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Annual Report 2014
Fakultät für Chemie
Technische Universität München
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3
Inhalt
Grußwort des Dekans .............................................................................................................. 5
Das Kollegium .......................................................................................................................... 6
Unsere Neuberufenen .............................................................................................................. 7
Forschungshighlights .............................................................................................................. 9
Anorganische und Analytische Chemie................................................................................... 9
Organische Chemie und Biochemie...................................................................................... 17
Physikalische und Theoretische Chemie............................................................................... 36
Technische Chemie .............................................................................................................. 42
Radiochemie und Pharmazeutische Chemie ........................................................................ 48
Lebensmittelchemie .............................................................................................................. 50
Institut für Wasserchemie und Chemische Balneologie ........................................................ 52
Publikationen nach Lehrstühlen und Arbeitsgruppen ......................................................... 58
Anorganische und Analytische Chemie................................................................................. 58
Organische Chemie und Biochemie...................................................................................... 67
Physikalische und Theoretische Chemie............................................................................... 82
Technische Chemie .............................................................................................................. 87
Radiochemie und Pharmazeutische Chemie ........................................................................ 92
Lebensmittelchemie .............................................................................................................. 94
Institut für Wasserchemie und Chemische Balneologie ........................................................ 95
Preise & Ehrungen .................................................................................................................. 97
Promotionspreise ................................................................................................................. 97
Auszeichnungen, Preise & Ehrungen .................................................................................... 99
Preise und Ehrungen unserer Alumni und Ehrenmitglieder ................................................. 100
Promotionen ......................................................................................................................... 102
Abschlüsse - Zahlen & Fakten ............................................................................................. 106
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Herausgeber:
Fakultät für Chemie
Technische Universität München
Dekan der Fakultät
Tel.: +49-(0)89-289-13000
Fax: +49-(0)89-289-14386
E-Mail: [email protected]
Lichtenbergstr. 4
D-85748 Garching b. München,
August 2015
www.ch.tum.de
Redaktion: Nathalie Rinne
Für den Inhalt der Beiträge sind die Autoren verantwortlich.
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Grußwort des Dekans
Liebe Kolleginnen und Kollegen,
liebe Leserinnen und Leser,
der Annual Report der Fakultät
für Chemie geht 2014 in die
zweite Runde. Auch dieses Jahr
freue ich mich sehr, Ihnen die Highlights unserer
Forschung zu präsentieren. 2014 war ein Jahr des
Wachstums. Wir haben exzellente junge Wissen-
schaftler mit dem TUM Tenure Track Berufungs-
& Karrieresystem für unsere Fakultät gewinnen
können. Zu diesem Anlass möchte ich Ihnen in
dieser Ausgabe neben unserem Kollegium insbe-
sondere unsere Neuzugänge vorstellen.
Unser Engagement in die Ausbildung unseres
wissenschaftlichen Nachwuchses hat sich eben-
falls bewehrt. Aktuell werden insgesamt ca. 1700
Studierende an der Fakultät für Chemie ausgebil-
det. Im Wintersemester 2014/15 begannen 320
Studienanfänger in unseren Bachelorstudiengän-
gen Chemie, Biochemie, Chemie-Ingenieurwesen
und Lebensmittelchemie. In 2014 haben wir 93
Promotionen begleitet, 184 Masterarbeiten und
Staatsexamen sowie 223 Bachelorarbeiten be-
treut. Darüber hinaus haben wir das internationale
Studienangebot mit den Masterstudiengängen
Industrial Chemistry (GIST-TUM Asia) und Nano-
science and Catalysis verstärkt.
Neu im Programm des Annual Reports ist eine
Zusammenstellung der Preise und Ehrungen un-
serer Fakultätsmitglieder und Alumni in 2014.
Mein Dank gilt auch dieses Jahr allen Mitglie-
dern/innen unserer Fakultät, die sich unermüdlich
und mit großem Einsatz für unsere Studierenden
und in der Lehre und der Forschung engagiert
haben. Ich freue mich auf die weitere Zusammen-
arbeit in 2015 und bedanke mich herzlich für Ihr
Interesse an unserer Arbeit.
Mit besten Grüßen,
Prof. Dr.-Ing. Kai-Olaf Hinrichsen
Dekan
Dear colleagues,
dear readers,
2014, the Annual Report of the Department of
Chemistry goes into the second round. I am very
pleased to present the research highlights of our
work groups to you again. For us, 2014 was a
year of growth. We have gained excellent young
scientists for our Department - all appointed after
the new appointment- and career-system TUM
Faculty Tenure Track. On this occasion I would
like to present in this edition in particular our new
members and their research areas.
Our commitment in the training of our students
and young scientists has proven itself. Currently
over 1700 students are studying at the Depart-
ment. In the WS 2014/15, over 320 students start
their bachelor's degree programs in chemistry,
biochemistry, chemical engineering and food
chemistry. In 2014, we have accompanied 93 PhD
theses, 184 master theses and state examinations
and 223 Bachelor theses. In addition, we have
strengthened our international study program by
the master program Industrial Chemistry (GIST-
TUM Asia) and Nanoscience and Catalysis.
A new chapter of the Annual Report is the as-
sortment of prizes and honors of the members
and alumni of our Department.
At this point, I would like to thank all members of
our Department for their tireless commitment for
our students and their time and enthusiasm for
teaching and research. I am looking forward to
continuing our successful cooperation and thank
you, dear reader, for your interest in our work.
Sincerely yours,
Prof. Dr.-Ing. Kai-Olaf Hinrichsen
Dean
6
Das Kollegium
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1 v.l.n.r.: Reihe 1: Prof. Dr. Thorsten Bach, Prof. Dr. Thomas Brück, Prof. Dr. Johannes Buchner, Prof. Thomas F. Fässler, Prof. Dr. Steffen Glaser
Reihe 2: Prof. Dr. Michael Groll, Prof. Dr. Sebastian Günther, Prof. Dr. Ulrich Heiz, Prof. Dr. Dr. h.c. mult. Wolfgang A. Herrmann, Prof. Dr.-Ing.
Kai-Olaf Hinrichsen, Prof. Dr. Lukas Hintermann
Reihe 3: Prof. Dr. Aymelt Itzen, Prof. Dr. Dr. h.c. Kessler, Prof. Dr. Klaus Köhler, Prof. Dr. Fritz E. Kühn, Prof. Dr. Johannes A. Lercher, Prof. Reinhard
Nießner
Reihe 4: Prof. Dr. Tom Nilges, Prof. Dr. Johann Plank, Prof. Dr. Bernd Reif, Prof. Dr. Karsten Reuter, Prof. Dr. Dr. h.c. Berhard Rieger, Prof. Dr.
Michael Sattler
Reihe 5: Prof. Dr. Peter Schieberle, Prof. Dr. Stephan A. Sieber, Prof. Dr. Konrad Tiefenbacher, Prof. Dr. Moniek Tromp, Prof. Dr. Sevil Weinkauf,
Prof. Dr. Hans-Jürgen Wester
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Unsere Neuberufenen
Die Fakultät für Chemie hat in 2014 exzellente
Verstärkung bekommen. Angefangen mit der
Berufung von Prof. Dr. Ville R. I. Kaila in 2013
konnten in 2014 mit Prof. Dr. Tobias A. M. Gul-
der, Prof. Dr. Kathrin Lang, Prof. Dr. Franz Hagn
und Prof. Dr. Corinna Hess vier weitere Nach-
wuchswissenschaftler für die Technische Uni-
versität München gewonnen werden. Sie alle
wurden im Rahmen des neuen Berufungs- und
Karrieresystems TUM Faculty Tenure Track be-
rufen. In 2013 and 2014, the Department of
Chemistry has received excellent reinforcement.
With the appointments of Prof. Dr. Ville Kaila,
Prof. Dr. Tobias Gulder, Prof. Dr. Kathrin Lang,
Prof. Dr. Franz Hagn and Prof. Dr. Corinna Hess
the Department of Chemistry won five young
scientists for the TUM. They all have been ap-
pointed after the new appointment- and career-
system TUM Faculty Tenure Track.
Prof. Dr. Ville R. I. Kaila
Professur für Computer-
gestützte Biokatalyse
(Berufung 10/2013)
Die Forschung von Prof. Kaila
(*1983) befasst sich mit der
Aufklärung der fundamentalen
molekularen Mechanismen
der Enzymkatalyse mit Fokus auf biologische
Energieumwandlungssysteme. Unter Anwen-
dung der neuesten Methodik der theoretischen
und computergestützten Biochemie, einschließ-
lich First-Principle quantenchemischer und
klassischer molekularer Simulationen, gewinnt
er einen Einblick in die Struktur, Energetik und
Dynamik der Biomoleküle. Assistant Profes-
sorship of Computational Biocatalysis (Ap-
pointment 10/2013) The reasearch of Prof. Kaila
(b.1983) is focused on elucidating fundamental
molecular mechanisms of enzyme catalysis with
emphasis on biological energy conversion sys-
tems. He employs state-of-the-art methodology
of Theoretical and Computational Biochemistry,
including first-principle quantum chemical and
classical molecular simulations to obtain insight
in the structure, energetics, and dynamics of
biomolecules. Of special interest for his
reasearch are proton-coupled electron transfer
(PCET) in the respiratory enzymes Complex I
(NADH: ubiquinone-oxidoreductase) and cyto-
chrome c oxidase, and mechanisms of light-
capture in biological photoreceptors and light-
driven ion pumps.
Prof. Tobias A. M. Gulder
Professur für
Biosystemchemie
(Berufung 03/2014)
Prof. Tobias Gulder (*1978) in-
teressiert sich für die Struktur,
Biosynthese und Synthese
bakterieller Naturstoffe. Dies
beinhaltet insbesondere die Aufklärung neuer
biosynthetischer Transformationen und deren
Anwendung in der biokatalytischen Natur-
stoffsynthese sowie die Manipulation von
Biosynthesewegen zur Erzeugung neuer Mole-
külstrukturen. Methodisch werden dazu orga-
nisch-synthetische, chemisch-analytische sowie
biochemische und molekularbiologische Ar-
beitstechniken kombiniert. Assistant Profes-
sorship of Biosystems Chemistry
(Appointment 03/2014) Prof. Tobias Gulder (b.
1978) is interested in the structure, biosynthesis
and synthesis of bacterial natural products. This
includes the elucidation of new biosynthetic
transformations and their application to the bio-
catalytic synthesis of natural products as well as
the manipulation of biosynthetic pathways to
generate new molecular structures. This is
achieved by combining organic synthesis,
chemical analytics, biochemical, and biomolecu-
lar methods.
Prof. Dr. Kathrin Lang
Professur für
Synthetische Biochemie
(Berufung 04/2014)
Prof. Lang (*1979) forscht auf
dem interdisziplinären Gebiet
der chemischen Biologie mit
der Zielsetzung, neue Metho-
den zur Erforschung biologischer Fragestellun-
8
gen zu entwickeln. Wissenschaftliche Schwer-
punkte liegen in der gezielten chemischen Syn-
these modifizierter Biomoleküle (Aminosäuren,
Proteine, Nukleotide und Oligonukleotide) und
deren anschließender Anwendung in in vitro und
in vivo Systemen, um komplexe zelluläre Pro-
zesse zu erforschen und zu manipulieren. As-
sistant Professorship Synthetic Biochemistry
(Appointment 04/2014) Prof. Lang (b. 1979)
conducts research in the interdisciplinary area of
chemical biology, applying concepts from or-
ganic chemistry to develop new tools to study
fundamental biological questions. Her research
focuses on the targeted chemical synthesis of
new artificial biomolecules (amino acids, pro-
teins, nucleotides, oligonucleotides) tailored to
investigate and manipulate complex cellular
processes in in vitro and in vivo biological sys-
tems.
Prof. Dr. Franz Hagn
Professur für Strukturelle
Membranbiochemie
(Berufung 10/2014)
Prof. Hagn (*1977) forscht auf
dem Gebiet der magnetischen
Kernresonanz Spektroskopie
(NMR) an Membranproteinen.
Diese Proteinklasse vermittelt die Signalweiter-
leitung und den Transfer von Proteinen und Me-
taboliten durch biologische Membranen. Die
Entwicklung und Etablierung von neuartigen
Membransystemen zum Studium der Struktur,
Dynamik und Interaktion von Membranproteinen
sind dabei essentiell, um diese Proteine in ihrer
nativen Umgebung zu studieren. Diese Techno-
logie wird in der Arbeitsgruppe an biologisch in-
teressanten Systemen angewendet, wie
mitochondriale Membraneproteine, G-Protein
gekoppelte Rezeptoren (GPCRs) und deren G-
Proteine, welche in Verbindung mit Stoff-
wechselerkrankungen, neurologischen Krank-
heiten und Krebs stehen. Assistant
Professorship Structural Membrane Bio-
chemistry (Appointment 10/2014) The research
of Prof. Hagn is focused on nuclear magnetic
resonance (NMR) spectroscopy of membrane
proteins. This protein class is essential for signal
transduction and the transfer of proteins and
small molecules across the biological membrane
barrier. The key to understanding these pro-
cesses is to study these systems in a native en-
vironment provided by a phospholipid bilayer.
These membrane mimics are being developed
and established in the lab and subsequently ap-
plied to biologically interesting systems like mi-
tochondrial membrane proteins, G-protein
coupled receptors (GPCRs) and their associated
G-proteins, which are involved in metabolic dis-
eases, neurological disorders and cancer. The
group investigates the structure, dynamics and
molecular interactions between membrane pro-
teins and their partners using mainly multidi-
mensional NMR spectroscopy, but also electron
microscopy, X-ray crystallography and a variety
of other biophysical and biochemical methods.
Prof. Dr. Corinna Hess
Professur für
Bioanorganische Chemie
(Berufung 10/2014)
Das Forschungsgebiet von
Prof. Hess reicht von anorga-
nischer Chemie bis zur Bio-
anorganik. Zentrale Themen
stellen die Koordinationschemie von syntheti-
schen Verbindungen und der Katalyse von bio-
logischen Systemen dar. Dabei finden vielfältige
synthetische und analytische Methoden aus der
Strukturchemie und Spektroskopie ihre Anwen-
dung. Ein Ziel ihrer Forschung ist die Entwick-
lung von neuen Katalysatoren für die Produktion
von Wasserstoff als alternativen Energieträger.
Assistant Professorship Bioinorganic Chem-
istry (Appointment 10/2014) The research of
Prof. Hess spans the areas of inorganic and bio-
inorganic chemistry. Central themes include the
coordination chemistry of synthetic and biologi-
cal systems, catalysis, and spectroscopic stud-
ies for structure elucidation. A key research area
centers on the development of bio-inspired in-
organic catalysts for multi-electron reactions, in-
cluding H2 production and O2 activation. These
small molecule transformations are central to life
and at the heart of renewable energy and sus-
tainable chemistry processes.
9
Forschungshighlights
Anorganische und Analytische Chemie
Lehrstuhl für Anorganische Chemie
Prof. Dr. Dr. h.c. mult. Wolfgang A. Herrmann (komm. Prof. Dr. Fritz E. Kühn)
Lehrstuhl für Anorganische Chemie mit Schwerpunkt Neue Materialien
Prof. Dr. Thomas F. Fässler
Lehrstuhl für Bauchemie
Prof. Dr. Johann Plank
Professur für Analytische Chemie
Prof. Dr. Michael Schuster
Professur für Molekulare Katalyse
Prof. Dr. Fritz E. Kühn
Professur für Strukturanalytik in der Katalyse
Prof. Dr. Moniek Tromp
Professur für Synthese und Charakterisierung Innovativer Materialien
Prof. Dr. Tom Nilges
10
Prof. Dr. Dr. h.c. mult. Wolfgang A. Herrmann (komm. Prof. Dr. Fritz. E. Kühn)
Lehrstuhl für Anorganische Chemie; Department Chemie & Catalysis Research Center;
Technische Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-13096/13081;
Fax: +49-(0)89-289-13183; E-Mail: [email protected] ([email protected]);
Web: http://aci.anorg.chemie.tu-muenchen.de
Zhong, R.; Pöthig, A.; Feng, Y.; Riener, K.; Herrmann, W. A.; Kühn, F. E.: Facile-prepared sulfonated wa-
ter-soluble PEPPSI-Pd-NHC-catalysts for aerobic aqueous Suzuki-Miyaura cross-coupling reactions.
Green Chem., 16, 2014, 4955-4962.
The Suzuki–Miyaura cross-coupling reaction is a widely used protocol for organic synthesis and the im-
plementation of this reaction in aqueous solution at room temperature using soluble Pd-NHC complexes
would significantly reduce the demand of energy and resources. Although a number of water-soluble
Pd-NHC catalysts for Suzuki–Miyaura cross-coupling reactions in water have been reported since 2005,
it remains a challenge to perform this reaction at room temperature. Four sulfonated water-soluble
PEPPSI-Pd-NHC complexes (2a–2d) have been prepared in a straightforward two-step synthesis by our
group. Their activities have been examined in Suzuki–Miyaura cross-coupling reactions in water under
air. Complex 2d, bearing a 2,6-diisopropylphenyl substituent, shows the best catalytic activity and a va-
riety of aryl bromides with a catalyst loading of 0.1 mol% can be efficiently activated even at room tem-
perature. The catalyst is recyclable and can be employed several times runs without significant loss in
performance.
11
Prof. Dr. Thomas F. Fässler
Lehrstuhl für Anorganische Chemie mit Schwerpunkt Neue Materialien; Department Chemie;
Technische Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-13131;
Fax: +49-(0)89-289-13186; E-Mail: [email protected]; Web: http://www.ch.tum.de/faessler/
Benda, C. B.; Waibel, M.; Fässler, T. F.: On the formation of intermetalloid clusters: Titanocen(III)diammin
as a versatile reactant towards nonastannide Zintl Clusters. Angew. Chem. Int. Ed., 54 (2), 2015, 522-
526. First published online: Oktober 21, 2014.
Bimetallic metal clusters play a versatile role in catalytic processes but form also molecular precur-
sors for the formation of metallic nanoparticles or meta-stable and thus highly reactive alloys. Ligand-
free clusters of tetrel elements are easily accessible in binary alloys in combination of alkali metals.
Most abundant among the so-called Zintl anions are deltahedral cluster anions that exclusively con-
sist of nine atoms and which are accessible in aprotic solvents.
Here we investigated the first time the reaction of nonastannide clusters with titanocene-dichloride in
liquid ammonia and found a fantastic sequence of compounds that give insight in the reactivity of pure
metal clusters with organometallic reactants. All compounds were characterized by single-crystal X-ray
diffraction methods. In the first step titanocene dichloride becomes reduced in liquid ammonia, and a
Ti(III) titanocene diammin complex is formed. Like the seeds of a blowball are distributed in the air, frag-
ments of transition-metal tin-cluster complexes are found in solution. Stepwise ligand exchange reac-
tions lead to a variety of intermediate TinSnm clusters that give insight in the formation of larger
intermetalloid clusters. Depending on the reaction conditions, clusters of eight and nine tin atoms are
captured and stabilized by Ti atoms. The largest isolated cluster contains 4 titanium and 15 tin atoms
with one Ti atom exclusively bound to ten Sn atoms.
12
Prof. Dr. Johann Plank
Lehrstuhl für Bauchemie; Department Chemie; Technische Universität München;
D-85748 Garching b. München; Tel.: +49-(0)89-289-13150; Fax: +49-(0)89-289-13152;
E-Mail: [email protected]; Web: http://www.bauchemie.ch.tum.de
Start of the Research Project on the
Effect of Microgravity on Early Cement Hydration in October 2014
Meier, M. R.; Rinkenburger, A.; Plank, J.: Results submitted for:
14th International Congress on the Chemistry of Cement (ICCC), October 13-16, 2015,
Beijing (China).
Ordinary Portland cement constitutes a mixture of different clinker phases (tricalcium silicate, dicalcium
silicate, tricalcium aluminate and calcium aluminateferrite). Addition of water to cement initiates the hy-
dration process. The hydration products present the anchoring sizes for cement admixtures. One of the
first products formed within a few seconds of hydration is ettringite. The influence of microgravity on the
early stage of cement hydration was studied in the presence and absence of chemical admixtures. Ce-
ment hydration experiments were performed over 10 s during parabolic flights and for comparison, the
experiments were carried out under normal gravity conditions. Four cement samples were tested. The
microgravity experiments revealed that under those conditions, generally smaller ettringite crystals but in
larger quanitiy are formed. Furthermore, the absence of convection leads to a slower crystal growth
which is diffusion limited. However, the aspect ratios of the ettringite crystals were quite comparable to
those obtained under terrestrial gravity conditions. This signifies that in the absence of convection, no
preference relative to the ion transport to the different faces of the crystals exists.
SEM images of ordinary Portland cement sample hydrated for 10 s under terrestrial (left) and zero gravity (rigth) conditions.
13
Prof. Dr. Michael Schuster
Professur für Analytische Chemie; Department Chemie; Technische Universität München;
D-84748 Garching b. München; Tel.: +49-(0)89-289-13763; Fax: +49-(0)89-289-14513;
E-Mail: [email protected]; Web: http://www.fganalytik.ch.tum.de
Hartmann, G.; Baumgartner, T.; Schuster, M.: Influence of Particle Coating and Matrix Constituents on
the Cloud Point Extraction Efficiency of Silver Nanoparticles (Ag-NPs) and Application for Monitoring the
Formation of Ag-NPs from Ag+. Analytical Chemistry, 86, 2014, 790-796.
Within the past few years, the emission, environmental effects, and fate of manufactured nanoparticles
(MNPs) have gained much interest due to their increasing production and application. Among these, na-
nosized silver particles (Ag-NPs) represent one of the most important groups of MNPs due to their broad
application and numerous reports of adverse effects. Unlike other analytes, Ag-NPs are not one com-
pound of known chemistry and constitution but usually involve a confusing diversity of particles with dif-
ferent sizes, morphologies, and surface coatings. For any method that is developed for the quantification
of Ag-NPs, it is therefore crucial to be selective not only toward one special kind of lab-made NPs with a
specified surface coating but to every kind of Ag-NPs that might be present in environmental samples. It
was demonstrated that cloud point extraction (CPE) is a promising tool that can be used to enrich a va-
riety of differently coated Ag-NPs with an extraction efficiency of 82−105%. The limit of detection of this
method is as low as 0.7 ng L−1 and allows for species selective ultra trace quantification of Ag-NPs even
in complex samples such as wastewater treatment plant (WWTP) influent and effluent. Even high con-
tents of common inorganic salts, colloids, or organic matter had little or no influence on the extraction.
14
Prof. Dr. Fritz E. Kühn
Professur für Molekulare Katalyse; Department Chemie & Catalysis Research Center;
Technische Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-13096/13477;
Fax: +49-(0)89-289-13183; E-Mail: [email protected]; Web: http://www.ch.tum.de/molcat
Schmidt, A.; Grover, N.; Zimmermann, T. K.; Graser, L.; Cokoja, M.; Pöthig, A.; Kühn, F. E.: Synthesis
and Characterization of Novel Cyclopentadienyl Molybdenum Imidazo(1,5-a)pyridine-3-ylidene Com-
plexes and their Application in Olefin Epoxidation Catalysis. J. Catal., 319, 2014, 119-126.
Catalytic oxidation chemistry plays a prominent role in current industrial chemistry. Oxidative processes
are the most important homogeneously catalyzed reactions on an industrial scale. It is therefore of inter-
est to serch for novel, cheap, efficient and recyclable oxidation catalysts. Inorganic and organometallic
molybdebum based complexes have been in the focus of research interest since some time. Cyclopen-
tadienyl molybdenum imidazo[1,5-a]pyridine-3-ylidene complexes, synthesized in our laboratories
proved to be highly versatile catalyst systems, placing them among the most active molybdenum epoxi-
dation catalysts known to date, with turnover frequencies > 50.000/h and a broad applicability for a vari-
ety of substrates.
The organometallic molybdenum compounds oft the type shown above as ORTEP-style X-ray structure
are straightforward to synthesize. The dicarbonyl compound shown above is an easy to handle catalyst
precursor that is transferred to the active species in the presence of oxidizing agent (that also is used to
catalytically oxidize the substrates) very quickly. The outstanding catalytic activities of these compounds
compared to closely related catalytic systems can be attributed to steric andelectronic effects such as
the strong -donating character of imidazo[1,5-a]pyridine-3-ylidenes and the high Lewis acidity of the
metal center in ist oxidized (and active) form. Additionally, the catalyst systems are easy to recycle and
can be applied many times.
15
Prof. Dr. Moniek Tromp
Professur für Strukturanalytik in der Katalyse; Department Chemie & Catalysis Research Center;
Technische Universität München; D-85748 Garching b. München; Tel.: +31 (0)6 2529 1839;
E-Mail: [email protected]; Web: http://www.cch.ch.tum.de
Bartlett, S. A.; Moulin, J.; Tromp, M.; Reid, G.; Dent, A. J.; Cibin, G.; McGuinness, D. S.; Evans, J.; Acti-
vation of [CrCl3{R-SN(H)S-R}] Catalysts for Selective Trimerization of Ethene: A Freeze-Quench Cr
K‑Edge XAFS Study. ACS Catalysis, 4, 2014, 4201-4204.
The industrially relevant ethylene oligomerisation reaction known for more than five decades is more
than ever of prime interest for both academic and industrial actors. The Cr success story started in the
1960s with ethylene polymerisation reactions to afford in the 1990s and 2000s highly selective catalysts
for trimerisation and tetramerisation reactions. This led to process development for linear alpha olefin
(LAO) production as 1-hexene or 1-octene used as comonomers in polyethylenes. However, exciting
questions raised from these discoveries as what oxidation states are involved in the selective and non-
selective catalytic cycles and how to switch from one mechanism to another and which intermediates
will promote alpha olefin formation versus side products. Answering these questions is crucial for com-
plex design and elucidation of chemical mechanisms.
In this paper, we have reported on the successful application of our novel stopped-flow methodologies
for mechanistic and spectroscopic studies in homogeneous catalysis. Using a combined UV-Vis and
XAS approiach we have been able to identify the activated species in industrial selective ethane trimeri-
sation Cr catalysts, i.e. Sasol’s Cr(SNS)Cl3 (with SNS = HN-(CH2CH2S-n-decyl)2), upon activation with al-
uminium reagent. The activation is shown to involve reduction from the Cr(III) starting complex to Cr(II)
and deprotonation of a NH group of the auxiliary SNS ligand. The four-coordinate metal center may act
as precursor for the coordination of ethene and subsequent selective oligomerization and thus suggests
a cationic Cr(II)/Cr(IV) catalytic cycle.
The Cr K-edge (left) Fourier transforms of k2-weighted EXAFS data for [Cr(SNS)Cl3] (5 mM in toluene) (blue) and after 1 second re-
action with AlMe3 (red). Inset: proposed four-coordinated Cr(II) intermediate.
Reprinted (adapted) with permission from Bartlett SA, Moulin J, Tromp M, Reid G, Dent AJ., Cibin G, McGuinness DS, Evans J:
“Activation of [CrCl3{R-SN(H)S-R}] Catalysts for Selective Trimerization of Ethene: A Freeze-Quench Cr K‑Edge XAFS Study”. ACS
Catalysis 2014; 4: 4201-4204. Copyright 2014 American Chemical Society.
16
Prof. Dr. Tom Nilges
Professur für Synthese und Charakterisierung Innovativer Materialien; Department Chemie;
Technische Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-13110; Fax:
+49-(0)89-289-13762; E-Mail: [email protected]; Web: http://www.acinnomat.ch.tum.de/startseite/
Köpf, M.; Eckstein, N.; Pfister, D.; Grotz, C.; Krüger, I.; Greiwe, M.; Hansen, T.; Kohlmann, H.; Nilges, T.:
Access and in situ Growth of Phosphorene-Precursor Black Phosphorus. J. Crystal Growth., 405, 2014,
6-8.
The exfoliated monolayer of orthorhombic black phosphorus gained reasonable interest in 2014 due to
the predicted and observed physical properties. Almost 100 papers emerged in 2014 dealing with all
kinds of property determination of this fascinating 2D material.
Large and pure single crystals of orthorhombic black phosphorus can be grown by a short way transport
reaction from red phosphorus and Sn/SnI4 as mineralization additive. Sizes up to several millimeters can
be realized with high crystal quality within minutes, making a large area preparation of single or multi-
layer phosphorene possible. The present Figure illustrates the 3D periodic structure of black phosphorus
and the 2D structure of the phosphorus monolayer, most physists call ‘phosphorene’. Despite some
structural similarities to graphene, the layered arrangement of phosphorus does not contain any double
bond and therefore ‘phosphorene’ is misleading, at least for a chemist.
An in situ neutron diffraction study has been performed addressing the formation of black phosphorus.
Black phosphorus is formed directly via gas phase without the occurrence of any other intermediate
phase. Crystal growth was initiated after cooling the starting materials down from elevated temperatures
at 500 °C.
Copyright 2014 Elsevier Limited The Boulevard,Langford Lane Kidlington,Oxford,OX5 1GB,UK. Reproduced with permission. DOI:
10.1016/j.jcrysgro.2014.07.029. http://www.sciencedirect.com/science/article/pii/S0022024814005314
17
Organische Chemie und Biochemie
Lehrstuhl für Biochemie
Prof. Dr. Michael Groll
Prof. Dr. Wolfgang Eisenreich
Dr. Sabine Schneider (TUM Junior Fellow)
Lehrstuhl für Biomolekulare NMR-
Spektroskopie
Prof. Dr. Michael Sattler
PD Dr. Sonja A. Dames
Dr. Tobias Madl (TUM Junior Fellow)
Lehrstuhl für Biotechnologie
Prof. Dr. Johannes Buchner
Lehrstuhl für Organische Chemie I
Prof. Dr. Thorsten Bach
Dr. Tanja Gulder (TUM Junior Fellow)
Lehrstuhl für Organische Chemie II
Prof. Dr. Stephan A. Sieber
Carl von Linde Senior Fellow –
TUM Istitute for Advanced Study (IAS)
Prof. Dr. Dr. h.c. Horst Kessler
Professur für Biosystemchemie
Prof. Tobias A. M. Gulder
Professur für Festkörper-NMR-Spektroskopie
Prof. Dr. Bernd Reif
Professur für Organische Chemie
Prof. Dr. Steffen Glaser
Professur für Organische Chemie
Prof. Dr. Lukas Hintermann
Juniorprofessur für Organische Chemie
Prof. Dr. Konrad Tiefenbacher
Professur für Proteinchemie
Prof. Dr. Aymelt Itzen
Professur für Strukturelle Membranbiochemie
Prof. Franz Hagn
18
Prof. Dr. Michael Groll
Lehrstuhl für Biochemie; Department Chemie; Technische Universität München;
D-85748 Garching b. München; Tel.: +49-(0)89-289-13361 (Sekretariat); Fax: +49-(0)89-289-13363;
E-Mail: [email protected]; Web: http://www.biochemie.ch.tum.de/
Dubiella, C.; Cui, H.; Gersch, M.; Brouwer, A. J.; Sieber, S. A.; Krüger, A.; Liskamp, R. M. J.; Groll, M.:
Selective Inhibition of the Immunoproteasome by Ligand-Induced Crosslinking of the Active Site. An-
gew. Chem. Int. Ed., 53 (44), 2014, 11969-11973.
The immune system functions as the body’s police force, protecting it from intruders like bacteria and v i-
ruses. However, in order to ascertain what is happening in the cell it requires information on the foreign
invaders. This task is assumed by so-called immunoproteasomes (iCP). These are cylindrical protein
complexes that break down the protein structures of the intruders into fragments that can be used by
the defense system. In this study, we synthesized and analyzed peptidic sulfonyl fluoride inhibitors that
selectively block the catalytic β5 subunit of the immunoproteasome without inducing cytotoxic effects.
Structural and mass spectrometric analyses revealed a novel reaction mechanism involving polarity in-
version and irreversible crosslinking of the proteasomal active site. We thus characterized the sulfonyl
fluoride headgroup for the development and optimization of immunoproteasome selective compounds
and their possible application in autoimmune disorders. Thus, target-specific iCP blockage of the pro-
teasome inhibitor in the nanomolar range along with low cytotoxicity broadens the therapeutic window
of the compound as potential future anti-inflammatory inhibitors.
Figure 1: Comparative X-ray analysis of the active site of subunit β5 after time dependent soaking experiments of yeast pro-
teasome crystals. A) Untreated apo structure with the active site triad K33 (green), D17 and unmodified T1 (yellow) of the catalyti-
cally active subunit β5. B) Aziridine-T1’ (yellow) formation on β5 after 2 h soaking time. The trajectory of the nucleophilic attack of
K33 (green) is shown as a pink dashed arrow. C) K33-T1’-crosslink (yellow) formation on subunit β5 after 6 h soaking time. D) Su-
perposition of the apo structure with unmodified T1 (gray), the aziridine-T1’ intermediate (I, yellow) and the K33-T1’-crosslink (II,
yellow).
19
Prof. Dr. Wolfgang Eisenreich
Lehrstuhl für Biochemie; Department Chemie; Technische Universität München;
D-85748 Garching b. München; Tel.: +49-(0)89-289-13336; Fax: +49-(0)89-289-13363;
E-Mail: [email protected]; Web: http://www.biochemie.ch.tum.de/
Peña-Rodríguez, L. M.; Yam-Puc, A.; Knispel, N.; Schramek, N.; Huber, C.; Graßberger, C.; Ramírez-
Torres, F. G.; Escalante-Erosa, F.; García-Sosa, K.; Hiebert-Giesbrecht, M. R.; Chan-Bacab, M. J.; Go-
doy-Hernández, G.; Bacher, A.; Eisenreich, W.: Isotopologue profiling of triterpene formation under phy-
siological conditions. Biosynthesis of lupeol-3-(3'-R-hydroxy)-stearate in Pentalinon andrieuxii. J. Org.
Chem., 79, 2014, 2864-2873.
The biosynthesis of the triterpenoid lupeol-3-(3'R-hydroxy)-stearate (procrim b) was studied in the Mexi-
can medicinal plant Pentalinon andrieuxii by 13CO2 pulse-chase experiments. With our results, the bio-
synthetic origin of a plant triterpene could be directly determined for the first time, notably in whole
plants under undisturbed physiological conditions.
The compound was purified from the stems of the 13C-labeled plant. High-resolution NMR and MS anal-
yses showed positional enrichments of 13C2-isotopologues in both the triterpenoid and the hydroxystea-
rate moieties. Five of the six isoprene units reflected a pattern with [1,2-13C2]- and [3,5-13C2]-
isotopologues from the respective C5-precursors, IPP and DMAPP, whereas one isoprene unit showed
only the [3,5-13C2]-connectivity of the original C5-precursor, due to rearrangement of the dammarenyl
cation intermediate during the cyclization process. The presence of 13C2-isotopologues was indicative of
[13C2]acetyl-CoA being the precursor units in the formation of the fatty acid moiety and of the triterpene
via the mevalonate route. The non-mevalonate pathway via 1-deoxyxylulose 5-phosphate did not con-
tribute to the biosynthetic process. The observed labeling pattern was also in agreement with a chair-
chair-chair-boat conformation of the (S)-2,3-oxidosqualene precursor during the cyclization process,
suggesting that the lupeol synthase from P. andrieuxii is of the same type as that from Olea europea and
Taraxacum officinale, but different from that of Arabidopsis thaliana. The study showed that 13CO2 pulse-
chase experiments are powerful in elucidating, under in vivo conditions and in a single experiment, the
biosynthesis of complex plant products including higher terpenes. The method is powerful in evaluating
any novel natural products from plants as well as in studying the metabolic crosstalk between organisms
in multi-organismic systems, such as in lichens and arbuscular mykorrhiza.
20
Dr. Sabine Schneider
Lehrstuhl für Biochemie; TUM Junior Fellow – Liebig-Stipendium „Strukturbiologie“; Department
Chemie; Technische Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-13336;
Fax: +49-(0)89-289-13363; E-Mail: [email protected]
Web: http://www.biochemie.ch.tum.de/index.php?id=927
Flügel, V.; Vrabel, M.; Schneider, S.: Structural basis for the site-specific incorporation of lysine deriva-
tives into proteins. PLOS One, 9 (4), 2014, e96198.
Posttranslational modifications (PTMs) of proteins determine their structure-function relationships, inter-
action partners, as well as their fate in the cell and are crucial for many cellular key processes. For in-
stance chromatin structure and hence gene expression is epigenetically regulated by acetylation or
methylation of lysine residues in histones, a phenomenon known as the ‘histone code’. Recently it was
shown that these lysine residues can furthermore be malonylated, succinylated, butyrylated, propio-
nylated and crotonylated, resulting in significant alteration of gene expression patterns. However the
functional implications of these PTMs, which only differ marginally in their chemical structure, are not yet
understood.
Therefore generation of proteins containing these modified amino acids site specifically is an important
tool. In the last decade methods for the translational incorporation of non-natural amino acids using or-
thogonal aminoacyl-tRNA synthetase (aaRS):tRNAaaCUA pairs were developed. A number of studies
show that aaRS can be evolved to use non-natural amino acids and expand the genetic code. Neverthe-
less the wild type pyrrolysyl-tRNA synthetase (PylRS) from Methanosarcina mazei readily accepts a
number of lysine derivatives as substrates. This enzyme can further be engineered by mutagenesis to
utilize a range of non-natural amino acids. Here we present structural data on the wild type enzyme in
complex with adenylated ε-N-alkynyl-, ε-N-butyryl-, ε-N-crotonyl- and ε-N-propionyl-lysine providing in-
sights into the plasticity of the PylRS active site. This shows that given certain key features in the non-
natural amino acid to be incorporated, directed evolution of this enzyme is not necessary for substrate
tolerance.
Surface representation of the binding pockets of PylRS with pyrrolysine (grey) and ε-N-alkynyl-lysine (orange).
21
Prof. Dr. Michael Sattler
Lehrstuhl für Biomolekulare NMR-Spektroskopie; Department Chemie & Bayerisches NMR Zentrum;
Technische Universität München; D-84748 Garching b. München; Institute of Structural Biology,
Helmholtz Zentrum München; 85764 Neuherberg; Tel: +49-(0)89-289-13418; Fax: +49-(0)89-289-13869;
E-Mail: [email protected]; Web: http://www.nmr.ch.tum.de, http://www.bnmrz.org
Hennig, J.; Militti, C.; Popowicz, G. M.; Wang, I.; Sonntag, M.; Geerlof, A.; Gabel, F.; Gebauer, F.; Sattler,
M.: Structural basis for the assembly of the Sxl–UNR translation regulatory complex. Nature., 515, 2014,
287-290.
Genetic information of DNA is translated in several steps into proteins. In an intermediate step of this
protein synthesis the mes-senger RNA is transcribed from the DNA. Regulation of gene expression by
binding of RNA binding proteins (RBPs) to cis regulatory elements in the mRNA plays essential roles in
the regulation of gene expression.
Dosage compensation for the expression of X-linked genes in Drosophila melanogaster involves the re-
pression of mRNA translation by the cooperative binding of two RBPs, SXL and Upstream-of-N-Ras
(UNR), to msl-2 mRNA. This involves the formation of a ternary complex of the two RBPs with RNA,
which increases the affinity to the target mRNA 1000-fold. A crystal structure of the ternary complex,
combined with NMR spectroscopy and small angle experiments reveals the molecular basis for this in-
teractions. The structure serves as a paradigm for how general RNA binding domains expand the pro-
tein-RNA recognition code by acting together. Similar principles of cooperative RNA binding involving
multiple RBPs are expected to play crucial roles for the regulation of human gene expression.
Copyright 2014 Nature Publishing Group Nature 515, 287–290 (13 November 2014) DOI:10.1038/nature13693
22
PD Dr. Sonja A. Dames
Lehrstuhl für Biomolekulare NMR-Spektroskopie; Department Chemie; Technische Universität Mün-
chen, D-85747 Garching b. München; Tel.: ++49-(0)89-289-13292; Fax: ++49-(0)89-289-13869; E-Mail:
[email protected]; Web: http://www.nmr.ch.tum.de/home/dames
Sommer, L. A. M.; Dames, Sonja A.: Characterization of residue-dependent differences in the peripheral
membrane association of the FATC domain of the kinase ‘target of rapamycin’ by NMR and CD spec-
troscopy, FEBS Lett., 588 (9), 2014, 1755-1766.
Sommer, L. A. M.; Bennett, D.; Janke, J.; Bürck, J.; Ulrich, A. S.; Tieleman, P.; Dames, S. A.: Characteri-
zation of the immersion properties of the peripheral membrane anchor of the FATC domain of the kinase
‘target of rapamycin’ by NMR, oriented CD spectroscopy and MD simulations. J. Phys. Chem. B., 118
(18), 2014, 4817-4831.
The serine-threonine kinase target of rapamycin (TOR) forms two functionally different multiprotein com-
plexes that have been reported to be involveld in more than 700 reactions. One way to omit interference
between different signaling branches is to spatially separate them, for example by localization to specific
cellular membrane patches. Based on earlier studies by us, the C-terminal FATC domain of TOR may
funtion as a redox-sensitive membrane anchor. In the most recent publications we analyzed which ami-
no acid residues are important for binding to membranes and may thus be mutagenized to study the in-
fluence on TOR localization in vivo and defined in collaboration with groups from the university of
Calgary and the KIT in more detail the immersion depth and orientation in membrane mimetics.
Tharun, I. M.; Nieto, L.; Haase, C.; Scheepstra, M.; Balk, M.; Möcklinghoff, S.; Adriaens, W.; Dames, S.
A.; Brunsveld, L.: Subtype-Specific Modulation of Estrogen Receptor–Coactivator Interaction by Phos-
phorylation. ACS Chem. Biol., 10 (2), 2015, 475–484. First published November 03, 2014.
Besides membrane localization, posttranslational
modifications are another important tool for the regula-
tion of signaling proteins and transcriptional factors. In
collaboration with the group of Prof. Luc Brunsveld
from the TU Eindhoven we analyzed the influence of
phosphorylation in the C-terminal end of the ligand
binding domain of estrogen receptor (ER) and on
the dynamics of this region and the affinity for coacti-
vators. The data showed that phosphorylation has a
subtype specific effect and that ER can independently of estrogen binding control the regulation of tar-
get genes. Copyright 2014 ACS Publications. Reproduced with permission. http://pubs.acs.org/doi/abs/10.1021/jp501533d &
http://pubs.acs.org/doi/abs/10.1021/cb5007097
23
Dr. Tobias Madl
Lehrstuhl für Biomolekulare NMR-Spektroskopie; TUM Junior Fellow - BioSysNet & Emmy Noether
Nachwuchsgruppe „Structural Biology of Signal Transduction“; Department Chemie; Technische
Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-13864; Fax: +49-(0)89-289-
13869; E-Mail: [email protected]; Web: https://www.madllab.ch.tum.de
Karagöz, G. E.; Duarte, A. M. S.; Akoury, E.; Ippel, H.; Biernat, J.; Luengo, T. M.; Radli, M.; Didenko, T.;
Nordhues, B. A.; Veprintsev, D. P.; Dickey, C.; Mandelkow, E.; Zweckstetter, M.; Boelens, R.; Madl, T.
(co-corresponding author); Rüdiger, S. G. D.: Hsp90-Tau complex reveals molecular basis for specificity
in chaperone action. Cell, 156, 2014, 963-974.
Protein folding in the cell is controlled by conserved families of molecular chaperones. Crucial for the
chaperone network in the cytoplasm are the ATP-driven Hsp70 and Hsp90 families. Both are complex
systems that are controlled by cochaperones. One of the central questions in protein folding is how and
when each of the chaperones assists the folding of a newly born protein in the cell. Hsp70 chaperones
recognize short hydrophobic sequences particularly enriched in leucine and are thought to interact with
substrate proteins in the early stages of the folding path. In contrast, Hsp90 acts during late folding
stages, especially with proteins involved in signal transduction. However, the substrate pool of Hsp90
does not share a common sequence or structural motif. Interestingly, Hsp90 also interacts with some in-
trinsically disordered proteins, including the microtubule-associated protein Tau. The molecular basis for
Hsp90 interaction with Tau, however, is enigmatic. Tau is unfolded in its native conformation, which
challenges the paradigm that chaperones support protein folding and maturation.
By combining a novel NMR approach with small-angle X-ray scattering (SAXS), we obtained a structural
model of Hsp90 in complex with the Tau protein. A unique, extended binding interface in Hsp90 binds to
Tau. Complementary, Hsp90 recognizes a broad region that includes the aggregation-prone repeats in
Tau. The long binding site predisposes Hsp90 to provide many low-affinity contacts and hydrophobic
residues as they scatter over the outer sphere of late folding intermediates. Thereby, Hsp90 can profit
from the compaction that takes place in the early folding stages, after which Hsp70 sites are already
buried. Our model resolves the paradox on how Hsp90 specifically selects for late folding intermediates
but also some intrinsically disordered proteins - through the eyes of Hsp90 they look the same.
24
Prof. Dr. Johannes Buchner
Lehrstuhl für Biotechnologie; Department Chemie,Technische Universität München; D-85748 Garching
b. München; Tel.: +49-(0)89-289-13340; Fax: +49-(0)89-289-13345; E-Mail: [email protected];
Web: http://www.ch.tum.de/biotech
Zierer, B. K.; Weiwad, M.; Rübbelke, M.; Freiburger, L.; Fischer, G.; Lorenz, O. R.; Sattler, M.; Richter, K.;
Buchner, J.: Artificial accelerators of the molecular chaperone Hsp90 facilitate rate-limiting conforma-
tional transitions. Angew Chem Int Ed Engl, 53, 2014, 12257-12262.
The molecular chaperone protein Hsp90 is an important regulator of the conformation and activity of cel-
lular proteins. It is an ATP-dependent molecular machine consisting of two identical subunits that un-
dergo large structural changes during the catalytic cycle. Because of its special importance in cancer
cells, it has become an important target for therapy. To this end, chemical compounds were identified
which target the ATP-binding site as competitive inhibitors. Inhibition of Hsp90 leads to cell death. With
a view to identify novel chemical entities that bind to Hsp90 and affect its function by a different mecha-
nism, we used a FRET assay in which the two subunits of Hsp90 are labelled with donor- und acceptor
dyes. Upon ATP addition, a FRET signal is generated. We used this reaction to screen a library of rough-
ly 10,000 compounds and identified several hits which affected the conformational change as indicated
by differences in the FRET signal.
The subsequent analysis via biochemical assays and NMR spectroscopy revealed that some com-
pounds accelerate the rate-limiting conformational transitions and thus the ATPase activity of Hsp90. In-
terestingly, the binding site it located apart from the site where ATP binds. Thus an allosteric modulator
of Hsp90 function was identified. When this compound was tested on cells, it could be shown that the
acceleration of Hsp90 is detrimental for its in vivo function. These findings suggest that the precise tim-
ing of the conformational cycle is of importance for biological activity. These findings open new avenues
for the pharmacological intervention of Hsp90 in the context of disease.
25
Prof. Dr. Thorsten Bach
Lehrstuhl für Organische Chemie I; Department Chemie & Catalysis Research Center;
Technische Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-13330;
Fax: +49-(0)89-289-13315; E-Mail: [email protected]; Web: http://www.oc1.ch.tum.de
Maturi, M. M.; Bach, T.: Enantioselective Catalysis of the Intermolecular [2+2] Photocycloadition be-
tween 2-Pyridones and Acetylenedicarboxylates. Angew. Chem. Int. Ed., 53, 2014, 7661-7664.
The challenge in the enantioselective catalysis of an intermolecular reaction is to control the spatial envi-
ronment of three reaction components, i.e. of the catalyst, the substrate and its reaction partner. Due to
the short-lived nature of the excited state the enantioselective catalysis of an intermolecular photochem-
ical reaction adds yet another layer of complexity to this issue. With chiral xanthone catalyst 1 a strong
substrate-catalyst complex binding was achieved, which provides a defined chiral environment for the
substrate to react from its relatively short-lived electronically excited state. The latter state is likely popu-
lated by sensitization and subsequently reacts with the acetylenedicarboxylate.
When screening for ideal reaction conditions, we found that irradiation with a wavelength of = 366 nm
at low temperature (65 °C) and a remarkable low catalyst loading of 2.5-5 mol% was sufficient for full
conversion, depending on the substrate concentration (c = 15-20 mM). Under the optimized reaction
conditions parent 2-pyridone and various methyl-substituted 2-pyridones were employed as were sev-
eral symmetrical dialkyl acetylenedicarboxylates as reaction partners. The corresponding cyclobutene
photoproducts, which result from the addition of the acetylenedicarboxylate to the 5,6-double bond of
the pyridone moiety, were obtained in yields up to 88% and – for the first time for a triplet-sensitized in-
termolecular [2+2] photocycloaddition – with excellent enantioselectivities of up to 92% ee.
26
Dr. Tanja Gulder
Lehrstuhl für Organische Chemie I; TUM Junior Fellow; Emmy-Noether-Nachwuchsgruppe
“Halogenchemie”; Department Chemie; Technische Universität München; D-85748 Garching b.
München; Tel.: +49-(0)89-289-14591; E-Mail: [email protected];
Web: http://www.halogene.ch.tum.de
Stodulski, M.; Goetzinger, A.; Kohlhepp, S. V.; Gulder, T.: Halocarbocyclization versus dihalogenation:
substituent directed iodine(III) catalyzed halogenations. Chem.Commun., 50, 2014, 3435-3438.
A clear correlation between the nucleophilicity of the ortho substituents in iodobenzene pre-catalysts
and the chemoselectivity in iodine(III) triggered halogenation reactions has been observed. This decisive
impact of the iodobenzene structure is closely connected to the trans effect exhibited by the nearly line-
ar disposed ligands at the iodine atom in the in-situ formed iodine(III) species. Already subtle variations
of the electronic properties in the periphere of the catalyst lead not only to an enhanced reaction rate but
also significantly influence the mechanism and thus the outcome of the reaction, shifting the course of
the transformation from halocarbocyclizations (left) to dihalogenations (right).
Exploiting this catalyst-dependent reactivity has led to the development of a reliable, easy to handle, and
safe catalytic anti-selective dibromination and dichlorination method, which avoids the direct application
of hazardous molecular bromine and chlorine. Under the described conditions, a multitude of different
unsaturated compounds (37 examples) were efficiently converted. These substrates range from simple
alkenes, like, e.g., cyclohexene, to structurally highly complex molecules, such as cholesterol. Electron-
poor and thus deactivated olefins as well as alkynes were also easily transformed, the latter affording
selectively trans-alkenes.
Reproduced with permission of the The Royal Society of Chemistry. DOI: 10.1039/c3cc49850f.
http://pubs.rsc.org/en/content/articlepdf/2014/cc/c3cc49850f
27
Prof. Dr. Stephan A. Sieber
Lehrstuhl für Organische Chemie II; Department Chemie & Center for Integrated Protein Science
Munich (CIPSM); Technische Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-
13302; Fax: +49-(0)89-289-13319; E-Mail: [email protected]; Web: http://www.oc2.ch.tum.de
Nodwell, M. B.; Koch, M. F.; Alte, F.; Schneider, S.; Sieber, S. A.: A Subfamily of Bacterial Ribokinases
Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage. J. Am. Chem. Soc., 136, 2014, 4992–4999.
Pyridoxal 5′-phosphate (PLP) is the active vitamer of vitamin B6 and acts as an essential cofactor in
many aspects of amino acid and sugar metabolism. The virulence and survival of pathogenic bacteria
such as Mycobacterium tuberculosis depend on PLP, and deficiencies in humans have also been asso-
ciated with neurological disorders and inflammation. While PLP can be synthesized by a de novo path-
way in bacteria and plants, most higher organisms rely on a salvage pathway that phosphorylates either
pyridoxal (PL) or its related vitamers, pyridoxine (PN) and pyridoxamine (PM). PL kinases (PLKs) are es-
sential for this phosphorylation step and are thus of major importance for cellular viability. We recently
identified a pyridoxal kinase (SaPLK) as a target of the natural product antibiotic rugulactone (Ru) in
Staphylococcus aureus. Surprisingly, Ru selectively modified SaPLK not at the active site cysteine, but
on a remote cysteine residue. Based on structural and biochemical studies, we now provide insight into
an unprecedented dual Cys charge relay network that is mandatory for PL phosphorylation. The key
component is the reactive Cys 110 residue in the lid region that forms a hemithioactetal intermediate
with the 4′-aldehyde of PL. This hemithioacetal, in concert with the catalytic Cys 214, increases the nu-
cleophilicity of the PL 5′-OH group for the inline displacement reaction with the γ-phosphate of ATP. A
closer inspection of related enzymes reveals that Cys 110 is conserved and thus serves as a characteris-
tic mechanistic feature for a dual-function ribokinase subfamily herein termed CC-PLKs.
Reprinted with permission from MB Nodwell, MF Koch, F Alte, S Schneider, SA Sieber, JACS, 2014, 136(13), 4992-4999. Copy-
right 2014 American Chemical Society.
28
Prof. Dr. Dr. h.c. Horst Kessler
Carl von Linde Senior Fellow am TUM Institute for Advanced Study (IAS); Department Chemie;
Technische Universität München; D-85748 Garching b. München; Tel.: ++49-(0)89-289-13300 oder
-10678; Fax: ++49-(0)89-289-13210; E-Mail: [email protected];
Web: http://www.org.chemie.tu-muenchen.de/akkessler/
Marelli, U. K.; Bezençon, J.; Puig, E.; Ernst, B.; Kessler, H.: Enantiomeric cyclic peptides with different
Caco-2 permeability suggest carrier-mediated transport. Chem. Eur. J., 21, 2015: just accepted.
Achieving oral bioavailability in peptides is still a bottleneck in successful peptide-based drug design.
The conventional Lipinski’s “rule of 5” and Veber rules to predict the drug likeliness of small molecules
fail when applied for peptides. Recently, it was highlighted that oral absorption of cyclic hexapeptides is
a result of the N-methylation of the solvent exposed backbone amides. However, in our studies, the
number and position of N-methylations or of solvent exposed NHs did not correlate to intestinal perme-
ability, measured in a Caco-2 model. Hence, elucidation of the pathway by which peptides cross the in-
testinal epithelia is indispensable.
In our studies on enantiomeric pairs of three polar and two lipophilic peptides, all the enantiomeric pep-
tides exhibited identical lipophilicity (logD7.4) and passive transcellular permeability determined by the
parallel artificial membrane permeability assay (PAMPA). However, the enantiomeric polar peptides ex-
hibited different Caco-2 permeability (Papp) in both directions ab and ba. The same trend was ob-
served for one of the lipophilic peptide, whereas the second lipophilic enantiomer pair showed identical
Caco-2 permeability. These findings provide the first evidence for the involvement of carrier-mediated
transport for peptides, especially for those of polar nature.
The picture shows the differential per-
meability of mirror image peptide con-
formations across intestinal epithelium,
suggesting for carrier-mediation.
The picture shows that excluding sol-
vent exposed NHs by N-methylation
need not necessarily lead to intestinal
permeability in peptides. High permea-
bility: blue; Low permeability: red.
29
Prof. Dr. Tobias A. M. Gulder
Professur für Biosystemchemie; Department Chemie & Center for Integrated Protein Science Munich
(CIPSM); Technische Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-13833;
E-Mail: [email protected]; Web: http://www.biosystemchemie.ch.tum.de
Antosch J.; Schaefers F.; Gulder T. A. M.: Heterologous Reconstitution of Ikarugamycin Biosynthesis
in E. coli. Angew. Chem. Int. Ed., 53, 2014, 8286-8293.
Polycyclic tetramate macrolactams (PTMs) are a family of biomedically promising natural products with
challenging molecular frameworks. Despite these interesting properties, so far only relatively little is
known about the biosynthetic origin of PTMs, in particular concerning the mechanism by which their
carbacyclic ring systems are formed. Within this paper, we present the first insights into these processes
by using the biosynthesis of ikarugamycin as an example. The unique bacterial biosynthetic assembly
line process manufacturing these fascinating molecules was elucidated, showing that they are formed by
action of only three biosynthetic proteins. The carbacyclic ring systems are thereby constructed by un-
precedented hydride-induced cylization biochemistry orchestrated by two dedicated reductive enzymes.
This work was facilitated by the first heterologous expression of a PTM biosynthetic gene cluster in E.
coli. With this approach it will now not only become possible to mechanistically investigate already
known PTM biosynthetic pathways in more detail, but also to interrogate cryptic PTM biosynthetic
pathways chemically and biochemically.
Figure. The tetramic acid core structure of PTMs is assembled by an iterative polyketide/non-ribosomal-peptide hybrid enzyme
(red; individual catalytic domains: KS = keto synthase, AT = acyl transferase, DH = dehydratase, KR = ketoreductases, C = con-
densation domain, A = adenylation domain, TE = thioesterase). Subsequent cyclization by Diels-Alder reaction and two hydride in-
duced C,C-bond-forming events catalyzed by an FAD dependant oxidoreductase (green) and an alcohol dehydrogenase (blue)
complete ikarugamycin biosynthesis.
Copyright 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. Reproduced with permission. DOI: 10.1002/anie.201310641.
http://onlinelibrary.wiley.com/doi/10.1002/anie.201310641/abstract
30
Prof. Dr. Bernd Reif
Professur für Festkörper-NMR-Spektroskopie; Department Chemie; Technische Universität
München; D-85748 Garching b. München; Tel.: +49-(0)89-289-13667; E-Mail: [email protected];
Web: http://www.ocb.ch.tum.de
Lopez del Amo, J. M.; Agarwal, V.; Sarkar, R.; Porter, J.; Asami, S.; Rübbelke, M.; Fink, U.; Lange, O. F.;
Reif, B.: Site-specific analysis of heteronuclear NOE effects in microcrystalline proteins. J. Biomol.
NMR., 59, 2014, 241-249.
Relaxation parameters such as longitudinal relaxation are susceptible to artifacts such as spin diffusion,
and can be affected by paramagnetic impurities as e.g. oxygen, which make a quantitative interpretation
difficult. We present here the site-specific measurement of [1H]13C and [1H]15N heteronuclear NOE rates
in a protein. For methyls, a strong effect is expected due to the three-fold rotation of the methyl group.
Quantification of the [1H]13C heteronuclear NOE in combination with 13C-R1 can yield a more accurate
analysis of side chain motional parameters. The observation of significant [1H]15N heteronuclear NOEs for
certain backbone amides, as well as for specific asparagine/glutamine sidechain amides is consistent
with MD simulations. The measurement of site-specific heteronuclear NOEs is enabled by the use of
highly deuterated microcrystallin protein samples in which spin diffusion is reduced in comparison to
protonated samples.
31
Prof. Dr. Steffen Glaser
Professur für Organische Chemie; Department Chemie; Technische Universität München;
D-85748 Garching b. München; Tel.: +49-(0)89-289-13759; E-Mail: [email protected];
Web: http://www.org.chemie.tu-muenchen.de/glaser/
Schilling, F.; Warner, L. R.; Gershenzon, N. I.; Skinner, T. E.; Sattler, M.; Glaser, S. J.: Next-Generation
Heteronuclear Decoupling for High-Field Biomolecular NMR Spectroscopy. Angew. Chem. Int. Ed., 53,
2014, 4475-4479.
The development of ultra-high-field NMR spectrometers with proton frequencies of more than one Giga-
hertz provides new opportunities to investigate the structure and dynamics of complex biomolecules.
However, their strong magnetic fields also require a new generation of pulse sequences to cover the in-
creased spectral width. This is especially a problem for heteronuclear decoupling sequences, for which
the pulse power is not only limited by the available amplifiers but also by detrimental sample heating ef-
fets during long irradiation periods. Broadband decoupling sequences are an indispensible tool of mod-
ern NMR spectroscopy because they effectively switch off couplings between nuclear spins, resulting in
larger signals and simplified spectra. The group of Steffen Glaser has developed a new generation of ex-
tremely efficient decoupling sequences that are broadband, require minimal radiofrequency power and
generate ultra-low sidebands. These so-called BUSS (Broadband Uniform Sideband Suppression) se-
quences were derived using optimal control theory free from the constraints of conventional periodic
and cyclic sequences.
In close collaboration with the group of Michael Sattler, it was demonstrated that this novel approach
provides greatly improved decoupling performance that satisfies the demands of current and future
high-field biomolecular NMR spectroscopy. The figure on the left shows a time-frequency representation
of the first five milli seconds of the BUSS decoupling sequence. Radiofrequency irradiation is closely re-
stricted to the desired decoupling bandwidth between -25 kHz and +25 kHz of the irradiated spin. The
figure on the right shows that in this offset range, the doublet of the observed spin (horizontal frequency
axis) is collapsed to a clean singlet with twice the amplitude.
32
Prof. Dr. Lukas Hintermann
Professur für Organische Chemie; Department Chemie; Technische Universität München;
D-85748 Garching b. München; Tel.: +49-(0)89-289-13699; Fax: +49-(0)89-289-13669;
E-Mail: [email protected]; Web: http://www.oca.ch.tum.de
Maltsev O. V.; Nath N. K.; Naumov P.; Hintermann L.: Why is Firefly Oxyluciferin a Notoriously Labile
Substance?. Angew. Chem., 126, 2014, 866-869; Angew. Chem. Int. Ed., 53, 2014 847-850.
The bioluminescence of the firefly is a fascinating phenomenon. Investigations of the chemistry behind
the cold light emission go back for centuries, but a breakthrough of understanding became only possible
from the 1960s onward. Basic research in the 1960s and 1970s revealed the structure of the light pro-
ducing molecule, the firefly luciferin (1), and the luminous reaction: oxidation of 1 with oxygen, catalyzed
by the enzyme luciferase, generates oxyluciferin (2) in its excited state, which then emits light.
HO
N
S
S
N O
HO
N
S
S
N CO2H
Firefly Luciferin (1)
Oxyluciferin (2)
HO
N
S
S
N OH
HO
N
S S
HN
O
Bisoxyluciferin (3)
Top left: female firefly in the dark. Bottom left: male firefly (front/back). Right: fluorescence of a solution of synthetic oxyluciferin (2)
in the solvent DMSO. The blue color changes to green upon dilution in water. Image credits: L. Hintermann
The nature and reported properties of oxyluciferin (2) are peculiar: in spite of its seemingly simple struc-
ture, the compound was impossible to isolate in the pure state from natural sources, and could be syn-
thesized in the laboratory only with difficulty. Once obtained, it was found to be highly unstable and
sensitive to oxygen; purification attempts invariably led to its decomposition.
We have now improved the synthesis of firefly oxyluciferin (2) and studied its solution chemistry. The key
to understanding of the peculiar nature of oxyluciferin was the quantification of its keto-enol equilibirum,
and the identification of a dimerization reaction leading to bisoxyluciferin (3), whose structure was eluci-
dated by NMR spectroscopy and X-ray methods. The oxygen sensitivity of 2 was disproved. Our work
has opened the way for in depth spectroscopic studies clarifying events of the light producing process.
Reference: "Why is Firefly Oxyluciferin a Notoriously Labile Substance?" DOI: 10.1002/ange.201307972.
http://onlinelibrary.wiley.com/doi/10.1002/ange.201307972/abstract
33
Prof. Dr. Konrad Tiefenbacher
Juniorprofessur Organische Chemie; Department Chemie; Technische Universität München;
D-85748 Garching b. München; Tel.: +49-(0)89-289-13332; Fax: +49-(0)89-289-13315;
E-Mail: [email protected]; Web: http://www.oc8.ch.tum.de/
Zhang, Q.; Tiefenbacher, K.: Terpene cyclization catalyzed inside a self-assembled cavity. Nature
Chem., 7, 2015, 197-202. Received September 15, 2014
In nature, complex terpene natural products are formed by the so-called tail-to-head terpene (THT) cyli-
zation from geranyl-PP, farnesyl-PP or geranylgeranyl-PP (PP = pyrophosphate). The cationic reaction
cascade is efficiently promoted in complex enzyme pockets, where cationic intermediates and transition
states are stabilized.
In solution, the reaction is hard to control and man-made catalysts able to perform selective THT cycli-
zations are lacking. We reported the first example of a successful THT cyclization inside a supramolecu-
lar structure. The basic mode of operation in cyclase enzymes is successfully mimicked and a catalytic
non-stop THT cyclization was achieved with geranyl acetate as substrate. The results presented have
implications for the postulated reaction mechanism in cyclase enzymes. Evidence indicates that a direct
isomerization of a geranyl cation (4a) to the cisoid-isomer (4b), which so far was considered unlikely, is
feasible.
Copyright 2015, Nature Publishing Group. Reproduced with permission. DOI: 10.1038/nchem.2181.
http://www.nature.com/nchem/journal/v7/n3/full/nchem.2181.html
34
Prof. Dr. Aymelt Itzen
Professur für Proteinchemie; Department Chemie; Technische Universität München;
D-85748 Garching b. München; Tel.: +49-(0)89-28913343; Fax: +49-(0)89-28913343,
E-Mail: [email protected]; Web: http://www.proteinchemie.ch.tum.de/
Gazdag, E. M.; Schöbel, S.; Shkumatov, A. V.; Goody, R. S.; Itzen, A.: The structure of the N-terminal
domain of the Legionella protein SidC. Journal of Structural Biology, 186, 2014, 188-194.
The Gram-negative bacterium Legionella pneumophila is the causative agent of Legionnaires’ disease.
During infection of eukaryotic cells, the bacterium releases about 300 different bacterial effector mole-
cules that aid in the establishment of the Legionella-containing vacuole (LCV) among which SidC is one
of these secreted proteins. However, apart from membrane lipid binding the function of SidC remains
elusive. In order to characterize SidC further, we have determined the crystal structure of the N-terminal
domain of SidC (amino acids 1–609, referred to as SidC-N) at 2.4 Å resolution. SidC-N reveals a novel
fold in which 4 potential subdomains (A–D) are arranged in a crescent-like structure.
None of these subdomains currently has any known structural homologues, raising the question of how
this fold has evolved. These domains are highly interconnected, with a low degree of flexibility towards
each other. Due to the extended arrangement of the subdomains, SidC-N may contain multiple binding
sites for potential interaction partners. SidC-N does not show structural similarity to any known protein
domain in the protein data bank and we thus cannot infer its function at present. It will be very interest-
ing to see whether SidC-N has enzymatic activity similar to other Legionella effectors or whether it binds
to mammalian host proteins.
Reprinted from Journal of Structural Biology, 186, Gazdag EM, Schöbel S, Shkumatov AV, Goody RS, Itzen A, The structure of the
N-terminal domain of the Legionella protein SidC, Pages 188-194, Copyright (2014), with permission from Elsevier.
35
Prof. Dr. Franz Hagn
Professur für strukturelle Membranbiochemie; Department Chemie & Institute for Advanced Study;
Technische Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-10683;
Fax: +49-(0)89-289-10698; E-Mail: [email protected]; Web: http://www.membrane.ch.tum.de
Hagn, F.; Wagner, G.: Structure refinement and membrane positioning of selectively labeled OmpX in
phospholipid nanodiscs. J Biomol NMR, 63, 2015, 249-260. First published online: November 28, 2014.
NMR structural studies on membrane proteins are often complicated by their large size, taking into ac-
count the contribution of the membrane mimetic. Therefore, classical resonance assignment approaches
often fail. The large size of phospholipid nanodiscs, a detergent-free phospholipid bilayer mimetic, pre-
vented their use in high-resolution solution-state NMR spectroscopy so far. We recently introduced
smaller nanodiscs that are suitable for NMR structure determination. However, side-chain assignments
of a membrane protein in nanodiscs still remain elusive. Here, we utilized a NOE-based approach to as-
sign (stereo-) specifically labeled Ile, Leu, Val and Ala methyl-labeled and uniformly 15N-Phe and 15N-Tyr
labeled OmpX and calculated a refined high-resolution structure. In addition, we were able to obtain re-
sidual dipolar couplings (RDCs) of OmpX in nanodiscs using Pf1 phage medium for the induction of
weak alignment.
Back-calculated NOESY spectra of the obtained NMR structures were compared to experimental NOE-
SYs in order to validate the quality of these structures. We further used NOE information between proto-
nated lipid head groups and side-chain methyls to determine the position of OmpX in the phospholipid
bilayer. These data were verified
by paramagnetic relaxation en-
hancement (PRE) experiments
obtained with Gd3+-modified li-
pids. Taken together, this study
emphasizes the need for the
(stereo-) specific labeling of
membrane proteins in a highly
deuterated background for high-
resolution structure determina-
tion, particularly in large mem-
brane mimicking systems like
phospholipid nanodiscs. Struc-
ture validation by NOESY back-
calculation will be helpful for the
structure determination and val-
idation of membrane proteins
where NOE assignment is often
difficult. The use of protein to li-
pid NOEs will be beneficial for
the positioning of a membrane
protein in the lipid bilayer with-
out the need for preparing mul-
tiple protein samples.
36
Physikalische und Theoretische Chemie
Lehrstuhl für Technische Elektrochemie
Prof. Dr. Hubert A. Gasteiger
Lehrstuhl für Theoretische Chemie
Prof. Dr. Karsten Reuter
Lehrstuhl für Physikalische Chemie
PD Dr. Friedrich Esch
Professur für Physikalische Chemie mit Schwerpunkt Katalyse
Prof. Dr. Sebastian Günther
Professur für Computergestützte Biokatalyse
Prof. Dr. Ville R. I. Kaila
37
Prof. Dr. Hubert A. Gasteiger
Lehrstuhl für Technische Elektrochemie; Department Chemie; Technische Universität München;
D-85748 Garching b. München; Tel.: ++49-(0)89-289-13628; Fax: ++49-(0)89-289-13674; E-Mail:
[email protected]; Web: http://www.tec.ch.tum.de
Durst, J.; Siebel, A.; Simon, C.; Herranz, J.; Gasteiger, H. A.: New Insights Into the Electrochemical Hy-
drogen Oxidation and Evolution Reaction Mechanism. Energy & Environmental Science, 7, 2014, 2255-
2260.
Large-scale electromobility will require the development of cost-effective and durable energy conver-
sion/storage systems such as fuel cells and electrolyzers. Currently, these two technologies are based
on proton-exchange membranes (PEMs), which operate with acidic electrolytes (low pH) and offer high
power densities (> 1 W/cm2). However, only electrocatalysts based on platinum group metals (Pt, Pd, Ir)
are both electrochemically active and at the same time able to sustain the harsh operating conditions of
PEM-based devices. On the other hand, recent advances in anion-exchange membranes (AEMs) enable
the development of fuel cell and electrolyzers operating under high pH conditions, so that abundant and
inexpensive non-noble metal catalysts could be used. Unfortunately, recent fundamental studies have
shown that the kinetics for the hydrogen oxidation reaction (HOR) and the hydrogen evolution reaction
(HER) strongly decrease with increasing pH. This reactivity loss for the HOR/HER, reactions which are of
central importance for hydrogen fuel cells and water electrolyzers, unfortunately lowers the efficiency
and cost-effectiveness of AEM-based devices.
In this study, we are reporting the first rigorous comparative study of the HOR/HER kinetics at low pH
(using the so-called H2-pump PEM fuel cell technique) and high pH (with the RDE technique in 0.1M
NaOH). HOR/HER current densities versus overpotential for several carbon-supported noble metal na-
noparticles (Pt, Ir, Rh, and Pd) are shown in the left panel of the below figure. For all these surfaces, we
have shown that their reactivity, quantified by their exchange current densities (i0-values), decreases by
two orders of magnitude in alkaline electrolytes compared to acidic ones (s. right panel of the below fig-
ure). Our mechanistic findings on these reactions point towards new approaches for designing more ef-
fective HOR/HER catalysts. More precisely, the similarities between the rate constants of HOR/HER and
of hydrogen adsorption/desorption in the so called hydrogen under potential deposition (H-UPD) pro-
cess demonstrate that the reactive hydrogen intermediate species in the HOR/HER and the H-UPD re-
actions are one and the same species. As a result, we have shown that the rate limiting step in the
HOR/HER reactions is the one-electron step corresponding to the adsorption of hydrogen from water
molecules, referred to as the Volmer reaction. This points towards the importance of synthesizing elec-
trocatalysts with tuned H-binding properties for improving the HOR/HER kinetics at high pH.
38
Prof. Dr. Karsten Reuter
Lehrstuhl für Theoretische Chemie; Department Chemie & Catalysis Research Center;
Technische Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-13616;
Fax: +49-(0)89-289-13622; E-Mail: [email protected]; Web: http://www.th4.ch.tum.de
Matera, S.; Maestri, M.; Cuoci, A.; Reuter, K.: Predictive-Quality Surface Reaction Chemistry in Real Re-
actor Models: Integrating First-Principles Kinetic Monte Carlo Simulations into Computational Fluid Dy-
namics. ACS Catal., 4, 2014, 4081-4092.
Hoffmann, M. J.; Mater, S.; Reuter, K.: kmos: A Lattice Kinetic Monte Carlo Framework. Comp. Phys.
Commun., 185, 2014, 2138-2150.
The worldwide rapidly growing demand for more efficient and sustainable exploitation of energy and ma-
terial resources puts catalysis higher and higher up on the research agenda. New and improved cata-
lysts are needed to deliver security of supply and industrial competitiveness. A targeted design requires
thereby an ever more detailed understanding. This concerns both the reactive chemistry at the molecular
level, as well as its function under the operation conditions in the entire chemical reactor. Traditionally,
these two aspects have been addressed rather separately, owing to the huge differences in involved
length and time scales.
To this end we present a numerical framework to integrate first-principles kinetic Monte Carlo (1p-kMC)
based microkinetic models into the powerful computational fluid dynamics (CFD) package Catalyt-
icFoam. This allows for the simultaneous account of a predictive-quality surface reaction kinetics inside
an explicitly described catalytic reactor geometry. Crucial means towards an efficient and stable imple-
mentation are the exploitation of the disparate time scales of surface chemistry and gas-phase
transport, as well as the reliable interpolation of gridded 1p-kMC data by means of an error-based modi-
fied Shepard approach. Showcase examples immediately reveal the necessity and value of having relia-
ble treatments of the surface chemistry and flow inside integrated multiscale catalysis simulations when
aiming at an atomic-scale understanding of the catalytic function in near-ambient environments. The ex-
amples highlight how intricately this function is affected by specifics of the reactor geometry and heat
dissipation channels on the one end, and on the other end by characteristics of the intrinsic catalytic ac-
tivity that are only captured by treatments beyond prevalent mean-field rate equations such as 1p-kMC.
39
PD Dr. Friedrich Esch
Lehrstuhl für Physikalische Chemie; Department Chemie & Catalysis Research Center;
Technische Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-13286;
Fax: +49-(0)89-289-13389; E-Mail: [email protected]; Web: http://www.pc.ch.tum.de
Li, J.; Wieghold, S.; Öner, M. A.; Simon, P.; Hauf, M. V.; Margapoti, E.; Garrido, J. A.; Esch, F.; Palma, C.
A.; Barth, J. V.: Three-Dimensional Bicomponent Supramolecular Nanoporous Self-Assembly on a Hy-
brid All-Carbon Atomically Flat and Transparent Platform. Nano Lett., 5, 2014, 4486–4492.
Molecular self-assembly is a versatile nanofabrication technique with atomic precision en route to mole-
cule-based electronic components and devices. Here, we demonstrate a three-dimensional, bicompo-
nent supramolecular network architecture on an all-carbon sp2−sp3 transparent platform. The substrate
consists of hydrogenated diamond decorated with a monolayer graphene sheet. The pertaining bilayer
assembly of a melamine−naphthalenetetracarboxylic diimide (NTCDI) supramolecular network exhibiting
a nanoporous honeycomb structure is explored via scanning tunneling microscopy initially at the solu-
tion-highly oriented pyrolytic graphite interface. On both, graphene-terminated copper and an atomically
flat graphene/diamond hybrid substrate, an assembly protocol is demonstrated yielding similar supra-
molecular networks with long-range order. Our results suggest that hybrid platforms, (supramolecular)
chemistry and thermodynamic growth protocols can be merged for in situ molecular device fabrication.
The figure shows a large-scale STM image of bilayer network of melamine−NTCDI on HOPG (a), with
domain boundary close-up (b). Molecular models indicate the bicomponent supramolecular network mo-
tif as well as the NTCDI-pairing motif between first layers (transparent model). The second layer (solid
model) overlaps one first layer domain. Cross-sectional profiles in (c) refer to the lines in (a) and (b). In
the graphs, the height of substrate, first layer and second layer are depicted by red, green, and blue col-
ors, respectively. An STM image with of the domain boundary is depicted in (d), together with the corre-
sponding superimposed molecular models in (e). The bilayer models in (f) reveal that the domain
boundary formation is exclusively due to pairing of NTCDIs via two hydrogen bonds in the first layer.
Adapted with permission from Li et al., Nano Lett. 2014; 5: 4486–4492. Copyright 2014 American Chemical Society. DOI:
10.1021/nl501452s. http://pubs.acs.org/doi/pdf/10.1021/nl501452s
40
Prof. Dr. Sebastian Günther
Professur für Physikalische Chemie mit Schwerpunkt Katalyse; Department Chemie & Catalysis
Research Center; Technische Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-
13403; E-Mail: [email protected]; Web: http://www.pc5.ch.tum.de
Günther, S.; Mentes, T. O.; Nino, M. A.; Locatelli, A.; Böcklein, S.; Wintterlin, J.: Desorption kinetics from
a surface derived from direct imaging of the adsorbate layer. Nature Communications, 5, 2014, 3853.
Among the complex surface reactions on heterogeneous catalyst surfaces, the desorption of adsorbed
surface species was considered as being rather simple. Adsorbates gain energy from thermal excitations
of a support surface and - if their energy exceeds the binding energy - they desorb in a statistical pro-
cess. Along this line, many models use a so called mean field description to identify the desorption order
and extract binding energies on surfaces from Temperature Programmed Desorption (TPD) data. As a
result, TPD spectroscopy became a standard tool in surface science capable of monitoring the ad-
sorbated desorption kinetics with great sensitivity. Nevertheless, in various cases such analysis fails
completely and expecially the recombinative desorption of adsorbed oxygen from a Ag(111) surface lead
to contradictive results. We were able to combine direct imaging of a silver (111) surface using low ener-
gy electrons with the simultaneous acquisition of a TPD spectrum during desorption of molecular oxy-
gen. Our data reveal that the desorption rate is strongly related to the structure of the oxygen adsorbate
(Oad) layer on the Ag(111) surface. During desorption the Oad layer decomposes into islands such as the
ones imaged in the displayed Low energy electron microscopy (LEEM) image.
Since we could show that the desorption rate scales with the perimeter of theses islands, the resulting
TPD spectra have a peculiar shape and only the knowledge of the island distribution allows to model the
desorption kinetics correctly. Moreover, the pretreatment of the Ag(111) crystal was shown to affect the
Oad island distribution, why TPD spectra change their shape depending on the history of the sample as
also shown in the figure. Extracting the morphologic information from the LEEM images, we could identi-
fy two distinct island sizes (small triangular islands and larger irregularly shaped islands) present during
the desorption process and relate them to the two peaks observed in each simultaneously recorded TPD
spectrum (sketched green and blue). As a result, we were able to setup a model that is capable of ex-
tracting the desorption order and the binding energy of adsorbed oxygen from Ag(111). Our data clearly
show that even simple surface processes may develop a high complexity and that adding microscopic
techniques to standard spectroscopies may be of great value. The German Science Foundation (DFG)
supported these studies.
41
Prof. Dr. Ville R. I. Kaila
Professur für Computergestützte Biokatalyse; Department Chemie; Technische Universität München;
D-85748 Garching b. München; Tel.: +49-(0)89-289-13612; Fax: +49-(0)89-289-13622;
E-Mail: [email protected]; Web: http://www.compbio.ch.tum.de
Kaila, V. R. I.; Wikström, M.; Hummer, G.: Electrostatics, Hydration, and Proton Transfer Dynamics in the
Membrane Domain of Respiratory Complex I. Proc. Natl. Acad. Sci. USA, 111, 2014, 6988-6993.
Complex I functions as the primary electron entry point to aerobic respiratory chains. It catalyzes the re-
duction of quinones by electron transfer from NADH, and efficiently couples the energy released into
proton pumping against a membrane potential of ca. 0.2 volt. Remarkably, the electron transfer domain
of Complex I is separated by ca. 200 Å from the most distant proton pathways. To understand the mo-
lecular mechanism of this biomolecular machine, we performed large-scale classical and quantum mo-
lecular simulations on the membrane domain of this enzyme, embedded in a native biological
membrane-water-ion environment. We observe spontaneous hydration of putative proton entry chan-
nels, which is sensitive to the protonation state of buried titratable residues. In first-principles molecular
dynamics simulations using the hybrid quantum mechanics/classical mechanics (QM/MM) method, we
find that the observed water wires support rapid Grotthuss-type proton transfer from the protein surface
to the center of the membrane domain, and that the buried charged residues establish a strongly cou-
pled proton transfer network that may be responsible for the long-range electron/proton coupling in
Complex I. The observed water-gated transitions establish conduits for the unidirectional proton pump-
ing processes, and provide a possible coupling mechanism for the long-range energy conversion pro-
cesses catalyzed by Complex I.
42
Technische Chemie
Lehrstuhl für Technische Chemie I
Prof. Dr.-Ing. Kai-Olaf Hinrichsen
Lehrstuhl für Technische Chemie II
Prof. Dr. Johannes A. Lercher
Prof. Dr. Andreas Jentys
WACKER-Lehrstuhl für Makromolekulare Chemie
Prof. Dr. Dr. h.c. Bernhard Rieger
Professur für Industrielle Biokatalyse
Prof. Dr. Thomas Brück
43
Prof. Dr.-Ing. Kai-Olaf Hinrichsen
Lehrstuhl für Technische Chemie I; Department Chemie & Catalysis Research Center;
Technische Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-13232;
Fax: +49-(0)89-289-13513; E-Mail: [email protected]; Web: http://www.tc1.ch.tum.de
Fichtl, M. B.; Schumann, J.; Kasatkin, I.; Jacobsen, N.; Behrens, M.; Schlögl, R.; Muhler, M.; Hinrichsen,
O.: Counting of Oxygen Defects versus Metal Surface Sites in Methanol Synthesis Catalysts by Different
Probe Molecules. Angew. Chem. Int. Ed., 53, 2014, 7043-7047.
Different surface sites of solid catalysts are usually quantified by dedicated chemisorption techniques
from the adsorption capacity of probe molecules, assuming they specifically react with unique sites. In
case of methanol synthesis catalysts, the Cu surface area is one of the crucial parameters in catalyst de-
sign and was for over 25 years commonly determined using diluted N2O. To disentangle the influence of
the individual catalyst components (commonly Cu, ZnO and Al2O3 are present in an industrial methanol
synthesis catalyst), different model catalysts were prepared and characterized using N2O reactive frontal
chromatography (N2O-RFC), temperature programmed desorption of H2 (H2-TPD), and kinetic experi-
ments.
Detailed experiments involving the characterization of multiple copper catalysts and different mineral
supports like Al2O3 and MgO, however, showed that the copper surface area determined with N2O is
strongly overestimated in presence of ZnO (left figure). This is attributed to the strong Cu-ZnO metal
support interaction and the partial reduction of ZnO forming ZnOx defect sites in presence of copper
(right figure). This well-known Cu-ZnO SMSI effect is furthermore of vital importance for the activity and
selectivity of today’s methanol synthesis catalysts. Unfortunately, no straightforward way to quantify this
interaction has yet been found. However, keeping in mind that the “real” copper surface can be deter-
mined under reducing conditions via H2-TPD and in the same setup a combination of copper surface
and ZnOx-defect sites can be quantified under oxidizing conditions via N2O-RFC, the combination of
both methods yields quantitative information about the oxygen defect site concentration and hence the
SMSI effect.
Copyright 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. Reproduced with permission. DOI: 10.1002/anie.201400575.
http://onlinelibrary.wiley.com/doi/10.1002/anie.201400575/abstract
44
Prof. Dr. Johannes A. Lercher
Lehrstuhl für Technische Chemie II; Department Chemie & Catalysis Research Center;
Technische Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-13540;
Fax: +49-(0)89-289-13544; E-Mail: [email protected]; Web: http://www.tc2.ch.tum.de/
Vjunov, A.; Hu, M. Y.; Feng, J.; Camaioni, D. M.; Mei, D.; Hu, J. Z.; Zhao, C.; Lercher, J. A.: Following
solid acid catalyzed reactions by MAS NMR spectroscopy in liquid phase – Zeolite catalyzed conversion
of cyclohexanol in water. Angew. Chem. Int. Ed., 53, 2014, 479-482.
Full catalytic hydrodeoxygenation of phenols requires not only metals, such as Pt, Pd, or Ni, but also
acidity to catalyze dehydration of the intermediately formed cycloalkanols (Fig. 1). Surprisingly, the rate
of dehydration normalized to the concentration of protons is about two orders of magnitude higher in a
zeolite than in aqueous solution of a mineral acid. It is also
remarkable that hydroalkylation of phenol on HBEA can oc-
cur in water, while other macroporous solid acids do not
catalyze this reaction. Zeolites achieve this by providing an
environment which uniquely stabilizes
the sorbed and transition states. To un-
derstand better this catalytic chemistry,
we have developed in cooperation with
the Pacific Northwest National Labora-
tory a small autoclave to monitor pro-
cesses in situ at elevated pressures and temperatures by NMR spectroscopy (Fig.
2). This allows monitoring not only the variations in the liquid phase at temperatures
up to 180°C and pressures up to 20 bar, but also to differentiate between the mobile
and adsorbed species. Using a 13C labeled cyclohexanol, we show that the conver-
sion of cyclohexanol is accompanied by significant migration of the hydroxyl group
in cyclohexanol and the double bond in cyclohexene with respect to the initial posi-
tions of the labeled carbons pointing to the reversibility of the protonation and
(de)hydration steps. A slightly different shift of the adsorbed cyclohexanol and a
larger half-width of the peak allow
the quantitation of the adsorbed
species (Fig. 3). Under all condi-
tions, the ratios between adsorbed and mobile species
were constant and nearly identical for cyclohexanol
and cyclohexene suggesting that the physisorption of
the ring dominates the interaction with the catalyst. The
kinetic analysis of the variations of the isotopomers
demonstrates the reversibility of the dehydration of cy-
clohexanol and the protonation of the alkene. Overall,
we conclude that sorbed cyclohexanol is bound pri-
marily via dispersion forces and specifically adsorbed
at Brønsted acid sites in protonated form. Under the
present experimental conditions, only approximately 5
% of cyclohexanol in the pores is adsorbed in the latter
form. Water elimination follows an E1-mechanism
forming a cyclohexyl carbenium ion, which either un-
dergoes rapid 1,2-hydride shift or is re-hydrated, thus, scrambling the label in cyclohexanol. Transfer of
the proton back to HBEA closes the catalytic cycle and leads to the primary product, cyclohexene.
Figure 1 Reaction pathways of phenol hydro-deoxygenation in water.
Figure 3 Stacked plot 13C NMR spectra acquired during hydrolysis of cyclohexanol over HBEA150 at 130C in liq-uid water using the MAS-NMR autoclave/rotor. Con-version of cyclohexanol is accompanied by significant mi-gration of the hydroxyl group in cyclohexanol and the double bond in cyclohexene with respect to the initial po-sition of the labeled carbon.
Figure 2 MAS rotor (a) with components (b). ZrO2 rotor sleeve, 1, ceramic insert, 2, sample cell space, 3, thread, 4, O-ring, 5, and Torlon® screw, 6.
45
Prof. Dr. Andreas Jentys
Lehrstuhl für Technische Chemie II; Department Chemie & Catalysis Research Center; Technische
Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-13538, E-Mail: [email protected];
Web: http://www.tc2.ch.tum.de/
Hahn, M. W.; Steib, M.; Jentys, A.; Lercher, J. A.: Tailoring hierarchically structured SiO2 spheres for high
pressure CO2 adsorption. J. Mater A., 2 (33), 2014, 13624-13634.
The synthesis, structural properties and CO2 uptake capacities of hierarchically structured SiO2 spheres,
synthesized by a one-step process using an emulsion-based system, were systematically studied. The
organic precursor solution containing alkoxisilanes as framework builders, a surfactant as structure-
directing agent, a moderately water-soluble solvent and organosilanes for direct functionalization of the
spheres was injected into a heated, water-filled column, where a base catalyzed condensation occurred.
The materials prepared possessed specific surface areas up to 660 m²·g-1 and a hierarchically ordered
mesoporous/macroporous pore structure.
Schematic presentation of the incorporation of Zr4+ into the
SiO2 spheres
Formation of surface species during adsorption of CO2 on Zr
doped SiO2 surfaces
It was demonstrated that the nature and the size of the amine group (primary, secondary or tertiary) used
in the synthesis of amine-loaded solid sorbent influences the CO2 sorption capacity. The water-free ad-
sorption of CO2 proceeded predominately via formation of carbamates, with a maximum amine efficien-
cy of 50 %. The presence of H2O changed the adsorption mechanism and also enabled the formation of
bicarbonates and carbamates stabilized by the hydrated support The SiO2 spheres showed lower heats
of adsorption of CO2 and less steep sorption isotherms for CO2 adsorption compared to zeolite 13X re-
sulting in an increased CO2 uptake capacity in pressure swing adsorption processes. Addition of Zr4+
cations to SiO2 increased the CO2 uptake by generating Lewis acid-base sites and enhanced the abra-
sion resistance of the sorbents.
46
Prof. Dr. Dr. h.c. Bernhard Rieger
WACKER-Lehrstuhl für Makromolekulare Chemie; Department Chemie & Catalysis Research Center;
Technische Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-13571
(Sekretariat); Fax: +49-(0)89-289-13562; E-Mail: [email protected]; Web: http://www.makro.ch.tum.de
Kehrle, J.; Höhlein, I.; Yang, Z.; Johem, A.-R.; Helbich, T.; Kraus, T.; Veinot, J.; Rieger, B.: Ther-
moresponsive and Photoluminescent Hybrid Silicon Nanoparticles by Surface-Initiated Group Transfer
Polymerization of Diethyl Vinylphosphonate. Angew. Chem, 126, 2014, 12702-12705.
A universal method for controlled chemical modification of silicon surfaces is developed in our group,
which has opened a route towards novel functional nano-hybrid materials based on silicon nano-crystals
(SiNC) and water soluble polymer poly(diethyl vinylphosphonate) (PDEVP). The synthetic approach to
these nano-hybrid materials shown in Figure 1 involves a UV-initiated hydrosylilation reaction between
hydrogen-terminated SiNCs and ethylene glycol dimethacrylate (EGDM), followed by impregnation with
an Y-based group-transfer polymerization (GTP) catalyst. In this step, the catalyst binds covalently to the
EGDM shell, and the subsequent addition of DEVP monomer results in its controlled chain-
polymerization from the surface of SiNCs via a GTP mechanism.
Figure 1
Figure 2
The method allows avoiding a common problem of SiNC photoluminiscence quenching arising in nu-
merous cases from their surface functionalization. As a consequence, the prepared nano-hybrid parti-
cles feature a superposition of optoelectronic properties of the stabilized freestanding SiNCs (see Figure
2A for a photoemission spectrum upon exitation at 365 nm) with the stimuli response (lower critical solu-
tion temperature behavior, or LCST) of PDEVP-based shell in aqueous media (Figure 2B). Such unusual
combination opens new application areas for this type of nano-hybrid materials at the mergence of
chemistry, biology, physics and engineering.
Copyright 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. Reproduced with permission. DOI: 10.1002/ange.201405946.
http://onlinelibrary.wiley.com/doi/10.1002/cctc.201300334/abstract
47
Prof. Dr. Thomas Brück
Professur für Industrielle Biokatalyse; Department Chemie; Technische Universität München; D-85748
Garching b. München; Tel.: +49-(0)89-289-13250; Fax: +49-(0)89-289-13255; E-Mail: [email protected];
Web: www.ibc.ch.tum.de
Bracharz, F.; Lorenzen, J.; Qoura, F.; Brück, T.: Advanced Biomass Value: Microalgae biomass as a new
source of sustainable aviation biofuels and lubricant production. 16th European Congress on Biotechnol-
ogy, 13-16 July 2014, EICC Edinburgh, Scotland.
The aviation industry grows 5% p.a. and by 2020 has to comply with strict governmental emission
standards that mandate a 20% CO2 reduction compared to the emission levels measured in 2005. To-
gether with the imminent end of fossil resources, these drivers force the development of sustainable avi-
ation fuel alternatives that are carbon neutral and in compliance with fuel standard regulations such as
Jet A. The same emission and CO2 standards imposed on the aviation industry also hold for both the
lubricant and building industry, which likewise seek sustainable product alternatives. In this study, a
new, mass- and energy efficient algae biorefinery concept for the integrated production of aviation fuels,
industrial lubricants and CO2 adsorbing building materials has been developed (Fig 1). The process chain
is based on production of fast growing microalgae biomass containing up to 20% (w/w) lipids. Subse-
quently, algae lipids are separated from the biomass fraction and converted to high performance, high
value lubricants by targeted functionalisation using a cascade of optimized biocatalytic processes.
Microalgea
Lipids
formulation
Bio-lubricants
Algea biomass Algea hydrolyzate
Fermentaition with
oleaginous yeasts
Bio-lipids
Aviation fuelCO2 adsorbing building
materials
Oleaginous yeast biomass
Chemical conversion
Figure 1: Advanced Biomass Value - A new integrated algae biorefinery concept
The biomass residue is enzymatically hydrolysed and used as a fermentation substrate for oleaginous
yeast strains. Since these fast growing, oleaginous yeasts can accumulate up to 80% (w/w) lipids, they
are the ideal biomass base for the production of drop-in aviation fuels. Conversion of wet yeast biomass
is accomplished using a streamlined thermochemical process that features optimized heterogenous cat-
alysts. In this process, carbon rich coke is a residue of the thermochemical biomass processing. This
residue stream is used as a settling modifier in the production of CO2 adsorbing building materials. The
integrated biorefinery process does not produce any waste streams and adds value to every process in-
termediate.
48
Radiochemie und Pharmazeutische Chemie
Lehrstuhl für Pharmazeutische Radiochemie
Prof. Dr. Hans-Jürgen Wester
49
Prof. Dr. Hans-Jürgen Wester
Lehrstuhl für Pharmazeutische Radiochemie; Department Chemie & Fakultät für Medizin;
Technische Universität München; D-85748 Garching b. München; Tel.: +49-(0)89-289-12203;
Fax: +49-(0)89-289-12204; E-Mail: [email protected]; Web: https://www.prc.ch.tum.de
Yousefi, B. H.; Manook, A.; Grimmer, T.; Arzberger, T.; von Reutern, B.; Henriksen, G.; Drzezga, A.;
Förster, S.; Schwaiger, M.; Wester, H.-J.: Characterization and First Human Investigation of FIBT, a
Novel Fluorinated Aβ Plaque Neuroimaging PET Radioligand. ACS Chem Neurosci., 6 (3), 2015, 428-
437. First published: December 8, 2014. *
Molecular Imaging of A-Plaques by means of Positron Emission Tomography (PET) has become an im-
portant imaging tool for the diagnosis of neurodegenerative disorders like Alzheimer's disease (AD). Re-
search on the in-vivo detection of Amyloid deposits was rapidly concentrated on 18F-labeled
radiopharmaceuticals resulting in the recent approval of three A-PET imaging agents (Florbetaben [Pi-
ramal Healthcare], Florbetapir [Eli-Lilly] and Flutametamol [GE Healthcare] by the FDA and the EMA. In
order to improve the sensitivity of A-PET, a new class of imidazo[2,1-b]benzothiazole (IBT) based imag-
ing agents have been developed and evaluated. Among these IBTs, [18F]FIBT was selected for further
characterization in transgenic (tg) animals and applied in a first proof-of-concept study in humans.
[18F]FIBT characteristics were analyzed in relation to the golden standard, “Pittsburgh compound B
(PiB)” and Florbetaben.
[18F]Florbetaben[18F]FIBT
moderately demented AD patient (59 y)
A-negative patient (72y)
left: structure of [18F]FIBT; middle: ex-vivo autoradiography of APP/PS1 tg mice injected with [18F]FIBT and [18F]Florbetaben;
right: [18F]FIBT-PET/MRI of an AD-patient and a A-neg. patient 60-70 min p.i.
In-vitro studies and biodistribution studies in control and tg mice revealed favorable binding to synthetic
A40 and A42 fibrills, excellent brain uptake, high in-vivo stability, and high specificity of binding. When
compared to Florbetaben by ex-vivo autoradiography, [18F]FIBT was found to show excellent correlation
and superior imaging properties. Good binding of [18F]FIBT relative to the reference PiB was further con-
firmed in binding assays and autoradiographies using post-mortem human AD brain. First use of
[18F]FIBT in humans successfully yielded clinical [18F]FIBT PET/MR images with very good contrast. In
summary, [18F]FIBT is a new lead compound with improved binding characteristics and pharmacokinet-
ics. Detailed clinical investigations are needed to confirm these first results and to explore the specific
qualities of [18F]FIBT PET for dementia imaging in relation to established ligands.
*) A collaboration with the Dept. of Nuclear Medicine (TUM), the Dept. of Psychiatry and Psychotherapy (TUM), the Centre for
Neuropathology and Prion Research (LMU) and the Dept. of Psychiatry and Psychotherapy (LMU) Copyright © 2014 American Chemical Society. DOI: 10.1021/cn5001827 http://pubs.acs.org/doi/pdfplus/10.1021/cn5001827
50
Lebensmittelchemie
Prof. Dr. Peter Schieberle
Lehrstuhl für Lebensmittelchemie
51
Prof. Dr. Peter Schieberle
Lehrstuhl für Lebensmittelchemie; Department Chemie; Lehrstuhl für Lebensmittelchemie; Technische
Universität München, D-85354 Freising; Tel.: +49-(0)8161-71-2932 (Sekretariat); Fax: +49-(0)8161-71-
2970; E-Mail: [email protected]; Web: http://www.leb.chemie.tu-muenchen.de/
Granvogl, M.: Development of three stable isotope dilution assays for the quantitation of (E)-2-butenal
(crotonaldehyde) in heat-processed edible fats and oils as well as in food. J. Agric. Food Chem., 62,
2014, 1272-1282.
2-Alkenals, e.g., acrolein or crotonaldehyde, are formed during heat-processing of food and are of spe-
cial interest due to their toxicological relevance. But, up to now, no quantitation methods were available
on the basis of stable isotopically labeled standards. Thus, the objectives of this study were (i) to devel-
op a stable isotope dilution analysis for the simultaneous quantitation of acrolein and crotonaldehyde
and ii) to compare the results obtained by three different techniques: (a) direct headspace GC−MS anal-
ysis (method I), (b) indirect GC−MS analysis after derivatization with pentafluorophenylhydrazine (method
II), and (c) indirect LC−MS/MS analysis after derivatization with 2,4-dinitrophenylhydrazine (method III).
Linseed oil, safflower oil, rapeseed oil, olive oil, coconut oil, and a commercial frying fat (from the front to the back) heated for 2,
16, 24, 48, and 96 h at 180 °C (left picture) and for 24 h at 100, 140, 180, 220, and 260 °C (right picture).
The use of stable isotopically labeled compounds as internal standards enabled the development of very
precise and reliable quantitation methods for acrolein and crotonaldehyde. Application of the new meth-
ods on different types of oils varying in their fatty acid compositions revealed very similar results inde-
pendently on the used method. For example, crotonaldehyde was determined in rapeseed oil heated for
24 h at 180 °C with concentrations of 11.6 mg/kg (method I), 12.3 mg/kg (method II), and 11.7 mg/kg
(method III), respectively. But, a comparison of the concentrations of acrolein and crotonaldehyde
formed after heat-processing revealed significant differences, e.g., 1.52 mg of crotonaldehyde and 3.74
mg of acrolein/kg of olive oil, 0.64 mg of crotonaldehyde and 8.97 mg of acrolein/kg of safflower oil, or
11.7 mg of crotonaldehyde and 23.4 mg of acrolein/kg of rapeseed oil (24 h at 180 °C; all data related to
method I). The concentrations of formed (E)-2-alkenals seemed to be correlated with the amount of lino-
lenic acid in the oils, which were proven in a subsequent study using isotopically labeled precursors.
With these data at hand, ingested amounts by the consumers’ diet can be calculated and used for a new
toxicological evaluation. Further, the knowledge of formation pathways, which are influenced by pro-
cessing parameters, offers industry mitigation strategies to produce “healthier” foods.
52
Institut für Wasserchemie und Chemische Balneologie
Lehrstuhl für Analytische Chemie
Prof. Dr. Reinhard Nießner
PD Dr. Thomas Baumann
PD Dr. Christoph Haisch
Prof. Dr. Dietmar Knopp
PD Dr. Michael Seidel
53
Prof. Dr. Reinhard Nießner
Lehrstuhl für Analytische Chemie; Department Chemie & Institut für Wasserchemie und Chemische
Balneologie; Technische Universität München; D-81377 München; Tel.: +49-(0)89-2180-78232 (Sekreta-
riat); Fax: +49-(0)89-2180-78255; E-Mail: [email protected]; Web: http://www.ws.chemie.tu-
muenchen.de
Bladt, H.; Ivleva, N. P.; Niessner, R.: Internally Mixed Multicomponent Soot: Impact of Different Salts on
Soot Structure and Thermo-chemical Properties. J Aerosol Sci., 70, 2014, 26-35.
Aerosol particulate matter generated by combustion sources (soot) can have a significant influence on
atmospheric chemistry, Earth’s climate and human health. Ambient aerosols, in particular combustion-
derived aerosols are often characterized by their content of elemental carbon (EC) and organic carbon
(OC), which are obtained with thermo-optical methods. Besides carbonaceous materials, ambient aero-
sols may also contain inorganic compounds. The latter may be among others oxides, sulphates, nitrates
or chlorides of alkali and earth alkali elements (mostly Na, Mg, Ca), metals (mostly Al, V, Fe, Ni, Cu, Zn)
and Si. Inorganic impurities may originate from various sources like wood or oil combustion, industry,
sea spray or mineral (soil) dust, etc. Furthermore, additives, impurities in fuel and lubricant are a source
of minerals, which are mixed in engine exhaust aerosols. However, the impact of different internally
mixed inorganic compounds, e.g. different salts on soot structure and thermo-chemical properties and
hence determined EC/OC ratio is not very known. Therefore a systematic and detailed characterization
of internally mixed multicomponent soot aerosols was performed.
A novel method for preparation of model soot aerosols internally mixed with different inorganic salts
(CaSO4, Ce(SO4)2/CeO2, Na2SO4 or NaCl) at different contents was applied by spraying aqueous salt so-
lutions into a propane diffusion flame. This method was successfy used for the generation of internally
mixed soot containing CaSO4, Ce(IV), Na2SO4 or NaCl at different contents from 0.3 to 78.5 % (m/m).
Scanning electron microscopy demonstrated the mineral crystallites embedded in the soot matrix and
hence proved the existence of an internal mixture of soot with minerals. Raman microspectroscopic
analysis revialed that soot structure is not affected by different contents of the salts. However, soot oxi-
dation reactivity (determed by temperature-programmed oxidation, TPO) drastically enhanced with in-
creasing salt content in soot for every tested salt. Already small salt contents, e.g. 0.3 % (m/m) NaCl,
shifted the temperature of maximum emission Tmax by 95 K compared to undoped soot. Thus, it could be
shown that diverse salts are able to stimulate soot oxidation. Our results pose questions on the feasibil-
ity of thermo-optical methods for the determination of EC/OC values of carbonaceous aerosols in the
presence of internally mixed minerals. Those aerosols may be internally or externally mixed with inorgan-
ic material of various composition and quantity. In the presence of inorganic materials, it is highly possi-
ble that the EC and OC emission are shifted leading to a wrong assignment to different OC and EC
fractions or even to wrong estimations in the EC/OC ratio.
54
PD Dr. Thomas Baumann
Lehrstuhl für Analytische Chemie; Department Chemie & Institut für Wasserchemie und Chemische
Balneologie; Hydrogeologie; Technische Universität München; D-81377 München; Tel.: +49-(0)89-2180-
78232 (Sekretariat); Fax: +49-(0)89-2180-78255; E-Mail: [email protected];
Web: http://www.ws.chemie.tu-muenchen.de/groups/hydrogeo/
Kühn, M.; Ivleva, N. P.; Klitzke, S.; Niessner, R.; Baumann, T.: Investigation of coatings of natural organic
matter on silver nanoparticles under environmentally relevant conditions by surface-enhanced Raman
scattering. Science Tot Environ, 2014.
Engineered Inorganic nanoparticles come in many different flavours and a multitude of technical applica-
tions. Their fate in the environment is controlled by the stability of the nanoparticles, their aggregation
behaviour and their interactions with matrices like leaves or aquifer sediments. It is obvious that these
processes are mainly depending on the surface of the nanoparticles. Once released into the aquatic en-
vironment, nanoparticles are likely coated with organic macromolecules present in surface water and
groundwater. In order to characterize the coating of silver nanoparticles we used Raman microspectros-
copy and surface-enhanced Raman scattering (SERS). This method is sensitive to the coating only as
the signal intensity is decreasing sharply with increasing distance from the surface.
Using little sample preparation, thus avoiding artefacts due to filtration and drying, we were not only able
to detect different humic substances which formed a coating around the silver nanoparticles, but also to
monitor changes of the coatings due to changing environmental conditions. The results show that silver
nanoparticles get immediately coated with humic substances once exposed to natural aquatic systems.
This coating is rather stable as repeated washing steps with solutions without coating agents indicate.
However, the coating might change over time. It is therefore ncecessary to monitor the coatings of na-
noparticles under environmental conditions along the path of the nanoparticles. This work was funded
by DFG (grant Ba1592/6-1) within the DFG research group InterNANO.
55
PD Dr. Christoph Haisch
Lehrstuhl für Analytische Chemie; Department Chemie & Institut für Wasserchemie und Chemische
Balneologie; Technische Universität München; Marchioninistrasse 17, D-81377 München; Tel.: +49(0)89-
2180 78242; Fax: +49(0)89-2180 99 78242; E-Mail: [email protected]; Web: http://www.ws.chemie.tu-
muenchen.de/groups/haisch/
Wolf, J. C.; Danner, A.; Niessner, R.; Haisch, C.: NO2 measurement artifacts in the presence of soot.
Anal. Bioanal. Chem., 406, 2014, 447-453.
The principle of Photoacoustic (PA) spectroscopy is the conversion of absorbed optical energy into
thermal expansion. For a modulated light source, this expansion can be recorded as sound wave with
the frequency identical to the modulation frequency and an intensity representing the light power and
the specific absorption. In many different projects we prove PA spectroscopy to be a sensitive tool for
optical absorption analysis in gases, liquids, solids. The robustness and simplicity of some PA tech-
niques allow for in situ monitoring, particularly for gases and aerosols. As the PA signal is directly pro-
portional to optical absorption, but insensitive to light scattering, it is particularly well suited for the
characterization of aerosol systems.
Nitrogen dioxide is a regulated pollutant, emitted from combustion engines, which is measured routinely.
Since it can be formed during combustion processes, it is often measured in the presence of soot. We
developed a PA system for the parallel detection of soot and NO2 to investigate the possible artifact
formation due to the interaction of soot and NO2 in the sampling lines and instrument prefilters. The
transfer of varying NO2 concentrations through filters and tubes coated with different kinds of soot was
investigated by using a dedicated photoacoustic soot and NO2 analyzer (TwinPAS). We found significant
lags (up to 2 min) of the NO2 transfer as well as total NO2 losses of up 10 %.
For a common IGSSE project together with the Chair of Urban Water Systems Engineering, we devel-
oped a PA system for a highly sensitive detection of N2O produced and emitted in wastewater treatment
plants under different process parameters. Trace gases like nitrous oxide increase the greenhouse effect
and contribute to the depletion of the ozone layer. For a direct analysis of N2O in the liquid phase, we are
developing a gas extraction system.
56
Prof. Dr. Dietmar Knopp
Lehrstuhl für Analytische Chemie: Department Chemie & Institut für Wasserchemie und Chemische
Balneologie; Technische Universität München; D-81377 München; Tel.: +49-(0)89-2180-78252;
Fax: +49-(0)89-2180 -78255; E-Mail: [email protected]; Web: http://www.ws.chemie.tu-
muenchen.de/groups/bioanalytic/
Wang, X.; Niessner, R.; Knopp, D.: Magnetic Bead-based Colorimetric Immunoassay for Aflatoxin B1
Using Gold Nanoparticles. Sensors, 14 (11), 2014; 21535-21548.
Nano-biotechnology, which integrates nanoscience with molecular biology and biomedicine, increasing-
ly attracts attention in the field of biological analysis. Nanoparticles of various shapes, sizes and compo-
sitions have been developed. Among them, magnetic beads (MBs) are very attractive because they have
good biocompatibility and can be easily separated from reaction mixture with the aid of an external
magnet. Regard assay format, the colorimetric assay has gained considerable attention due to its in-
comparable advantages such as simplicity, practicality, rapidness and no requirement to utilize expen-
sive or challenging instruments. In such assays, gold nanoparticles (GNPs) are extensively used owing to
their special physical and chemical properties. In this work, a competitive colorimetric immunoassay for
aflatoxins was developed using MBs and GNPs.
Magnetic separation
Absorbance measurementIncubation
O
O
O
Si N C C N
H H
Fe3O4 AFB-BSA
GNPs
+anti-AFB antibody Ab-GNPs
AFB-BSA-Fe3O4
AFB
(a)
(b)
(c)
0 200 400 600 800
0.00
0.05
0.10
0.15
0.20
0.25
Ab
so
rba
nce
ch
an
ge
Concentration of AFB (ng/L)
400 500 600 700 800
0.0
0.1
0.2
0.3
0.4
0.5
0.6
Absorb
an
ce
Wavelength/nm
1
7
(a) (b)
Copyright 2014 MDPI, Basel. Reproduced with permission. DOI: http://dx.doi.org/10.3390/s141121535.
After magnetic separation, the absorp-
tion of the supernant was measured di-
rectly, which is proportional to the AFB
concentration in the sample. The influ-
ence of GNP size, pH value and incuba-
tion time was tested. Finally, the
method was applied for AFB determina-
tion in real maize samples.
57
PD Dr. Michael Seidel
Lehrstuhl für Analytische Chemie, Department Chemie & Institut für Wasserchemie und Chemische
Balneologie; Technische Universität München; D-81377 München; Tel.: +49-(0)89-2180-78238;
Fax: +49-(0)89-2180-78255; E-Mail: [email protected]; Web: http://www.ws.chemie.tu-
muenchen.de/groups/seidel/
Szkola, A.; Linares, E. M.; Worbs, S.; Dorner, B. G.; Dietrich, R.; Märtlbauer, E.; Niessner, R.; Seidel, M.:
Rapid and simultaneous detection of ricin, staphylococcal enterotoxin B and saxitoxin by chemilumines-
cence-based microarray immunoassay. The Analyst, 139, 2014, 5886-5893.
Simultaneous detection of small and large molecules on microarray immunoassays is a challenge that
limits some applications in multiplex analysis. This is the case for biosecurity, where fast, cheap and reli-
able simultaneous detection of proteotoxins and small toxins is needed. Two highly relevant proteotox-
ins, ricin (60 kDa) and bacterial toxin staphylococcal enterotoxin B (SEB, 30 kDa) and the small
phycotoxin saxitoxin (STX, 0.3 kDa) are potential biological warfare agents and require an analytical tool
for simultaneous detection. Proteotoxins are successfully detected by sandwich immunoassays, where-
as competitive immunoassays are more suitable for small toxins (<1 kDa). Based on this need, this work
provides a novel and efficient solution based on anti-idiotypic antibodies for small molecules to combine
both assay principles on one microarray. The biotoxin measurements are performed on a flow-through
chemiluminescence microarray platform MCR3 in 18 minutes. The chemiluminescence signal was ampli-
fied by using a poly-horseradish peroxidase complex (polyHRP), resulting in low detection limits: 2.9 ±
3.1 mg L-1 for ricin, 0.1 ± 0.1 mg L-1 for SEB and 2.3 ± 1.7 mg L-1 for STX. The developed multiplex sys-
tem for the three biotoxins is completely novel, relevant in the context of biosecurity and establishes the
basis for research on anti-idiotypic antibodies for microarray immunoassays.
Copyright 2014 RSC. Reproduced with permission. DOI: 10.1039/c4an00345d.
http://pubs.rsc.org/en/content/articlehtml/2014/an/c4an00345d
58
Publikationen nach Lehrstühlen und Arbeitsgruppen
Anorganische und Analytische Chemie
Lehrstuhl für Anorganische Chemie
Prof. Dr. Dr. h.c. mult. Wolfgang A. Herrmann (komm. Prof. Dr. Fritz E. Kühn)
Riener, Korbinian; Bitzer, Mario J.; Pöthig, Alexander; Raba, Andreas; Cokoja, Mirza; Herrmann, Wolf-
gang A.; Kühn, Fritz E.: On the Concept of Hemilability: Insights into a Donor-Functionalized Iridium(I)
NHC Motif and Its Impact on Reactivity. Inorganic Chemistry, 53 (24), 2014, 12767-12777.
Jandl, Christian; Öfele, Karl; Kühn, Fritz E.; Herrmann, Wolfgang A.; Pöthig, Alexander: Structure and
Dynamics of Imidazolium- and Pyridinium-Substituted η3 -Cycloheptatrienide-Pd Complexes. Organo-
metallics, 33 (22), 2014, 6398-6407.
Huber, Stefan; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E.: Evaluation of theoretical func-
tionals for structural and vibrational energy predictions on organo-rhenium(VII) oxides. Journal of Organ-
ometallic Chemistry, 760, 2014, 156-160.
Wagner, Thomas; Zeglis, Brian M.; Groveman, Sam; Hille, Claudia; Pöthig, Alexander; Francesconi, Lynn
C.; Herrmann, Wolfgang A.; Kühn, Fritz E.; Reiner, Thomas: Synthesis of the first radiolabeled 188Re N-
heterocyclic carbene complex and initial studies on its potential use in radiopharmaceutical applications.
J. Label Compd. Radiopharm., 57 (7), 2014, 441-447.
Riener, Korbinian; Haslinger, Stefan; Raba, Andreas; Högerl, Manuel P.; Cokoja, Mirza; Herrmann, Wolf-
gang A.; Kühn, Fritz E.: Chemistry of Iron N-Heterocyclic Carbene Complexes: Syntheses, Structures,
Reactivities, and Catalytic Applications. Chem. Rev., 114 (10), 2014, 5215-5272.
Wilhelm, Michael E.; Anthofer, Michael H.; Cokoja, Mirza; Markovits, Iulius I. E.; Herrmann, Wolfgang A.;
Kühn, Fritz E.: Cycloaddition of Carbon Dioxide and Epoxides using Pentaerythritol and Halides as Dual
Catalyst System. ChemSusChem, 7 (5), 2014, 1357-1360.
Raba, Andreas; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E.: Catalytic hydroxylation of ben-
zene and toluene by an iron complex bearing a chelating di-pyridyl-di-NHC ligand. Chem. Commun., 50
(78), 2014, 11454-11457.
Zhong, Rui; Pöthig, Alexander; Feng, Yinkai; Riener, Korbinian; Herrmann, Wolfgang A.; Kühn, Fritz E.:
Facile-prepared sulfonated water-soluble PEPPSI-Pd-NHC catalysts for aerobic aqueous Suzuki–
Miyaura cross-coupling reactions. Green Chem., 16 (12), 2014, 4955-4962.
Zhang, Bo; Li, Su; Cokoja, Mirza; Herdtweck, Eberhardt; Mink, János; Zang, Shu-Liang; Herrmann,
Wolfgang A.; Kühn, Fritz E.: Ion Pairs of Weakly Coordinating Cations and Anions: Synthesis and Appli-
cation for Sulfide to Sulfoxide Oxidations. Zeitschrift für Naturforschung B, 69 (11-12), 2014, 1149-1163.
Anthofer, Michael H.; Wilhelm, Michael E.; Cokoja, Mirza; Markovits, Iulius I. E.; Pöthig, Alexander; Mink,
János; Herrmann, Wolfgang A.; Kühn, Fritz E.: Cycloaddition of CO2 and epoxides catalyzed by imidazo-
lium bromides under mild conditions: influence of the cation on catalyst activity. Catal. Sci. Technol., 4,
2014, 1749-1758.
59
Wilhelm, Michael E.; Anthofer, Michael H.; Reich, Robert M.; D'Elia, Valerio; Basset, Jean-Marie;
Herrmann, Wolfgang A.; Cokoja, Mirza; Kühn, Fritz E.: Niobium(v) chloride and imidazolium bromides as
efficient dual catalyst systems for the cycloaddition of carbon dioxide and propylene oxide. Catal. Sci.
Technol., 4, 2014, 1638-1643.
Jürgens, Sophie; Herrmann, Wolfgang A.; Kühn, Fritz E.: Rhenium and technetium based radiopharma-
ceuticals: Development and recent advances. Journal of Organometallic Chemistry, 751 (SI), 2014, 83-
89.
Lehrstuhl für Anorganische Chemie mit Schwerpunkt Neue Materialien
Prof. Dr. Thomas F. Fässler
Zeilinger, Michael; Jantke, Laura-Alice; Scherf, Lavinia M.; Kiefer, Florian J.; Neubüser, Gero; Kienle, Lo-
renz; Karttunen, Antti J.; Konar, Sumit; Häussermann, Ulrich; Fässler, Thomas F.: Alkali Metals Extrac-
tion Reactions with the Silicides Li15Si4 and Li3NaSi6: Amorphous Si versus allo-Si. Chem. Mater., 26 (22),
2014, 6603-6612.
Benda, Christian B.; Waibel, Markus; Fässler, Thomas F.: On the Formation of Intermetalloid Clusters: Ti-
tanocene(III)diammin as a Versatile Reactant Toward Nonastannide Zintl Clusters. Angew. Chem. Int.
Ed., 54 (7), 2014, 522-526.
Hoffmann, Andrea V.; Hlukhyy, Viktor; Fässler, Thomas F.: Synthesis, Structure, and Chemical Bonding
in CaCoSi. Z. anorg. allg. Chem., 640 (14), 2014, 2882-2888.
Benda, Christian B.; Waibel, Markus; Köchner, Tobias; Fässler, Thomas F.: Reactivity of Liquid Ammonia
Solutions of the Zintl Phase K 12 Sn 17 towards Mesitylcopper(I) and Phosphinegold(I) Chloride. Chem-
istry - A European Journal, 20 (50), 2014, 16738-16746.
He, Haiyan; Klein, Wilhelm; Jantke, Laura-Alice; Fässler, Thomas F.: Metal-Centered Zintl Ions Isolated
by Direct Extraction from Endohedral Intermetallic Precursor: [Co1-x@Sn9]4- ( x ≈ 0.32) and [Co2 @Sn17]5-.
Z. anorg. allg. Chem., 640 (14), 2014, 2864-2870.
Baran, Volodymyr; Senyshyn, Anatoliy; Karttunen, Antti J.; Fischer, Andreas; Scherer, Wolfgang;
Raudaschl-Sieber, Gabriele; Fässler, Thomas F.: A Combined Metal-Halide/Metal Flux Synthetic Route
towards Type-I Clathrates: Crystal Structures and Thermoelectric Properties of A8Al8Si38 (A=K, Rb, and
Cs). Chemistry - A European Journal, 20 (46), 2014, 15077-15088.
Eckstein, Nadine; Jantke, Laura-Alice; Fässler, Thomas F.; Mink, János; Drees, Markus; Nilges, Tom:
Structure and Vibrational Analyses of LiP15. Eur. J. Inorg. Chem., 2014 (30), 2014, 5135-5144.
Leu, Bogdan M.; Sturza, Mihai; Hu, Michael Y.; Gosztola, David; Baran, Volodymyr; Fässler, Thomas F.;
Alp, E. Ercan: Vibrational dynamics of the host framework in Sn clathrates. Physical Review B, 90 (10),
2014.
Hlukhyy, Viktor; Stegmaier, Saskia; van Wüllen, Leo; Fässler, Thomas F.: Endohedrally Filled [Ni@Sn9]4−
and [Co@Sn9]5− Clusters in the Neat Solids Na12Ni1− xSn17 and K13− xCo1− xSn17: Crystal Structure and 119Sn
Solid-State NMR Spectroscopy. Chemistry - A European Journal, 20 (38), 2014, 12157-12164.
60
Benda, Christian B.; Köchner, Tobias; Schäper, Raphaela; Schulz, Stephan; Fässler, Thomas F.: BiZn
Bond Formation in Liquid Ammonia Solution: [BZnBi]4−, a Linear Polyanion that is Iso(valence)-
electronic to CO2. Angew. Chem. Int. Ed., 53 (34), 2014, 8944-8948.
Zaikina, Julia V.; Muthuswamy, Elayaraja; Lilova, Kristina I.; Gibbs, Zachary M.; Zeilinger, Michael;
Snyder, G. Jeffrey; Fässler, Thomas F.; Navrotsky, Alexandra; Kauzlarich, Susan M.: Thermochemistry,
Morphology, and Optical Characterization of Germanium Allotropes. Chem. Mater., 26 (10), 2014, 3263-
3271.
Karttunen, Antti J.; Fässler, Thomas F.: Semiconducting Clathrates Meet Gas Hydrates: Xe24[Sn136].
Chemistry - A European Journal, 20 (22), 2014, 6693-6698.
Boeddinghaus, M. Bele; Klein, Wilhelm; Wahl, Bernhard; Jakes, Peter; Eichel, Rüdiger-A.; Fässler,
Thomas F.: C603- versus C60
4-/C602- - Synthesis and Characterization of Five Salts Containing Discrete
Fullerene Anions. Z. anorg. allg. Chem., 640, 2014, 701-712.
Scherf, Lavinia M.; Zeilinger, Michael; Fässler, Thomas F.: Li18Na2Ge17 —A Compound Demonstrating
Cation Effects on Cluster Shapes and Crystal Packing in Ternary Zintl Phases. Inorganic Chemistry, 53,
2014, 2096-2101.
Kurylyshyn, Iryna M.; Fässler, Thomas F.; Fischer, Andreas; Hauf, Christoph; Eickerling, Georg; Presnitz,
Manuel; Scherer, Wolfgang: Probing the Zintl-Klemm Concept: A Combined Experimental and Theoreti-
cal Charge Density Study of the Zintl Phase CaSi. Angew. Chem. Int. Ed., 53 (11), 2014, 3029-3032.
He, Haiyan; Klein, Wilhelm; Fässler, Thomas F.: Crystal structure of (4,7,13,16,21,24-hexaoxa-1,10-
diazabicyclo[8.8.8]- hexacosane-K8N2,O6) potassium-di-(1,4,7,10,13,16-hexaoxacyclooctadecane-K6O)
potassium potassium nonastannide ethylenediamine sesquisolvate, [K([2.2.2]crypt)][K(18-crown-
6)]2[KSn9](en)1.5, C45H96K4N5O18Sn9. Zeitschrift für Kristallographie - New Crystal Structures, 229, 2014.
Benda, Christian B.; Fässler, Thomas F.: The Reduction of Pyridine by K12Si17 to the 4,4′-Bipyridine
Radical Anion [C10H8N2]-•: Crystal Structure and Spectroscopic Characterization of
[K([2.2.2]crypt)][C10H8N2]. Zeitschrift für Naturforschung B, 69 (11-12), 2014.
Zeilinger, Michael; Fässler, Thomas F.: Structural and thermodynamic similarities of phases in the Li–Tt
(Tt = Si, Ge) systems: redetermination of the lithium-rich side of the Li–Ge phase diagram and crystal
structures of Li17Si4.0−xGex for x = 2.3, 3.1, 3.5, and 4 as well as Li4.1Ge. Dalton Trans., 43 (40), 2014,
14959-14970.
61
Lehrstuhl für Bauchemie
Prof. Dr. Johann Plank
Phatharachindanuwong, C.; Hansupalak, Nanthiya; Chareonpanich, Metta; Chisti, Yusuf; Limtrakul, Jum-
ras; Plank, Johann: Morphology and adsorption capacity of sodium silicate-based hierarchical porous
silica templated on natural rubber: Influence of washing–drying methods. Materials Letters, 130, 2014,
206-209.
Tiemeyer, Constantin; Lange, Alex; Plank, Johann: Determination of the adsorbed layer thickness of
functional anionic polymers utilizing chemically modified polystyrene nanoparticles. Colloids and Surfac-
es A: Physicochemical and Engineering Aspects, 456, 2014, 139-145.
Lei, Lei; Plank, Johann: A study on the impact of different clay minerals on the dispersing force of con-
ventional and modified vinyl ether based polycarboxylate superplasticizers. Cement and Concrete Re-
search, 60, 2014, 1-10.
Lange, Alexander; Hirata, Tsuyoshi; Plank, Johann: Influence of the HLB value of polycarboxylate super-
plasticizers on the flow behavior of mortar and concrete. Cement and Concrete Research, 60, 2014, 45-
50.
Habbaba, Ahmad; Dai, Zhimin; Plank, Johann: Formation of organo-mineral phases at early addition of
superplasticizers: The role of alkali sulfates and C3A content. Cement and Concrete Research, 59, 2014,
112-117.
Plank, Johann; Yang, Fan; Storcheva, Oksana: Study of the interaction between cement phases and
polycarboxylate superplasticizers possessing silyl functionalities. Journal of Sustainable Cement-Based
Materials, 3 (2), 2014, 77-87.
Baueregger, Stefan; Perello, Margarita; Plank, Johann: Influence of anti-caking agent kaolin on film for-
mation of ethylene–vinylacetate and carboxylated styrene–butadiene latex polymers. Cement and Con-
crete Research, 58, 2014, 112-120.
Ferrari, Lucia; Kaufmann, Josef; Winnefeld, Frank; Plank, Johann: Impact of particle size on interaction
forces between ettringite and dispersing comb-polymers in various electrolyte solutions. Journal of Col-
loid and Interface Science, 419, 2014, 17-24.
Baueregger, Stefan; Perello, Margarita; Plank, Johann: On the role of colloidal crystal-like domains in the
film forming process of a carboxylated styrene-butadiene latex copolymer. Progress in Organic Coat-
ings, 77, 2014, 685-690.
Plank, Johann; Zou, Nan; Zhao, Zongbin; Dekany, Imre: Preparation and Properties of a Graphene Oxide
Intercalation Compound Utilizing Hydrocalumite Layered Double Hydroxide as Host Structure. Z. anorg.
allg. Chem., 640, 2014, 1413-1419.
Dubina, Elina; Plank, Johann; Wadsö, Lars; Black, Leon: Impact of environmental moisture on C3A poly-
morphs in the absence and presence of CaSO4 · 0·5 H2O. Advances in Cement Research, 26, 2014, 29-
40.
62
Lei, Lei; Plank, Johann: Synthesis and Properties of a Vinyl Ether-Based Polycarboxylate Superplasticiz-
er for Concrete Possessing Clay Tolerance. Industrial & Engineering Chemistry Research, 53, 2014,
1048-1055.
Tiemeyer, Constantin; Plank, Johann: Impact of Temperature on the Solution Conformation and Perfor-
mance of AMPS® - and AHPS-based Fluid Loss Polymers in Oil Well Cement. Zeitschrift für Naturfor-
schung B, 69 (11-12), 2014, 1131-1140.
Professur für Analytische Chemie
Prof. Dr. Michael Schuster
Li, Lingxiangyu; Schuster, Michael: Influence of phosphate and solution pH on the mobility of ZnO nano-
particles in saturated sand. Science of The Total Environment, 472, 2014, 971-978.
Hartmann, Georg; Baumgartner, Tanja; Schuster, Michael: Influence of Particle Coating and Matrix Con-
stituents on the Cloud Point Extraction Efficiency of Silver Nanoparticles (Ag-NPs) and Application for
Monitoring the Formation of Ag-NPs from Ag+. Anal. Chem., 86, 2014, 790-796.
Professur für Anorganische Chemie
Prof. Dr. Klaus Köhler
Haeßner, Carmen; Köhler, Klaus; Wussow, Katharina: Umwandlung und Speicherung von Sonnenener-
gie. Chemie in unserer Zeit, 48, 2014, 246-259.
Balasekaran, Samundeeswari Mariappan; Spandl, Johann; Hagenbach, Adelheid; Köhler, Klaus; Drees,
Markus; Abram, Ulrich: Fluoridonitrosyl Complexes of Technetium(I) and Technetium(II). Synthesis,
Characterization, Reactions, and DFT Calculations. Inorganic Chemistry, 53 (10), 2014, 5117-5128.
Professur für Molekulare Katalyse
Prof. Dr. Fritz E. Kühn
Riener, Korbinian; Bitzer, Mario J.; Pöthig, Alexander; Raba, Andreas; Cokoja, Mirza; Herrmann, Wolf-
gang A.; Kühn, Fritz E.: On the Concept of Hemilability: Insights into a Donor-Functionalized Iridium(I)
NHC Motif and Its Impact on Reactivity. Inorganic Chemistry, 53 (24), 2014, 12767-12777.
Jandl, Christian; Öfele, Karl; Kühn, Fritz E.; Herrmann, Wolfgang A.; Pöthig, Alexander: Structure and
Dynamics of Imidazolium- and Pyridinium-Substituted η3 -Cycloheptatrienide-Pd Complexes. Organo-
metallics, 33 (22), 2014, 6398-6407.
Haslinger, Stefan; Kück, Jens W.; Hahn, Eva M.; Cokoja, Mirza; Pöthig, Alexander; Basset, Jean-Marie;
Kühn, Fritz E.: Making Oxidation Potentials Predictable: Coordination of Additives Applied to the Elec-
tronic Fine Tuning of an Iron(II) Complex. Inorganic Chemistry, 53 (21), 2014, 11573-11583.
Schmidt, Andrea; Grover, Nidhi; Zimmermann, Teresa K.; Graser, Lilian; Cokoja, Mirza; Pöthig, Alexan-
der; Kühn, Fritz E.: Synthesis and characterization of novel cyclopentadienyl molybdenum imidazo[1,5-
63
a]pyridine-3-ylidene complexes and their application in olefin epoxidation catalysis. Journal of Catalysis
319, 2014, 119-126.
Rieb, Julia; Raba, Andreas; Haslinger, Stefan; Kaspar, Manuel; Pöthig, Alexander; Cokoja, Mirza; Basset,
Jean-Marie; Kühn, Fritz E.: Synthesis, Characterization, and Reactivity of Furan- and Thiophene-
Functionalized Bis(N-heterocyclic carbene) Complexes of Iron(II). Inorganic Chemistry, 53 (18), 2014,
9598-9606.
Hahn, Eva M.; Casini, Angela; Kühn, Fritz E.: Re(VII) and Tc(VII) trioxo complexes stabilized by tridentate
ligands and their potential use as radiopharmaceuticals. Coordination Chemistry Reviews, 276, 2014,
97-111.
Schmidt, Andrea; Casini, Angela; Kühn, Fritz E.: Self-assembled M2L4 coordination cages: Synthesis and
potential applications. Coordination Chemistry Reviews, 275, 2014, 19-36.
Riener, Korbinian; Kühn, Fritz E.: CO2 - Baustein des Lebens und Treiber der globalen Erwärmung. Che-
mie in unserer Zeit, 48, 2014, 260-268.
Hijazi, Ahmed K.; Taha, Ziyad A.; Ajlouni, Abdulaziz; Radhakrishnan, Narayanan; Voit, Brigitte; Kühn,
Fritz E.: Improved synthesis, characterization and catalytic application of [H(OEt2)2][B{C6H3(m-CF3)2}4].
Journal of Organometallic Chemistry 763-764, 2014, 65-68.
D'Elia, Valerio; Ghani, Amylia A.; Monassier, Antoine; Sofack-Kreutzer, Julien; Pelletier, Jeremie D. A.;
Drees, Markus; Vummaleti, Sai V. C.; Poater, Albert; Cavallo, Luigi; Cokoja, Mirza; Basset, Jean-Marie;
Kühn, Fritz. E.: Dynamics of the NbCl5 -Catalyzed Cycloaddition of Propylene Oxide and CO2: Assessing
the Dual Role of the Nucleophilic Co-Catalysts. Chemistry - A European Journal, 20 (37), 2014, 11870-
11882.
Huber, Stefan; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E.: Evaluation of theoretical func-
tionals for structural and vibrational energy predictions on organo-rhenium(VII) oxides. Journal of Organ-
ometallic Chemistry, 760, 2014, 156-160.
Wagner, Thomas; Zeglis, Brian M.; Groveman, Sam; Hille, Claudia; Pöthig, Alexander; Francesconi, Lynn
C.; Herrmann, Wolfgang A.; Kühn, Fritz E.; Reiner, Thomas: Synthesis of the first radiolabeled 188Re N-
heterocyclic carbene complex and initial studies on its potential use in radiopharmaceutical applications.
J. Label Compd. Radiopharm., 57 (7), 2014, 441-447.
Riener, Korbinian; Haslinger, Stefan; Raba, Andreas; Högerl, Manuel P.; Cokoja, Mirza; Herrmann, Wolf-
gang A.; Kühn, Fritz E.: Chemistry of Iron N-Heterocyclic Carbene Complexes: Syntheses, Structures,
Reactivities, and Catalytic Applications. Chem. Rev., 114 (10), 2014, 5215-5272.
Zimmermann, Teresa K.; Ziriakus, Jennifer; Herdtweck, Eberhardt; Pöthig, Alexander; Kühn, Fritz E.:
[Ru4(CO)8(μ-OOCCH2CH3)4(THF)2] and [Ru3(μ3-OH)(CO)6(μ-OOCtBu)4(OOCtBu)]: Novel Multinuclear Ruthe-
nium Carbonyl Carboxylates. Organometallics, 33 (10), 2014, 2667-2670.
Wilhelm, Michael E.; Anthofer, Michael H.; Cokoja, Mirza; Markovits, Iulius I. E.; Herrmann, Wolfgang A.;
Kühn, Fritz E.: Cycloaddition of Carbon Dioxide and Epoxides using Pentaerythritol and Halides as Dual
Catalyst System. ChemSusChem, 7 (5), 2014, 1357-1360.
64
Zimmermann, Teresa K.; Haslinger, Stefan; Pöthig, Alexander; Kühn, Fritz E.: Structure and catalytic ac-
tivity of the ruthenium(I) sawhorse-type complex [Ru2{μ,η2-CF3(CF2)5COO}2(DMSO)2(CO)4]. Acta Cryst
Sect C Struct Chem, 70, 2014, 384-387.
Goh, Serena L. M.; Högerl, Manuel P.; Jokić, Nadežda B.; Tanase, Alexandrina D.; Bechlars, Bettina;
Baratta, Walter; Mink, János; Kühn, Fritz E.: Synthesis and Characterization of a Cationic Phthalimido-
Functionalized N-Heterocyclic Carbene Complex of Palladium(II) and Its Catalytic Activity. Eur. J. Inorg.
Chem., 2014, 7, 1225-1230.
Höhne, Dominik; Herdtweck, Eberhardt; Pöthig, Alexander; Kühn, Fritz E.: Loop shaped dicarboxylate-
bridged dimolybdenum( ii ) bisphosphine compounds – a rational synthesis. Dalton Trans., 43 (41), 2014,
15367-15374.
Zhong, Rui; Pöthig, Alexander; Feng, Yinkai; Riener, Korbinian; Herrmann, Wolfgang A.; Kühn, Fritz E.:
Facile-prepared sulfonated water-soluble PEPPSI-Pd-NHC catalysts for aerobic aqueous Suzuki–
Miyaura cross-coupling reactions. Green Chem., 16 (12), 2014, 4955-4962.
Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E.: Cyclopentadienyl molybdenum alkyl ester complexes as
catalyst precursors for olefin epoxidation. Catal. Sci. Technol., 12, 2014, 4219-4231.
Zhang, Bo; Li, Su; Cokoja, Mirza; Herdtweck, Eberhardt; Mink, János; Zang, Shu-Liang; Herrmann,
Wolfgang A.; Kühn, Fritz E.: Ion Pairs of Weakly Coordinating Cations and Anions: Synthesis and Appli-
cation for Sulfide to Sulfoxide Oxidations. Zeitschrift für Naturforschung B, 69 (11-12), 2014, 1149-1163.
Raba, Andreas; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E.: Catalytic hydroxylation of ben-
zene and toluene by an iron complex bearing a chelating di-pyridyl-di-NHC ligand. Chem. Commun., 50
(78), 2014, 11454-11457.
Wilhelm, Michael E.; Anthofer, Michael H.; Reich, Robert M.; D'Elia, Valerio; Basset, Jean-Marie;
Herrmann, Wolfgang A.; Cokoja, Mirza; Kühn, Fritz E.: Niobium(v) chloride and imidazolium bromides as
efficient dual catalyst systems for the cycloaddition of carbon dioxide and propylene oxide. Catal. Sci.
Technol., 4, 2014, 1638-1643.
Dutta, Barnali; Sofack-Kreutzer, Julien; Ghani, Amylia A.; D'Elia, Valerio; Pelletier, Jérémie D. A.; Cokoja,
Mirza; Kühn, Fritz E.; Basset, Jean-Marie: Nucleophile-directed selectivity towards linear carbonates in
the niobium pentaethoxide-catalysed cycloaddition of CO2 and propylene oxide. Catal. Sci. Technol., 4,
2014, 1534-1538.
Anthofer, Michael H.; Wilhelm, Michael E.; Cokoja, Mirza; Markovits, Iulius I. E.; Pöthig, Alexander; Mink,
János; Herrmann, Wolfgang A.; Kühn, Fritz E.: Cycloaddition of CO2 and epoxides catalyzed by imidazo-
lium bromides under mild conditions: influence of the cation on catalyst activity. Catal. Sci. Technol., 4,
2014, 1749-1758.
Juergens, Sophie; Herrmann, Wolfgang A.; Kuehn, Fritz E.: Rhenium and technetium based radiophar-
maceuticals: Development and recent advances. Journal of Organometallic Chemistry, 751 (SI), 2014,
83-89.
65
Huber, Stefan; Cokoja, Mirza; Kuehn, Fritz E.: Historical landmarks of the application of molecular transi-
tion metal catalysts for olefin epoxidation. Journal of Organometallic Chemistry, 751 (SI), 2014, 25-32.
Professur für Strukturanalytik in der Katalyse
Prof. Dr. Moniek Tromp
Barrier, Elise; Braz Fernandes, Francisco Manuel; Bujan, Maya; Feiters, Martin C.; Froideval, Annick;
Ghijsen, Jacques; Hase, Thomas; Hough, Michael A.; Jergel, Matej; Jimenez, Ignacio; Kajander, Tommi;
Kikas, Arvo; Kokkinidis, Michael; Kover, Laszlo; Larsen, Helge B.; Lawson, David Mark; Lawniczak-
Jablonska, Krystyna; Mariani, Carlo; Mikulik, Petr; Monnier, Judith; Morera, Solange; McGuinness, Cor-
mac; Müller-Buschbaum, Peter; Meedom Nielson, Martin; Pietsch, Ullrich; Tromp, Moniek; Simon, Marc;
Stangl, Julian; Zanotti, Giuseppe: The benefit of the European User Community from transnational ac-
cess to national radiation facilities. J Synchrotron Rad, 21, 2014, 638-639.
Bartlett, Stuart A.; Moulin, Jerome; Tromp, Moniek; Reid, Gillian; Dent, Andrew J.; Cibin, Giannantonio;
McGuinness, David S.; Evans, John: Activation of [CrCl3{R-SN(H)S-R}] Catalysts for Selective Trimeriza-
tion of Ethene: A Freeze-Quench Cr K-Edge XAFS Study. ACS Catalysis, 11, 2014, 4201-4204.
Kroner, Anna B.; Newton, Mark A.; Tromp, Moniek; Roscioni, Otello M.; Russell, Andrea E.; Dent, An-
drew J.; Prestipino, Carmelo; Evans, John: Time-Resolved, In Situ DRIFTS/EDE/MS Studies on Alumina-
Supported Rhodium Catalysts: Effects of Ceriation and Zirconiation on Rhodium-CO Interactions.
ChemPhysChem, 15 (14), 2014, 3049-3059.
Small, Matthew W.; Kas, Joshua J.; Kvashnina, Kristina O.; Rehr, John J.; Nuzzo, Ralph G.; Tromp, Mon-
iek; Frenkel, Anatoly I.: Effects of Adsorbate Coverage and Bond-Length Disorder on the d-Band Center
of Carbon-Supported Pt Catalysts. ChemPhysChem, 15, 2014, 1569-1572.
Professur für Synthese und Charakterisierung Innovativer Materialien
Prof. Dr. Tom Nilges
Greiwe, Magnus; Nilges, Tom: Polyantimonides as anode materials in battery applications. Progress in
Solid State Chemistry, 42, 2014, 191-201.
Köpf, Marianne; Eckstein, Nadine; Pfister, Daniela; Grotz, Carolin; Krüger, Ilona; Greiwe, Magnus; Han-
sen, Thomas; Kohlmann, Holger; Nilges, Tom: Access and in situ growth of phosphorene-precursor
black phosphorus. Journal of Crystal Growth, 405, 2014, 6-10.
Eckstein, Nadine; Jantke, Laura-Alice; Fässler, Thomas F.; Mink, János; Drees, Markus; Nilges, Tom:
Structure and Vibrational Analyses of LiP15. Eur. J. Inorg. Chem., 2014 (30), 2014, 5135-5144.
Bachhuber, Frederik; von Appen, Jörg; Dronskowski, Richard; Schmidt, Peer; Nilges, Tom; Pfitzner, Ar-
no; Weihrich, Richard: The Extended Stability Range of Phosphorus Allotropes. Angew. Chem. Int. Ed.,
53 (43), 2014, 11629-11633.
66
Bachhuber, Frederik; von Appen, Jörg; Dronskowski, Richard; Schmidt, Peer; Nilges, Tom; Pfitzner,
Arno; Weihrich, Richard: Die erweiterte Stabilitätsreihe der Phosphorallotrope. Angew. Chem., 126 (43),
2014, 11813-11817.
Winter, Florian; Pöttgen, Rainer; Greiwe, Magnus; Nilges, Tom: Lithium transition metal pnictides – struc-
tural chemistry, electrochemistry, and function. Reviews in Inorganic Chemistry, 35 (1), 2015, 1-24. First
published 26.09.2014.
Giller, Malte; Grotz, Carolin; Rudyk, Brent W.; Mar, Arthur; Nilges, Tom: Cu6Te3S – a Cu-filled Cr3Si-
structure variant. Zeitschrift für Kristallographie - Crystalline Materials, 229 (12), 2014.
Freiberg, Anna; Metzger, Michael; Haering, Dominik; Bretzke, Stephanie; Puravankara, Sreeraj; Nilges,
Tom; Stinner, Christoph; Marino, Cyril; Gasteiger, Hubert A.: Anodic Decomposition of Trimethylboroxine
as Additive for High Voltage Li-Ion Batteries. Journal of the Electrochemical Society, 161 (14), 2014,
A2255-A2261.
Greiwe, Magnus; Nilges, Tom: Zr4CuSb7 – A PbFCl-related Polyantimonide, and Structure Relations of
Zirconium-Transition Metal Polyantimonides. Zeitschrift für Naturforschung B, 69 (11-12), 2014, 1124-
1130.
67
Organische Chemie und Biochemie
Lehrstuhl für Biochemie
Prof. Dr. Michael Groll, Prof. Dr. Wolfgang Eisenreich, Dr. Sabine Schneider
Grubmüller, Stephanie; Schauer, Kristina; Goebel, Werner; Fuchs, Thilo M.; Eisenreich, Wolfgang: Analy-
sis of carbon substrates used by Listeria monocytogenes during growth in J774A.1 macrophages sug-
gests a bipartite intracellular metabolism. Frontiers in Cellular and Infection Microbiology, 4, 2014, 156.
Lechner, Sabrina; Prax, Marcel; Lange, Birgit; Huber, Claudia; Eisenreich, Wolfgang; Herbig, Alexander;
Nieselt, Kay; Bertram, Ralph: Metabolic and transcriptional activities of Staphylococcus aureus chal-
lenged with high-doses of daptomycin. International Journal of Medical Microbiology, 304, 2014, 931-
940.
Kriegeskorte, André; Grubmüller, Stephanie; Huber, Claudia; Kahl, Barbara C.; von Eiff, Christof; Proctor,
Richard A.; Peters, Georg; Eisenreich, Wolfgang; Becker, Karsten: Staphylococcus aureus small colony
variants show common metabolic features in central metabolism irrespective of the underlying auxo-
trophism. Frontiers in Cellular and Infection Microbiology, 4, 2014, 141.
Kothe, Gerd; Lukaschek, Michail; Link, Gerhard; Kacprzak, Sylwia; Illarionov, Boris; Fischer, Markus; Ei-
senreich, Wolfgang; Bacher, Adelbert; Weber, Stefan: Detecting a New Source for Photochemically In-
duced Dynamic Nuclear Polarization in the LOV2 Domain of Phototropin by Magnetic-Field Dependent
13 C NMR Spectroscopy. J. Phys. Chem. B 118 (40), 2014, 11622-11632.
Marelli, Udaya Kiran; Frank, Andreas O.; Wahl, Bernhard; La Pietra, Valeria; Novellino, Ettore; Marinelli,
Luciana; Herdtweck, Eberhardt; Groll, Michael; Kessler, Horst: Receptor-Bound Conformation of Cilen-
gitide Better Represented by Its Solution-State Structure than the Solid-State Structure. Chemistry - A
European Journal, 20 (44), 2014, 14201-14206.
Dubiella, Christian; Cui, Haissi; Gersch, Malte; Brouwer, Arwin J.; Sieber, Stephan A.; Krüger, Achim;
Liskamp, Rob M. J.; Groll, Michael: Selective Inhibition of the Immunoproteasome by Ligand-Induced
Crosslinking of the Active Site. Angew. Chem. Int. Ed., 53 (44), 2014, 11969-11973.
Beck, Philipp; Heinemeyer, Wolfgang; Späth, Anna-Lena; Elnakady, Yasser; Müller, Rolf; Groll, Michael:
Interactions of the natural product kendomycin and the 20S proteasome. Journal of Molecular Biology,
426 (18), 2014, 3108-3117.
Vorwerk, Hanne; Mohr, Juliane; Huber, Claudia; Wensel, Olga; Schmidt-Hohagen, Kerstin; Gripp, Eugen-
ia; Josenhans, Christine; Schomburg, Dietmar; Eisenreich, Wolfgang; Hofreuter, Dirk: Utilization of host-
derived cysteine-containing peptides overcomes the restricted sulphur metabolism of C ampylobacter
jejuni. Molecular Microbiology, 93 (6), 2014, 1224-1245.
Fulde, Marcus; Willenborg, Joerg; Huber, Claudia; Hitzmann, Angela; Willms, Daniela; Seitz, Maren; Ei-
senreich, Wolfgang; Valentin-Weigand, Peter; Goethe, Ralph: The arginine-ornithine antiporter ArcD con-
tributes to biological fitness of Streptococcus suis. Frontiers in Cellular and Infection Microbiology, 4,
2014, 107.
68
Schramek, Nicholas; Wollein, Uwe; Eisenreich, Wolfgang: Identification of new synthetic PDE-5 inhibitors
analogues found as minor components in a dietary supplement. Journal of Pharmaceutical and Biomedi-
cal Analysis, 96, 2014, 45-53.
Voss, Constantin; Scholz, Christoph; Knorr, Sabine; Beck, Philipp; Stein, Martin L.; Zall, Andrea; Kuckel-
korn, Ulrike; Kloetzel, Peter-Michael; Groll, Michael; Hamacher, Kay; Schmidt, Boris: α-Keto Phenyla-
mides as P1′-Extended Proteasome Inhibitors. ChemMedChem, 11, 2014, 2557-2564.
Sadeghian, Keyarash; Flaig, Denis; Blank, Iris D.; Schneider, Sabine; Strasser, Ralf; Stathis, Dimitrios;
Winnacker, Malte; Carell, Thomas; Ochsenfeld, Christian: Ribose-Protonated DNA Base Excision Repair:
A Combined Theoretical and Experimental Study. Angew. Chem. Int. Ed., 53 (38), 2014, 10044-10048.
de Bruin, Gerjan; Huber, Eva M.; Xin, Bo-Tao; van Rooden, Eva J.; Al-Ayed, Karol; Kim, Kyung-Bo; Kis-
selev, Alexei F.; Driessen, Christoph; van der Stelt, Mario; van der Marel, Gijsbert A.; Groll, Michael;
Overkleeft, Herman S.: Structure-Based Design of β1i or β5i Specific Inhibitors of Human Immunopro-
teasomes. Journal of Medicinal Chemistry, 57 (14), 2014, 6197-6209.
Arciniega, Marcelino; Beck, Philipp; Lange, Oliver F.; Groll, Michael; Huber, Robert: Differential global
structural changes in the core particle of yeast and mouse proteasome induced by ligand binding. Pro-
ceedings of the National Academy of Sciences, 111 (26), 2014, 9479-9484.
Tatsis, Evangelos C.; Eylert, Eva; Maddula, Ravi Kumar; Ostrozhenkova, Elena; Svatoš, Aleš; Eisenreich,
Wolfgang; Schneider, Bernd: Biosynthesis of Nudicaulins: A 13 CO 2 -Pulse/Chase Labeling Study with
Papaver nudicaule. ChemBioChem 15 (11), 2014, 1645-1650.
Quitterer, Felix; Beck, Philipp; Bacher, Adelbert; Groll, Michael: The Formation of Pyrroline and Tetrahy-
dropyridine Rings in Amino Acids Catalyzed by Pyrrolysine Synthase (PylD). Angew. Chem. Int. Ed., 53
(31), 2014, 8150-8153.
Schunder, Eva; Gillmaier, Nadine; Kutzner, Erika; Herrmann, Vroni; Lautner, Monika; Heuner, Klaus; Ei-
senreich, Wolfgang: Amino Acid Uptake and Metabolism of Legionella pneumophila Hosted by Acan-
thamoeba castellanii. Journal of Biological Chemistry, 289 (30), 2014, 21040-21054.
Span, Ingrid; Wang, Ke; Eisenreich, Wolfgang; Bacher, Adelbert; Zhang, Yong; Oldfield, Eric; Groll, Mi-
chael: Insights into the Binding of Pyridines to the Iron–Sulfur Enzyme IspH. J. Am. Chem. Soc., 136
(22), 2014, 7926-7932.
Trivella, Daniela B. B.; Pereira, Alban R.; Stein, Martin L.; Kasai, Yusuke; Byrum, Tara; Valeriote, Freder-
ick A.; Tantillo, Dean J.; Groll, Michael; Gerwick, William H.; Moore, Bradley S.: Enzyme Inhibition by Hy-
droamination: Design and Mechanism of a Hybrid Carmaphycin-Syringolin Enone Proteasome Inhibitor.
Chemistry & Biology, 21, 2014, 782-791.
Baer, Philipp; Rabe, Patrick; Fischer, Katrin; Citron, Christian A.; Klapschinski, Tim A.; Groll, Michael;
Dickschat, Jeroen S.: Induced-Fit Mechanism in Class I Terpene Cyclases. Angew. Chem. Int. Ed., 53
(29), 2014, 7652-7656.
Feige, Matthias J.; Gräwert, Melissa A.; Marcinowski, Moritz; Hennig, Janosch; Behnke, Julia; Ausländer,
David; Herold, Eva M.; Peschek, Jirka; Castro, Caitlin D.; Flajnik, Martin; Hendershot, Linda M.; Sattler,
69
Michael; Groll, Michael; Buchner, Johannes: The structural analysis of shark IgNAR antibodies reveals
evolutionary principles of immunoglobulins. Proceedings of the National Academy of Sciences, 111 (22),
2014, 8155-8160.
Peña-Rodríguez, Luis M.; Yam-Puc, Alejandro; Knispel, Nihat; Schramek, Nicholas; Huber, Claudia;
Graßberger, Christoph; Ramírez-Torres, Fabiola G.; Escalante-Erosa, Fabiola; García-Sosa, Karlina;
Hiebert-Giesbrecht, Mickel R.; Chan-Bacab, Manuel J.; Godoy-Hernández, Gregorio; Bacher, Adelbert;
Eisenreich, Wolfgang: Isotopologue Profiling of Triterpene Formation under Physiological Conditions. Bi-
osynthesis of Lupeol-3-(3′- R -hydroxy)-stearate in Pentalinon andrieuxii. J. Org. Chem., 79, 2014, 2864-
2873.
Nodwell, Matthew B.; Koch, Maximilian F.; Alte, Ferdinand; Schneider, Sabine; Sieber, Stephan A.: A
Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage. J. Am.
Chem. Soc. 136 (13), 2014, 4992-4999.
Weiz, Annika R.; Ishida, Keishi; Quitterer, Felix; Meyer, Sabine; Kehr, Jan-Christoph; Müller, Kristian M.;
Groll, Michael; Hertweck, Christian; Dittmann, Elke: Harnessing the Evolvability of Tricyclic Microviridins
To Dissect Protease-Inhibitor Interactions. Angew. Chem. Int. Ed. 53 (14), 2014, 3735-3738.
Gersch, Malte; Kolb, Roman; Alte, Ferdinand; Groll, Michael; Sieber, Stephan A.: Disruption of Oligomer-
ization and Dehydroalanine Formation as Mechanisms for ClpP Protease Inhibition. J. Am. Chem. Soc.,
136, 2014, 1360-1366.
Kunfermann, Andrea; Witschel, Matthias; Illarionov, Boris; Martin, René; Rottmann, Matthias; Höffken, H.
Wolfgang; Seet, Michael; Eisenreich, Wolfgang; Knölker, Hans-Joachim; Fischer, Markus; Bacher, Ad-
elbert; Groll, Michael; Diederich, François: Pseudilins: Halogenated, Allosteric Inhibitors of the Non-
Mevalonate Pathway Enzyme IspD. Angew. Chem. Int. Ed., 53, 2014, 2235-2239.
Scharf, Daniel H.; Groll, Michael; Habel, Andreas; Heinekamp, Thorsten; Hertweck, Christian; Brakhage,
Axel A.; Huber, Eva M.: Flavoenzyme-Catalyzed Formation of Disulfide Bonds in Natural Products. An-
gew. Chem. Int. Ed., 53, 2014, 2221-2224.
Stein, Martin L.; Cui, Haissi; Beck, Philipp; Dubiella, Christian; Voss, Constantin; Krüger, Achim;
Schmidt, Boris; Groll, Michael: Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the
α-Ketoamide Electrophile as an Auspicious Reversible Lead Motif. Angew. Chem. Int. Ed., 53, 2014,
1679-1683.
Baer, Philipp; Rabe, Patrick; Citron, Christian A.; de Oliveira Mann, Carina C.; Kaufmann, Norman; Groll,
Michael; Dickschat, Jeroen S.: Hedycaryol Synthase in Complex with Nerolidol Reveals Terpene Cyclase
Mechanism. ChemBioChem, 15, 2014, 213-216.
Stein, Martin L.; Groll, Michael: Applied techniques for mining natural proteasome inhibitors. Biochimica
et Biophysica Acta (BBA) - Molecular Cell Research, 1843, 2014, 26-38.
Bacher, Adelbert; Illarionov, Boris; Eisenreich, Wolfgang; Fischer, Markus: A Roadmap to the Isotopolog
Space of Flavocoenzymes. Flavins and Flavoproteins: Methods in Molecular Biology, 1146, 2014, 65-78.
70
Ahmed, Zeeshan; Zeeshan, Sarman; Huber, Claudia; Hensel, Michael; Schomburg, Ditmar; Münch,
Richard; Eylert, Eva; Eisenreich, Wolfgang; Dandekar, Thomas: 'Isotopo' a database application for fac-
ile analysis and management of mass isotopomer data. Database, 2014, 2014, 1-8.
Berthelmann, Arne; Lach, Johannes; Gräwert, Melissa A.; Groll, Michael; Eichler, Jutta: Versatile C3-
symmetric scaffolds and their use for covalent stabilization of the foldon trimer. Org. Biomol. Chem., 12
(16), 2014, 2606.
Schatschneider, Sarah; Huber, Claudia; Neuweger, Heiko; Watt, Tony Francis; Pühler, Alfred; Eisenreich,
Wolfgang; Wittmann, Christoph; Niehaus, Karsten; Vorhölter, Frank-Jörg: Metabolic flux pattern of glu-
cose utilization by Xanthomonas campestris pv. campestris: prevalent role of the Entner–Doudoroff
pathway and minor fluxes through the pentose phosphate pathway and glycolysis. Molecular BioSys-
tems, 10 (10), 2014, 2663.
Flügel, Veronika; Vrabel, Milan; Schneider, Sabine: Structural basis for the site-specific incorporation of
lysine derivatives into proteins. PLOS One, 9 (4), 2014, e96198.
Lehrstuhl für Biotechnologie
Prof. Dr. Johannes Buchner
Röhl, Alina; Tippel, Franziska; Bender, Eevelyn; Schmid, Andreas B.; Richter, Klaus; Madl, Tobias; Buch-
ner, Johannes: Hop/Sti1 phosphorylation inhibits its co-chaperone function. EMBO reports, 16, 2014,
240-249.
Rehn, Alexandra Beatrice; Buchner, Johannes: p23 and Aha1. The Networking of Chaperones by Co-
chaperones Subcellular Biochemistry, 78, 2015, 113-131. First published: December 09, 2014.
Jahn, Markus; Rehn, Alexandra; Pelz, Benjamin; Hellenkamp, Björn; Richter, Klaus; Rief, Matthias;
Buchner, Johannes; Hugel, Thorsten: The charged linker of the molecular chaperone Hsp90 modulates
domain contacts and biological function. Proc Natl Acad Sci USA, 111 (50), 2014, 17881-17886.
Alvira, Sara; Cuéllar, Jorge; Röhl, Alina; Yamamoto, Soh; Itoh, Hideaki; Alfonso, Carlos; Rivas, Germán;
Buchner, Johannes; Valpuesta, José M.: Structural characterization of the substrate transfer mechanism
in Hsp70/Hsp90 folding machinery mediated by Hop. Nature Communications, 5, 2014, 5484.
Feige, Matthias J.; Buchner, Johannes: Principles and engineering of antibody folding and assembly. Bi-
ochimica et Biophysica Acta (BBA) - Proteins and Proteomics, 1844 (11), 2014, 2024-2031.
Girstmair, Hannah; Buchner, Johannes: GET Two for One. Molecular Cell, 56, 2014, 1-2.
Zierer, Bettina K.; Weiwad, Matthias; Rübbelke, Martin; Freiburger, Lee; Fischer, Gunter; Lorenz, Oliver
R.; Sattler, Michael; Richter, Klaus; Buchner, Johannes: Artificial Accelerators of the Molecular Chaper-
one Hsp90 Facilitate Rate-Limiting Conformational Transitions. Angew. Chem. Int. Ed., 53 (45), 2014,
12257-12262.
Papsdorf, Katharina; Richter, Klaus: Protein folding, misfolding and quality control: the role of molecular
chaperones. Essays Biochem., 56, 2014, 53-68.
71
Nokwe, Cardine N.; Zacharias, Martin; Yagi, Hisashi; Hora, Manuel; Reif, Bernd; Goto, Yuji; Buchner, Jo-
hannes: A Residue-specific Shift in Stability and Amyloidogenicity of Antibody Variable Domains. Journal
of Biological Chemistry, 289 (39), 2014, 26829-26846.
Papsdorf, Katharina; Sacherl, Julia; Richter, Klaus: The Balanced Regulation of Hsc70 by DNJ-13 and
UNC-23 Is Required for Muscle Functionality. Journal of Biological Chemistry, 289 (36), 2014, 25250-
25261.
Buchner, Johannes; Kessler, Horst: Protein Folding by Interaction. Structure, 22 (7), 2014, 936-937.
Feige, Matthias J.; Gräwert, Melissa A.; Marcinowski, Moritz; Hennig, Janosch; Behnke, Julia; Ausländer,
David; Herold, Eva M.; Peschek, Jirka; Castro, Caitlin D.; Flajnik, Martin; Hendershot, Linda M.; Sattler,
Michael; Groll, Michael; Buchner, Johannes: The structural analysis of shark IgNAR antibodies reveals
evolutionary principles of immunoglobulins. Proceedings of the National Academy of Sciences, 111 (22),
2014, 8155-8160.
Eckl, Julia M.; Drazic, Adrian; Rutz, Daniel A.; Richter, Klaus: Nematode Sgt1-Homologue D1054.3 Binds
Open and Closed Conformations of Hsp90 via Distinct Binding Sites. Biochemistry, 53 (15), 2014, 2505-
2514.
Paul, Atanu; Garcia, Yenni A.; Zierer, Bettina; Patwardhan, Chaitanya; Gutierrez, Omar; Hildenbrand,
Zacariah; Harris, Diondra C.; Balsiger, Heather A.; Sivils, Jeffrey C.; Johnson, Jill L.; Buchner, Johannes;
Chadli, Ahmed; Cox, Marc B.: The Cochaperone SGTA (Small Glutamine-rich Tetratricopeptide Repeat-
containing Protein Alpha) Demonstrates Regulatory Specificity for the Androgen, Glucocorticoid, and
Progesterone Receptors. Journal of Biological Chemistry, 289 (22), 2014, 15297-15308.
Jank, Johanna M.; Maier, Esther M.; Reiß, Dunja D.; Haslbeck, Martin; Kemter, Kristina F.; Truger, Mari-
etta S.; Sommerhoff, Christian P.; Ferdinandusse, Sacha; Wanders, Ronald J.; Gersting, Søren W.; Mun-
tau, Ania C.: The Domain-Specific and Temperature-Dependent Protein Misfolding Phenotype of Variant
Medium-Chain acyl-CoA Dehydrogenase. PLoS ONE,9 (8), 2014, e93852.
Lorenz, Oliver Robin; Freiburger, Lee; Rutz, Daniel Andreas; Krause, Maike; Zierer, Bettina Karolina; Alvi-
ra, Sara; Cuéllar, Jorge; Valpuesta, José María; Madl, Tobias; Sattler, Michael; Buchner, Johannes:
Modulation of the Hsp90 Chaperone Cycle by a Stringent Client Protein. Molecular Cell, 53, 2014, 941-
953.
Lehrstuhl für Biomolekulare NMR-Spektroskopie
Prof. Dr. Michael Sattler, PD Dr. Sonja A. Dames, Dr. Tobias Madl
Hennig, Janosch; Gebauer, Fatima; Sattler, Michael: Breaking the protein-RNA recognition code. Cell
Cycle, 13 (23), 2014, 3619-3620.
Holzmeister, Christian; Gaupels, Frank; Geerlof, Arie; Sarioglu, Hakan; Sattler, Michael; Durner, Jörg;
Lindermayr, Christian: Differential inhibition of Arabidopsis superoxide dismutases by peroxynitrite-
mediated tyrosine nitration. Journal of Experimental Botany, 66, 2014, 989-999.
72
Zierer, Bettina K.; Weiwad, Matthias; Rübbelke, Martin; Freiburger, Lee; Fischer, Gunter; Lorenz, Oliver
R.; Sattler, Michael; Richter, Klaus; Buchner, Johannes: Artificial Accelerators of the Molecular Chaper-
one Hsp90 Facilitate Rate-Limiting Conformational Transitions. Angew. Chem. Int. Ed., 53 (45), 2014,
12257-12262.
Hennig, Janosch; Militti, Cristina; Popowicz, Grzegorz M.; Wang, Iren; Sonntag, Miriam; Geerlof, Arie;
Gabel, Frank; Gebauer, Fátima; Sattler, Michael: Structural basis for the assembly of the Sxl–Unr transla-
tion regulatory complex. Nature, 515 (7526), 2014, 287-290.
Tripsianes, Konstantinos; Friberg, Anders; Barrandon, Charlotte; Brooks, Mark; van Tilbeurgh, Herman;
Seraphin, Bertrand; Sattler, Michael: A Novel Protein-Protein Interaction in the RES (REtention and Splic-
ing) Complex. Journal of Biological Chemistry, 289 (41), 2014, 28640-28650.
Schlundt, Andreas; Heinz, Gitta A; Janowski, Robert; Geerlof, Arie; Stehle, Ralf; Heissmeyer, Vigo; Nies-
sing, Dierk; Sattler, Michael: Structural basis for RNA recognition in roquin-mediated post-transcriptional
gene regulation. Nat. Struct. Mol. Biol., 21, 2014, 671-678.
Feige, Matthias J.; Gräwert, Melissa A.; Marcinowski, Moritz; Hennig, Janosch; Behnke, Julia; Ausländer,
David; Herold, Eva M.; Peschek, Jirka; Castro, Caitlin D.; Flajnik, Martin; Hendershot, Linda M.; Sattler,
Michael; Groll, Michael; Buchner, Johannes: The structural analysis of shark IgNAR antibodies reveals
evolutionary principles of immunoglobulins. Proceedings of the National Academy of Sciences, 111 (22),
2014, 8155-8160.
Hennig, Janosch; Sattler, Michael: The dynamic duo: Combining NMR and small angle scattering in
structural biology. Protein Science, 23, 2014, 669-682.
Piccoli, Giovanni; Onofri, Franco; Cirnaru, Maria D.; Kaiser, Christoph J. O.; Jagtap, Pranvinkumar.;
Kastenmüller, Andreas; Pischedda, Francesca; Marte, Antonella; von Zweydorf, Felix; Vogt, Andreas;
Giesert, Florian; Pan, Lifeng; Antonucci, Flavia; Kiel, Christina; Zhang, Mingjie; Weinkauf, Sevil; Sattler,
Michael; Sala, Carlo; Matteoli, Michaela; Ueffing, Marius; Gloeckner, Christian J.: Leucine-Rich Repeat
Kinase 2 Binds to Neuronal Vesicles through Protein Interactions Mediated by Its C-Terminal WD40 Do-
main. Molecular and Cellular Biology, 34 (12), 2014, 2147-2161.
Wang, Iren; Hennig, Janosch; Jagtap, Pravin K. A.; Sonntag, Miriam; Valcarcel, Juan; Sattler, Michael:
Structure, dynamics and RNA binding of the multi-domain splicing factor TIA-1. Nucleic Acids Research,
42, 2014, 5949-5966.
Schilling, Franz; Warner, Lisa R.; Gershenzon, Naum I.; Skinner, Thomas E.; Sattler, Michael; Glaser,
Steffen J.: Next-Generation Heteronuclear Decoupling for High-Field Biomolecular NMR Spectroscopy.
Angew. Chem. Int. Ed., 53 (17), 2014, 4475-4479.
Tripsianes, Konstantinos; Chu, Nam K.; Friberg, Anders; Sattler, Michael; Becker, Christian F. W.: Study-
ing Weak and Dynamic Interactions of Posttranslationally Modified Proteins using Expressed Protein Li-
gation. ACS Chem. Biol., 9 (2), 2014, 347-352.
Neuhaus, Alexander; Kooshapur, Hamed; Wolf, Janina; Meyer, Helge N.; Madl, Tobias; Saidowsky, Jür-
gen; Hambruch, Eva; Lassam, Anissa; Jung, Martin; Sattler, Michael; Schliebs, Wolfgang; Erdmann, Ralf:
73
A novel Pex14 interacting site of human Pex5 is critical for matrix protein import into peroxisomes. J Biol
Chem., 289 (1), 2014, 437-48.
Huang, Jie-rong; Warner, Lisa R.; Sanchez, Carolina; Gabel, Frank; Madl, Tobias; Mackereth, Cameron
D.; Sattler, Michael; Blackledge, Martin: Transient Electrostatic Interactions Dominate the Conformation-
al Equilibrium Sampled by Multidomain Splicing Factor U2AF65: A Combined NMR and SAXS Study. J.
Am. Chem. Soc., 136 (19), 2014, 7068-7076.
Karagöz, G. Elif; Duarte, Afonso M.S.; Akoury, Elias; Ippel, Hans; Biernat, Jacek; Morán Luengo, Tania;
Radli, Martina; Didenko, Tatiana; Nordhues, Bryce A.; Veprintsev, Dmitry B.; Dickey, Chad A.; Mandel-
kow, Eckhard; Zweckstetter, Markus; Boelens, Rolf; Madl, Tobias; Rüdiger, Stefan G.D.: Hsp90-Tau
Complex Reveals Molecular Basis for Specificity in Chaperone Action. Cell, 156, 2014, 963-974.
Göbl, Christoph; Madl, Tobias; Simon, Bernd; Sattler, Michael: NMR approaches for structural analysis
of multidomain proteins and complexes in solution. Progress in Nuclear Magnetic Resonance Spectros-
copy, 80, 2014, 26-63.
Lorenz, Oliver Robin; Freiburger, Lee; Rutz, Daniel Andreas; Krause, Maike; Zierer, Bettina Karolina; Alvi-
ra, Sara; Cuéllar, Jorge; Valpuesta, José María; Madl, Tobias; Sattler, Michael; Buchner, Johannes:
Modulation of the Hsp90 Chaperone Cycle by a Stringent Client Protein. Molecular Cell, 53, 2014, 941-
953.
Sommer, L. A. M.; Dames, Sonja A.: Characterization of residue-dependent differences in the peripheral
membrane association of the FATC domain of the kinase ‘target of rapamycin’ by NMR and CD spec-
troscopy, FEBS Lett. 588 (9), 2014, 1755-1766.
Sommer, L. A. M.; Bennett, D.; Janke, J.; Bürck, J.; Ulrich, A. S.; Tieleman, P.; Dames, S. A.: Characteri-
zation of the immersion properties of the peripheral membrane anchor of the FATC domain of the kinase
‘target of rapamycin’ by NMR, oriented CD spectroscopy and MD simulations. J. Phys. Chem. B., 118
(18), 2014, 4817-4831.
Tharun, Inga M.; Nieto, Lidia; Haase, Christian; Scheepstra, Marcel; Balk, Mark; Möcklinghoff, Sabine;
Adriaens, Wenke; Dames, Sonja A.; Brunsveld, Luc: Subtype-Specific Modulation of Estrogen Receptor–
Coactivator Interaction by Phosphorylation. ACS Chem. Biol., 10 (2), 2015, 475–484. First published
03.11.2014.
Lehrstuhl für Organische Chemie I
Prof. Dr. Thorsten Bach, Prof. Dr. Konrad Tiefenbacher, Dr. Tanja Gulder
Jungbauer, Stefan H.; Bulfield, David; Kniep, Florian; Lehmann, Christian W.; Herdtweck, Eberhardt; Hu-
ber, Stefan M.: Toward Molecular Recognition: Three-Point Halogen Bonding in the Solid State and in
Solution. J. Am. Chem. Soc., 136 (48), 2014, 16740-16743.
Aldemir, Hülya; Kohlhepp, Stefanie V.; Gulder, Tanja; Gulder, Tobias A. M.: Structure of a Putative Fluor-
inated Natural Product from Streptomyces sp. TC1. J. Nat. Prod., 77 (11), 2014, 2331-2334.
74
Brimioulle, Richard; Bach, Thorsten: [2+2] Photocycloaddition of 3-Alkenyloxy-2-cycloalkenones: Enan-
tioselective Lewis Acid Catalysis and Ring Expansion. Angew. Chem. Int. Ed., 53 (47), 2014, 12921-
12924.
Nitsch, Dominik; Pöthig, Alexander; Bach, Thorsten: Diastereoselective Oxidative Cross-Coupling Reac-
tions of Chiral Alkylbenzenes with Arenes and Silyl Nucleophiles. Synlett, 25 (17), 2014, 2434-2437.
Zhong, Fangrui; Bach, Thorsten: Enantioselective Construction of 2,3-Dihydrofuro[2,3- b ]quinolines
through Supramolecular Hydrogen Bonding Interactions. Chemistry - A European Journal, 20 (42), 2014,
13522-13526.
Fort, Diego A.; Woltering, Thomas J.; Alker, André M.; Bach, Thorsten: An Intramolecular [2 + 2] Photo-
cycloaddition Approach to Conformationally Restricted Bis-Pyrrolidines. J. Org. Chem., 79 (15), 2014,
7152-7161.
Nitsch, Dominik; Bach, Thorsten: Bismuth(III) Triflate-Catalyzed Synthesis of Substituted 2-
Alkenylfurans. J. Org. Chem., 79 (13), 2014, 6372-6379.
Schnapperelle, Ingo; Bach, Thorsten: Modular Synthesis of Phenanthro[9,10- c ]thiophenes by a Se-
quence of C-H Activation, Suzuki Cross-Coupling and Photocyclization Reactions. Chemistry - A Euro-
pean Journal, 20 (31), 2014, 9725-9732.
Weixler, Roland; Bach, Thorsten: [2+2] Photocycloaddition Studies on Complex Tetronic Acid Esters Re-
lated to the Synthesis of Cembranoid Diterpenes. Synthesis, 46 (19), 2014, 2663-2671.
Castelli, Riccardo; Schindler, Severin; Walter, Sebastian M.; Kniep, Florian; Overkleeft, Herman S.; Van
der Marel, Gijsbert A.; Huber, Stefan M.; Codée, Jeroen D. C.: Activation of Glycosyl Halides by Halogen
Bonding. Chemistry - An Asian Journal, 9 (8), 2014, 2095-2098.
Maturi, Mark M.; Bach, Thorsten: Enantioselective Catalysis of the Intermolecular [2+2] Photocycloaddi-
tion between 2-Pyridones and Acetylenedicarboxylates. Angew. Chem. Int. Ed., 53 (29), 2014, 7661-
7664.
Lenhart, Dominik; Bach, Thorsten: Visible-light-induced, Ir-catalyzed reactions of N -methyl- N -
((trimethylsilyl)methyl)aniline with cyclic α,β-unsaturated carbonyl compounds. Beilstein J. Org. Chem.,
10, 2014, 890-896.
Wamser, Maximilian; Bach, Thorsten: Regioselectivity of Intramolecular Rhodium-Catalyzed C–H Inser-
tion Reactions of α-Aryl-α-diazocarboxylates: Influence of the Aryl Substituent. Synlett 25 (08), 2014,
1081-1084.
Alonso, Rafael; Bach, Thorsten: A Chiral Thioxanthone as an Organocatalyst for Enantioselective [2+2]
Photocycloaddition Reactions Induced by Visible Light. Angew. Chem., 126 (17), 2014, 4457-4460.
Nitsch, Dominik; Huber, Stefan M.; Pöthig, Alexander; Narayanan, Arjun; Olah, George A.; Prakash, G. K.
Surya; Bach, Thorsten: Chiral Propargylic Cations as Intermediates in S N 1-Type Reactions: Substitu-
tion Pattern, Nuclear Magnetic Resonance Studies, and Origin of the Diastereoselectivity. J. Am. Chem.
Soc., 136, 2014, 2851-2857.
75
Jungbauer, Stefan H.; Walter, Sebastian M.; Schindler, Severin; Rout, Laxmidhar; Kniep, Florian; Huber,
Stefan M.: Activation of a carbonyl compound by halogen bonding. Chem. Commun., 50 (47), 2014,
6281.
Börding, Sandra; Bach, Thorsten: An enantioselective synthesis of the C24–C40 fragment of (−)-
pulvomycin. Chem. Commun., 50 (38), 2014, 4901.
Mayr, Florian; Wiegand, Christian; Bach, Thorsten: Enantioselective, intermolecular [2+2] photocycload-
dition reactions of 3-acetoxyquinolone: total synthesis of (−)-pinolinone. Chem. Commun., 50 (25), 2014,
3353.
Bach, Thorsten; A. Fort, Diego; J. Woltering, Thomas; M. Alker, André: Photochemical Reactions of
Prop-2-enyl and Prop-2-ynyl Substituted 4-Aminomethyl- and 4-Oxymethyl-2(5H)-furanones. HETERO-
CYCLES, 88, 2014, 1079.
Tiefenbacher, Konrad; Zhang, Kang-da; Ajami, Dariush; Rebek, Julius, Jr.: Robust hydrogen-bonded
capsules with stability in competitive media. Journal of Physical Organic Chemistry, 28 (3), 2015, 187-
190. First published 26.09.2014.
Räder, Andreas; Tiefenbacher, Konrad: Tertiary Alcohols as Substrates for SN2-Like Stereoinversion.
Angew. Chem. Int. Ed., 53, 2014, 1206.
Gulder, Tanja; Gulder, Tobias A. M.: Hydrofunktionalisierung mit unüblicher Regioselektivität. Nachrich-
ten aus der Chemie 62, 2014, 869-872.
Gulder, Tanja; Gulder, Tobias A. M.: Ein Sesquiterpen gegen das Vergessen. Nachrichten aus der Che-
mie, 62 (7-8), 2014, 765-768.
Gulder, Tanja; Gulder, Tobias A. M.: Biosynthese im Reagenzglas. Nachrichten aus der Chemie, 62 (11),
2014, 1081-1084.
Gulder, Tanja; Gulder, Tobias A. M.: Chemistry in Stereo: The 49th Bürgenstock Conference. Angew.
Chem., 126, 2014, 9572–9574; Angew. Chem., Int. Ed., 53 (36), 2014, 9418-9420.
Gulder, Tanja; Gulder, Tobias A. M.: H als Abgangsgruppe. Nachrichten aus der Chemie, 62, 2014, 534-
537.
Gulder, Tanja; Gulder, Tobias A. M.: Enantioselektive Fluorcyclisierungen. Nachrichten aus der Chemie,
62, 2014, 39-42.
Lehrstuhl für Organische Chemie II
Prof. Dr. Stephan A. Sieber
Harvey, Natalie L.; Krysiak, Joanna; Chamni, Supakarn; Cho, Sung Wook; Sieber, Stephan A.; Romo,
Daniel: Synthesis of (±)-Spongiolactone Enabling Discovery of a More Potent Derivative. Chemistry - A
European Journal, 21, 2014, 1425-1428.
76
Eirich, Jürgen; Braig, Simone; Schyschka, Liliana; Servatius, Phil; Hoffmann, Judith; Hecht, Sabrina;
Fulda, Simone; Zahler, Stefan; Antes, Iris; Kazmaier, Uli; Sieber, Stephan A.; Vollmar, Angelika M.: A
Small Molecule Inhibits Protein Disulfide Isomerase and Triggers the Chemosensitization of Cancer
Cells. Angew. Chem. Int. Ed., 53 (47), 2014, 12960-12965.
Dubiella, Christian; Cui, Haissi; Gersch, Malte; Brouwer, Arwin J.; Sieber, Stephan A.; Krüger, Achim;
Liskamp, Rob M. J.; Groll, Michael: Selective Inhibition of the Immunoproteasome by Ligand-Induced
Crosslinking of the Active Site. Angew. Chem. Int. Ed., 53 (44), 2014, 11969-11973.
Wüstner, Stefanie; Mejías-Luque, Raquel; Koch, Maximilian F.; Rath, Eva; Vieth, Michael; Sieber, Steph-
an A.; Haller, Dirk; Gerhard, Markus: H elicobacter pylori γ-glutamyltranspeptidase impairs T-lymphocyte
function by compromising metabolic adaption through inhibition of cMyc and IRF4 expression. Cell Mi-
crobiol., 17 (1), 2014, 51-61.
Nodwell, Matthew B.; Koch, Maximilian F.; Alte, Ferdinand; Schneider, Sabine; Sieber, Stephan A.: A
Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage. J. Am.
Chem. Soc., 136 (13), 2014, 4992-4999.
Weinandy, Franziska; Lorenz-Baath, Katrin; Korotkov, Vadim S.; Böttcher, Thomas; Sethi, Shneh;
Chakraborty, Trinad; Sieber, Stephan A.: A β-Lactone-Based Antivirulence Drug Ameliorates Staphylo-
coccus aureus Skin Infections in Mice. ChemMedChem, 9 (4), 2014, 710-713.
Gersch, Malte; Kolb, Roman; Alte, Ferdinand; Groll, Michael; Sieber, Stephan A.: Disruption of Oligomer-
ization and Dehydroalanine Formation as Mechanisms for ClpP Protease Inhibition. J. Am. Chem. Soc.,
136, 2014, 1360-1366.
Kunzmann, Martin H.; Bach, Nina C.; Bauer, Bianca; Sieber, Stephan A.: α-Methylene-γ-butyrolactones
attenuate Staphylococcus aureus virulence by inhibition of transcriptional regulation. Chem. Sci., 5,
2014, 1158-1167.
Kreuzer, Johannes; Bach, Nina C.; Forler, Daniel; Sieber, Stephan A.: Target discovery of acivicin in can-
cer cells elucidates its mechanism of growth inhibition. Chem. Sci., 6, 2015, 237-245. First published
09.09.2014.
Carl-von-Linde-Professur – TUM Istitute of Advanced Study (IAS)
Prof. Dr. Dr. h.c. Horst Kessler
Pallarola, Diego; Bochen, Alexander; Boehm, Heike; Rechenmacher, Florian; Sobahi, Tariq R.; Spatz,
Joachim P.; Kessler, Horst: Interface Immobilization Chemistry of cRGD-based Peptides Regulates In-
tegrin Mediated Cell Adhesion. Adv Funct Mater., 24 (7), 2014, 943-956.
Marelli, Udaya Kiran; Frank, Andreas O.; Wahl, Bernhard; La Pietra, Valeria; Novellino, Ettore; Marinelli,
Luciana; Herdtweck, Eberhardt; Groll, Michael; Kessler, Horst: Receptor-Bound Conformation of Cilen-
gitide Better Represented by Its Solution-State Structure than the Solid-State Structure. Chemistry - A
European Journal, 20 (44), 2014, 14201-14206.
77
Müller, Martina A.; Brunie, Leonora; Bächer, Anne-Sophie; Kessler, Horst; Gottschalk, Kay-Eberhard;
Reuning, Ute: Cytoplasmic salt bridge formation in integrin αvß3 stabilizes its inactive state affecting in-
tegrin-mediated cell biological effects. Cell Signal., 26 (11), 2014, 2493-503.
Buchner, Johannes; Kessler, Horst: Protein Folding by Interaction. Structure, 22 (7), 2014, 936-937.
Hegemann, Julian D.; De Simone, Mariarosaria; Zimmermann, Marcel; Knappe, Thomas A.; Xie, Xiulan;
Di Leva, Francesco S.; Marinelli, Luciana; Novellino, Ettore; Zahler, Stefan; Kessler, Horst; Marahiel, Mo-
hamed. A.: Rational improvement of the affinity and selectivity of integrin binding of grafted lasso pep-
tides. J Med Chem., 57 (13), 2014, 5829-34.
Ray, Anne-Marie; Schaffner, Florence; Janouskova, Hana; Noulet, Fanny; Rognan, Didier; Lelong-Rebel,
Isabelle; Choulier, Laurence; Blandin, Anne-Florence; Lehmann, Maxime; Martin, Sophie; Kapp, Tobias;
Neubauer, Stefanie; Rechenmacher, Florian; Kessler, Horst; Dontenwill, Monique: Single cell tracking
assay reveals an opposite effect of selective small non-peptidic α5β1 or αvβ3/β5 integrin antagonists in
U87MG glioma cells. Biochim Biophys Acta, 1840 (9), 2014, 2978-87.
Rechenmacher, Florian; Steigerwald, Kristin; Laufer, Burkhardt; Neubauer, Stefanie; Kapp, Tobias G.; Li,
Liang; Mas-Moruno, Carlos; Joner, Michael; Kessler, Horst: The integrin ligand c(RGDf(NMe)Nal) reduces
neointimal hyperplasia in a polymer-free drug-eluting stent system. ChemMedChem., 9 (7), 2014, 1413-
8.
Šimeček, Jakub; Notni, Johannes; Kapp, Tobias G.; Kessler, Horst; Wester, Hans-Jürgen: Benefits of
NOPO As Chelator in Gallium-68 Peptides, Exemplified by Preclinical Characterization of 68 Ga-NOPO–
c(RGDfK). Molecular Pharmaceutics, 11 (5), 2014, 1687-1695.
Neubauer, Stefanie; Rechenmacher, Florian; Brimioulle, Richard; Di Leva, Francesco S.; Bochen, Alex-
ander; Sobahi, Tareq R.; Schottelius Margret; Novellino, Ettore; Mas-Moruno, Carlos; Marinelli, Luciana;
Kessler, Horst: Pharmacophoric modifications lead to superpotent αvβ3 integrin ligands with suppressed
α5β1 activity. J Med Chem., 57 (8), 2014, 3410-7.
Medda, Rebecca; Helth, Arne; Herre, Patrick; Pohl, Darius; Rellinghaus, Bernd; Perschmann, Nadine;
Neubauer, Stefanie; Kessler, Horst; Oswald, Steffen; Eckert, Jürgen; Spatz, Joachim P.; Gebert, Annett;
Cavalcanti-Adam, Elisabetta A.: Investigation of early cell-surface interactions of human mesenchymal
stem cells on nanopatterned β-type titanium-niobium alloy surfaces. Interface Focus, 4 (1), 2014,
20130046.
Beer, Ambros J.; Pelisek, Jaroslav; Heider, Peter; Saraste, Antti; Reeps, Christian; Metz, Stephan; Seidl,
Stefan; Kessler, Horst; Wester, Hans-Jürgen; Eckstein, Hans Henning; Schwaiger, Markus: PET/CT Im-
aging of Integrin αvβ3 Expression in Human Carotid Atherosclerosis. JACC: Cardiovascular Imaging, 7
(2), 2014, 178-187.
Conibear, Anne C.; Bochen, Alexander; Rosengren, K. Johan; Stupar, Petar; Wang, Conan; Kessler,
Horst; Craik, David J.: The cyclic cystine ladder of theta-defensins as a stable, bifunctional scaffold: A
proof-of-concept study using the integrin-binding RGD motif. Chembiochem, 15 (3), 2014, 451-9.
78
Professur für Biosystemchemie
Prof. Tobias A. M. Gulder
Aldemir, Hülya; Kohlhepp, Stefanie V.; Gulder, Tanja; Gulder, Tobias A. M.: Structure of a Putative Fluor-
inated Natural Product from Streptomyces sp. TC1. J. Nat. Prod., 77 (11), 2014, 2331-2334.
Gulder, Tobias A. M.: Directed Selectivity in Organic Synthesis. A Practical Guide. By Tanja Gaich and
Ekkehard Winterfeld. Angew. Chem. Int. Ed. 53 (51), 2014, 13969-13969.
Gulder, Tanja; Gulder, Tobias A. M.: Biosynthese im Reagenzglas. Nachrichten aus der Chemie, 62 (11),
2014, 1081-1084.
Gulder, Tanja; Gulder, Tobias A. M.: Hydrofunktionalisierung mit unüblicher Regioselektivität. Nachrich-
ten aus der Chemie, 62, 2014, 869-872.
Gulder, Tanja; Gulder, Tobias A. M.: Chemistry in Stereo: The 49th Bürgenstock Conference. Angew.
Chem., 126, 2014, 9572–9574; Angew. Chem., Int. Ed., 53 (36), 2014, 9418-9420.
Aldemir, Hülya; Richarz, René; Gulder, Tobias A. M.: The Biocatalytic Repertoire of Natural Biaryl For-
mation. Angew. Chem. Int. Ed., 53 (32), 2014, 8286-8293.
Gulder, Tanja; Gulder, Tobias A. M.: Ein Sesquiterpen gegen das Vergessen. Nachrichten aus der Che-
mie, 62 (7-8), 2014, 765-768.
Gulder, Tanja; Gulder, Tobias A. M.: H als Abgangsgruppe. Nachrichten aus der Chemie, 62, 2014, 534-
537.
Antosch, Janine; Schaefers, Françoise; Gulder, Tobias A. M.: Heterologous Reconstitution of Ika-
rugamycin Biosynthesis in E. coli. Angew. Chem. Int. Ed., 53 (11), 2014, 3011-3014.
Gulder, Tanja; Gulder, Tobias A. M.: Enantioselektive Fluorcyclisierungen. Nachrichten aus der Chemie,
62, 2014, 39-42.
Professur für Festkörper-NMR-Spektroskopie
Prof. Dr. Bernd Reif
Krushelnitsky, Alexey; Zinkevich, Tatiana; Reif, Bernd; Saalwächter, Kay: Slow motions in microcrystal-
line proteins as observed by MAS-dependent 15N rotating-frame NMR relaxation. Journal of Magnetic
Resonance, 248, 2014, 8-12.
Nokwe, Cardine. N.; Zacharias, Martin; Yagi, Hisashi; Hora, Manuel; Reif, Bernd; Goto, Yuji; Buchner,
Johannes: A Residue-specific Shift in Stability and Amyloidogenicity of Antibody Variable Domains.
Journal of Biological Chemistry, 289 (39), 2014, 26829-26846.
Amo, Juan Miguel Lopez del; Agarwal, Vipin; Sarkar, Riddhiman; Porter, Justin; Asami, Sam; Rübbelke,
Martin; Fink, Uwe; Xue, Yi; Lange, Oliver F.; Reif, Bernd: Site-specific analysis of heteronuclear Overhau-
ser effects in microcrystalline proteins. Journal of Biomolecular NMR, 59, 2014, 241-249.
79
Linser, Rasmus; Sarkar, Riddhiman; Krushelnitzky, Alexey; Mainz, Andi; Reif, Bernd: Dynamics in the
solid-state: perspectives for the investigation of amyloid aggregates, membrane proteins and soluble
protein complexes. Journal of Biomolecular NMR, 59, 2014, 1-14.
Professur für Organische Chemie
Prof. Dr. Lukas Hintermann
Maltsev, Oleg V.; Rausch, Rodger; Quan, Zheng-Jun; Hintermann, Lukas: Synthesis of Soai Type 2-
Arylpyrimidine-5-carbaldehydes through Desulfurative Cross-Coupling with Arylboronic Acids. European
Journal of Organic Chemistry, 2014 (33), 2014, 7426-7432.
Maltsev, Oleg V.; Yue, Ling; Rebarz, Mateusz; Hintermann, Lukas; Sliwa, Michel; Ruckebusch, Cyril; Pe-
jov, Ljupčo; Liu, Ya-Jun; Naumov, Panče: Vibrational Spectra of Chemical and Isotopic Variants of Ox-
yluciferin, the Light Emitter of Firefly Bioluminescence. Chemistry - A European Journal, 20 (34), 2014,
10782-10790.
Jensen, Marianne Winkler; Støchkel, Kristian; Kjær, Christina; Knudsen, Jeppe Langeland; Maltsev, Oleg
V.; Hintermann, Lukas; Naumov, Panče; Milne, Bruce F.; Nielsen, Steen Brøndsted: Photoinduced dis-
sociation mass spectroscopy of firefly oxyluciferin anions. International Journal of Mass Spectrometry,
365-366, 2014, 3-9.
Maltsev, Oleg V.; Pöthig, Alexander; Hintermann, Lukas: Synthesis of Soai Aldehydes for Asymmetric
Autocatalysis by Desulfurative Cross-Coupling. Organic Letters, 16, 2014, 1282-1285.
Professur für Organische Chemie
Prof. Dr. Steffen Glaser
Köcher, S. S.; Heydenreich, Thomas; Glaser, Steffen J.: Visualization and analysis of modulated pulses
in magnetic resonance by joint time–frequency representations. Journal of Magnetic Resonance, 249,
2014, 63-71.
Braun, Michael; Glaser, Steffen J: Concurrently optimized cooperative pulses in robust quantum control:
application to broadband Ramsey-type pulse sequence elements. New J. Phys. 16 (11), 2014, 115002.
Zimborás, Zoltán; Zeier, Robert; Keyl, Michael; Schulte-Herbrüggen, Thomas: A dynamic systems ap-
proach to fermions and their relation to spins. EPJ Quantum Technology, 1 (11), 2014.
Wei, Daxiu; Spörl, Andreas; Chang, Yan; Khaneja, Navin; Yang, Xiaodong; Glaser, Steffen J.: Time-
optimized quantum gates on linear three-qubit systems with indirect Ising coupling. Chemical Physics
Letters, 612, 2014, 143-150.
Bergander, Klaus; Hüls, Dietmar; Glaser, Steffen J.; Günther, Harald; Luy, Burkhard: A critical evaluation
of heteronuclear TOCSY (HEHAHA) experiments for 1 H, 6 Li spin pairs. Magnetic Resonance in Chemis-
try, 52 (12), 2014, 739-744.
80
Khegai, Oleksandr; Schulte, Rolf F.; Janich, Martin A.; Menzel, Marion I.; Farrell, E; Otto, A. M.; Ar-
denkjaer-Larsen, J. H.; Glaser, Steffen J.; Haase, Axel; Schwaiger, Markus; Wiesinger, Florian: Apparent
rate constant mapping using hyperpolarized [1-13 C]pyruvate. NMR in Biomedicine, 27 (10), 2014, 1256-
1265.
Lapert, Marc; Assémat, Elie; Glaser, Steffen J.; Sugny, Dominique: Optimal control of the signal-to-noise
ratio per unit time for a spin-1/2 particle. Physical Review A, 90, 2014.
Van Damme, Léo; Zeier, Robert; Glaser, Steffen J.; Sugny, Dominique: Application of the Pontryagin
maximum principle to the time-optimal control in a chain of three spins with unequal couplings. Physical
Review A, 90, 2014.
Wei, Daxiu; Chang, Yan; Glaser, Steffen J.; Yang, Xiaodong: Cooperative pulses for pseudo-pure state
preparation. Applied Physics Letters, 104 (24), 2014, 242409.
Keyl, Michael; Zeier, Robert; Schulte-Herbrüggen, Thomas: Controlling several atoms in a cavity. New J.
Phys., 16, 2014, 065010.
Yuan, Haidong; Wei, Daxiu; Zhang, Yajuan; Glaser, Steffen; Khaneja, Navin: Efficient synthesis of quan-
tum gates on indirectly coupled spins. Physical Review A, 89, 2014.
Schilling, Franz; Warner, Lisa R.; Gershenzon, Naum I.; Skinner, Thomas E.; Sattler, Michael; Glaser,
Steffen J.: Next-Generation Heteronuclear Decoupling for High-Field Biomolecular NMR Spectroscopy.
Angew. Chem. Int. Ed., 53 (17), 2014, 4475-4479.
Dolde, Florian; Bergholm, Ville; Wang, Ya; Jakobi, Ingmar; Naydenov, Boris; Pezzagna, Sébastien; Mei-
jer, Jan; Jelezko, Fedor; Neumann, Philipp; Schulte-Herbrüggen, Thomas; Biamonte, Jacob; Wrachtrup,
Jörg: High-fidelity spin entanglement using optimal control. Nature Communications 5, 2014, 3371.
Waldherr, G.; Wang, Y; Zaiser, S.; Jamali, M.; Schulte-Herbrüggen, T.; Abe, H.; Ohshima, T.; Isoya, J.;
Du, J. F.; Neumann, P.; Wrachtrup, J.: Quantum error correction in a solid-state hybrid spin register.
Nature, 506 (7487), 2014, 204-207.
Gómez Damián, Pedro A.; Sperl, Jonathan I.; Janich, Martin A.; Khegai, Oleksandr; Wiesinger, Florian;
Glaser, Steffen J.; Haase, Axel; Schwaiger, Markus; Schulte, Rolf F.; Menzel, Marion I.: Multisite Kinetic
Modeling of 13 C Metabolic MR Using [1- 13 C]Pyruvate. Radiology Research and Practice, 2014, 2014,
1-10.
Professur für Proteinchemie
Prof. Dr. Aymelt Itzen
Yin, Guowei; Lopes da Fonseca, Tomas; Eisbach, Sibylle E.; Anduaga, Ane Martín; Breda, Carlo; Orcel-
let, Maria L.; Szegő, Éva M.; Guerreiro, Patricia; Lázaro, Diana F.; Braus, Gerhard H.; Fernandez, Claudio
O.; Griesinger, Christian; Becker, Stefan; Goody, Roger S.; Itzen, Aymelt; Giorgini, Flaviano; Outeiro, Ti-
ago F.; Zweckstetter, Markus: α-Synuclein interacts with the switch region of Rab8a in a Ser129 phos-
phorylation-dependent manner. Neurobiology of Disease, 70, 2014, 149-161.
81
Dolinsky, S.; Haneburger, I.; Cichy, A.; Hannemann, M.; Itzen, A.; Hilbi, H.: The Legionella longbeachae
Icm/Dot Substrate SidC Selectively Binds Phosphatidylinositol 4-Phosphate with Nanomolar Affinity and
Promotes Pathogen Vacuole-Endoplasmic Reticulum Interactions. Infection and Immunity, 82 (10), 2014,
4021-4033.
Gavriljuk, Konstantin; Schartner, Jonas; Itzen, Aymelt; Goody, Roger S.; Gerwert, Klaus; Kötting, Car-
sten: Reaction Mechanism of Adenylyltransferase DrrA from Legionella pneumophila Elucidated by
Time-Resolved Fourier Transform Infrared Spectroscopy. J. Am. Chem. Soc., 136 (26), 2014, 9338-9345.
Hedberg, Christian; Goody, Roger S.; Itzen, Aymelt: Functional Analysis of Host-Pathogen Posttransla-
tional Modification Crosstalk of Rab Proteins. Concepts and Case Studies in Chemical Biology, 2014.
Gazdag, Emerich Mihai; Schöbel, Stefan; Shkumatov, Alexander V.; Goody, Roger S.; Itzen, Aymelt: The
structure of the N-terminal domain of the Legionella protein SidC. Journal of Structural Biology, 186,
2014, 188-194.
Langemeyer, Lars; Nunes Bastos, Ricardo; Cai, Yiying; Itzen, Aymelt; Reinisch, Karin M; Barr, Francis A:
Diversity and plasticity in Rab GTPase nucleotide release mechanism has consequences for Rab activa-
tion and inactivation. eLife, 3, 2014, e01623.
Li, Fu; Yi, Long; Zhao, Lei; Itzen, Aymelt; Goody, Roger S.; Wu, Yao-Wen: The role of the hypervariable
C-terminal domain in Rab GTPases membrane targeting. Proceedings of the National Academy of Sci-
ences, 111, 2014, 2572-2577.
Spiegel, Jochen; Cromm, Philipp M.; Itzen, Aymelt; Goody, Roger S.; Grossmann, Tom N.; Waldmann,
Herbert: Direct Targeting of Rab-GTPase-Effector Interactions. Angew. Chem. Int. Ed., 53, 2014, 2498-
2503.
Professur für Strukturelle Membranbiochemie
Prof. Franz Hagn
Linser Rasmus Gelev Vladimir; Hagn Franz; Arthanari Haribabu; Hyberts Sven; Wagner Gerhard: Selec-
tive methyl labeling of eukaryotic membrane proteins using cell-free expression, J. Am. Chem. Soc.,
136, 2014, 11308-11310.
82
Physikalische und Theoretische Chemie
Lehrstuhl für Technische Elektrochemie
Prof. Dr. Hubert A. Gasteiger
Bernhard, Rebecca; Meini, Stefano; Gasteiger, Hubert A.: On-Line Electrochemical Mass Spectrometry
Investigations on the Gassing Behavior of Li4Ti5O12 Electrodes and Its Origins. Journal of the Electro-
chemical Society, 161, 2014, A497-A505.
Meini, Stefano; Solchenbach, S.; Piana, Michele; Gasteiger, Hubert A.: The Role of Electrolyte Solvent
Stability and Electrolyte Impurities in the Electrooxidation of Li2O2 in Li-O2 Batteries. Journal of the
Electrochemical Society, 161, 2014, A1306-A1314.
Lu, Yi-Chun, He, Qi, Gasteiger, Hubert A.: Probing the Lithium–Sulfur Redox Reactions: A Rotating-Ring
Disk Electrode Study. J. Phys. Chem. C, 118 (11), 2014, 5733-5741.
Meini, Stefano; Elazari, Ran; Rosenman, Ariel; Garsuch, Arnd; Aurbach, Doron: The Use of Redox Me-
diators for Enhancing Utilization of Li 2 S Cathodes for Advanced Li–S Battery Systems. J. Phys. Chem.
Lett., 5 (5), 2014, 915-918.
Zinth, Veronika, von Lüders, Christian, Hofmann, Michael, Hattendorff, Johannes, Buchberger, Irmgard,
Erhard, Simon, Rebelo-Kornmeier, Joana, Jossen, Andreas, Gilles, Ralph: Lithium plating in lithium-ion
batteries at sub-ambient temperatures investigated by in situ neutron diffraction. Journal of Power
Sources, 271, 2014, 152-159.
Rheinlander, Philipp J.; Herranz, Juan; Durst, Julien; Gasteiger, Hubert A.: Kinetics of the Hydrogen Oxi-
dation/Evolution Reaction on Polycrystalline Platinum in Alkaline Electrolyte Reaction Order with Respect
to Hydrogen Pressure. Journal of the Electrochemical Society, 161 (14), 2014, F1448-F1457.
Piana, Michele; Wandt, Johannes; Meini, Stefano; Buchberger, Irmgard; Tsiouvaras, Nsiouvaras; Gastei-
ger, Hubert A.: Stability of a Pyrrolidinium-Based Ionic Liquid in Li-O2 Cells. Journal of the Electrochemi-
cal Society, 161 (14), 2014, A1992-A2001.
Durst, Julien, Siebel, Armin, Simon, Christoph, Hasché, Frédéric, Herranz, Juan, Gasteiger, Hubert A.:
New insights into the electrochemical hydrogen oxidation and evolution reaction mechanism. Energy
Environ. Sci., 7, 2014, 2255-2260.
Lehrstuhl für Physikalische Chemie
Prof. Ueli Heiz, Prof. Ulrich Boesl-von Grafenstein, PD Dr. Friedrich Esch
Li, Juan; Wieghold, Sarah; Öner, Murat Anil; Simon, Patrick; Hauf, Moritz V.; Margapoti, Emanuela; Gar-
rido, Jose A.; Esch, Friedrich; Palma, Carlos-Andres; Barth, Johannes V.: Three-Dimensional Bicompo-
nent Supramolecular Nanoporous Self-Assembly on a Hybrid All-Carbon Atomically Flat and
Transparent Platform. Nano Letters, 14, 2014, 4486-4492.
Tang, Xin; Bumueller, Dennis; Lim, Alane; Schneider, John; Heiz, Ulrich; Gantefoer, Gerd Gerd; Fair-
brother, D. Howard; Bowen, Kit Hansell: Catalytic Dehydration of 2-Propanol by Size-Selected (WO3 ) n
and (MoO3 ) n Metal Oxide Clusters. J. Phys. Chem. C, 118 (50), 2014, 29278-29286.
83
Kunz, Sebastian; Maturi, Mark M.; Schrader, Imke; Backenköhler, Jana; Tschurl, Martin; Heiz, Ueli: Same
ligand – Different binding: A way to control the binding of N-acetyl-cysteine (NAC) to Pt clusters. Journal
of Colloid and Interface Science, 426, 2014, 264-269.
Nienhaus, Lea; Scott, Gregory E.; Haasch, Richard T.; Wieghold, Sarah; Lyding, Joseph W.; Gruebele,
Martin: Transparent Metal Films for Detection of Single-Molecule Optical Absorption by Scanning Tun-
neling Microscopy. J. Phys. Chem. C, 118 (24), 2014, 13196-13202.
Kartouzian, Aras; Antonowicz, Jerzy; Lünskens, Tobias; Lagogianni, Alexandra; Heister, Philipp; Evange-
lakis, Georgios; Felici, Roberto: Toward cluster-assembled metallic glasses. Mater. Express, 4 (3), 2014,
228-234.
Reithmeier, Richard O.; Meister, Simon; Rieger, Bernhard; Siebel, Armin; Tschurl, Martin; Heiz, Ulrich;
Herdtweck, Eberhardt: Mono- and bimetallic Ir( iii ) based catalysts for the homogeneous photocatalytic
reduction of CO2 under visible light irradiation. New insights into catalyst deactivation. Dalton Trans., 43,
2014, 13259-13269.
Tang, Xin; Schneider, J.; Dollinger, A.; Luo, Y.; Wörz, A. S.; Judai, K.; Abbet, S.; Kim, Y. D.; Ganteför, G.
F.; Fairbrother, D. H.; Heiz, U.; Bowen, K. H.; Proch, S.: Very small “window of opportunity” for generat-
ing CO oxidation-active Aun on TiO2. Phys. Chem. Chem. Phys., 16 (14), 2014, 6735-6742.
Titze, Katharina; Zollitsch, Tilo; Heiz, Ulrich; Boesl, Ulrich: Laser Mass Spectrometry with Circularly Po-
larized Light: Circular Dichroism of Cold Molecules in a Supersonic Gas Beam. ChemPhysChem, 15 (13),
2014, 2762.
Heister, Philipp; Lunskens, Tobias; Thamer, Martin; Kartouzian, Aras; Gerlach, Sabine; Verbiest, Thierry;
Heiz, Ueli: Orientational changes of supported chiral 2,2[prime or minute]-dihydroxy-1,1[prime or mi-
nute]binaphthyl molecules. Phys. Chem. Chem. Phys., 16, 2014, 7299-7306.
Parry, Imogen S.; Hermes, Alexander C.; Kartouzian, Aras; Mackenzie, Stuart R.: Imaging the photodis-
sociation dynamics of neutral metal clusters: copper dimer, Cu2, and copper oxide, CuO. Phys. Chem.
Chem. Phys., 16, 2014, 458-466.
Thämer, Martin; Kartouzian, Aras; Heister, Philipp; Lünskens, Tobias; Gerlach, Sabine; Heiz, Ulrich:
Small Supported Plasmonic Silver Clusters. Small, 10 (12), 2014, 2340.
Wettergren, Kristina; Schweinberger, Florian F; Deiana, Davide; Ridge, Claron J; Crampton, Andrew S;
Rötzer, Marian; Hansen, Thomas Willum; Zhdanov, Vladimir P; Heiz, Ueli; Langhammer, Christoph: High
Sintering Resistance of Size-Selected Platinum Cluster Catalysts by Suppressed Ostwald Ripening.
Nano Letters, 14 (10), 2014, 5803.
Lehrstuhl für Theoretische Chemie
Prof. Dr. Karsten Reuter
Gelin, Maxim F.: Markovian master equation for a classical particle coupled with arbitrary strength to a
harmonic bath. J. Chem. Phys., 141 (21), 2014, 214109.
84
Matera, Sebastian; Maestri, Matteo; Cuoci, Alberto; Reuter, Karsten: Predictive-Quality Surface Reaction
Chemistry in Real Reactor Models: Integrating First-Principles Kinetic Monte Carlo Simulations into
Computational Fluid Dynamics. ACS Catalysis, 11, 2014, 4081-4092.
Schneider, Julian; Reuter, Karsten: Efficient Calculation of Microscopic Dissolution Rate Constants: The
Aspirin–Water Interface. J. Phys. Chem. Lett., 21, 2014, 3859-3862.
Greiner, Maximilian; Elts, Ekaterina; Schneider, Julian; Reuter, Karsten; Briesen, Heiko: Dissolution study
of active pharmaceutical ingredients using molecular dynamics simulations with classical force fields.
Journal of Crystal Growth, 405, 2014, 122-130.
Diller, Katharina; Klappenberger, Florian; Allegretti, Francesco; Papageorgiou, Anthoula C.; Fischer,
Sybille; Duncan, David A.; Maurer, Reinhard J.; Lloyd, Julian A.; Oh, Seung Cheol; Reuter, Karsten;
Barth, Johannes V.: Temperature-dependent templated growth of porphine thin films on the (111) facets
of copper and silver. J. Chem. Phys., 141 (14), 2014, 144703.
Zaum, Christopher; Meyer, Jörg; Reuter, Karsten; Morgenstern, Karina: Quantitative determination of a
nano-object's atom density without atomic resolution. Physical Review B, 90 (16), 2014.
Schneider, Julian; Zheng, Chen; Reuter, Karsten: Thermodynamics of surface defects at the aspi-
rin/water interface. J. Chem. Phys., 141 (12), 2014, 124702.
Santana, Juan A.; Krüger, Sven; Rösch, Notker: Monolayer Nanoislands of Pt on Au and Cu: A First-
Principles Computational Study. J. Phys. Chem. C, 118 (38), 2014, 22102-22110.
Savoca, Marco; Langer, Judith; Harding, Dan J.; Palagin, Dennis; Reuter, Karsten; Dopfer, Otto; Fielicke,
André: Vibrational spectra and structures of bare and Xe-tagged cationic SinOm+ clusters. J. Chem.
Phys. 141 (10), 2014, 104313.
Liu, Xiaojun; Sobolewski, Andrzej L.; Domcke, Wolfgang: Photoinduced Oxidation of Water in the Pyri-
dine–Water Complex: Comparison of the Singlet and Triplet Photochemistries. J. Phys. Chem. A 118
(36), 2014, 7788-7795.
Picconi, David; Grebenshchikov, Sergy Yu.: Signatures of a conical intersection in photofragment distri-
butions and absorption spectra: Photodissociation in the Hartley band of ozone. J. Chem. Phys., 141,
2014, 074311.
Berger, Daniel; Logsdail, Andrew J.; Oberhofer, Harald; Farrow, Matthew R.; Catlow, C. Richard A.;
Sherwood, Paul; Sokol, Alexey A.; Blum, Volker; Reuter, Karsten: Embedded-cluster calculations in a
numeric atomic orbital density-functional theory framework. J. Chem. Phys., 141, 2014, 024105.
Hoffmann, Max J.; Matera, Sebastian; Reuter, Karsten: kmos: A lattice kinetic Monte Carlo framework.
Computer Physics Communications, 185, 2014, 2138-2150.
Krčmář, Jindřich; Gelin, Maxim F; Egorova, Dassia; Domcke, Wolfgang: Signatures of conical intersec-
tions in two-dimensional electronic spectra. J. Phys. B: At. Mol. Opt. Phys., 47 (12), 2014, 124019.
85
Denysenko, Dmytro; Grzywa, Maciej; Jelic, Jelena; Reuter, Karsten; Volkmer, Dirk: Scorpionate-Type
Coordination in MFU-4 l Metal-Organic Frameworks: Small-Molecule Binding and Activation upon the
Thermally Activated Formation of Open Metal Sites. Angew. Chem. Int. Ed., 53 (23), 2014, 5832-5836.
Mondal, Padmabati; Domcke, Wolfgang: Infrared Absorption Spectra of Jahn–Teller Systems: Applica-
tion to the Transition-Metal Trifluorides MnF3 and NiF3. J. Phys. Chem. A, 118 (21), 2014, 3726-3734.
Soini, Thomas M.; Krüger, Sven; Rösch, Notker: The DFT+Umol method and its application to the ad-
sorption of CO on platinum model clusters. J. Chem. Phys., 140 (17), 2014, 174709.
Goikoetxea, Itziar; Meyer, J.; Juaristi, Josebainaki I.; Alducin, Maite.; Reuter, Karsten: Role of Physisorp-
tion States in Molecular Scattering: A Semilocal Density-Functional Theory Study on O2/Ag(111). Phys.
Rev. Lett., 112 (15), 2014.
Meyer, Jörg; Reuter, Karsten: Modeling Heat Dissipation at the Nanoscale: An Embedding Approach for
Chemical Reaction Dynamics on Metal Surfaces. Angew. Chem. Int. Ed., 53 (18), 2014, 4721-4724.
Kubas, Adam; Hoffmann, Felix; Heck, Alexander; Oberhofer, Harald; Elstner, Marcus; Blumberger, Joch-
en: Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB
against high-level ab initio calculations. J. Chem. Phys., 140 (10), 2014, 104105.
Grossmann, Frank; Buchholz, Max; Pollak, Eli; Nest, Mathias: Spin effects and the Pauli principle in sem-
iclassical electron dynamics. Physical Review A, 89, 2014, 032104.
Strobusch, Daniel; Scheurer, Christoph: Adaptive sparse grid expansions of the vibrational Hamiltonian.
J. Chem. Phys., 140, 2014, 074111.
Gelin, Maxim F.; Bondarev, Igor V.; Meliksetyan, Areg V.: Optically promoted bipartite atomic entangle-
ment in hybrid metallic carbon nanotube systems. J. Chem. Phys., 140, 2014, 064301.
Tuna, Deniz; Sobolewski, Andrzej L.; Domcke, Wolfgang: Photochemical Mechanisms of Radiationless
Deactivation Processes in Urocanic Acid. J. Phys. Chem. B, 118, 2014, 976-985.
Abufager, Paula N.; Zampieri, Guillermo; Reuter, Karsten; Martiarena, M. Luz; Busnengo, H. Fabio: Long-
Range Periodicity of S/Au(111) Structures at Low and Intermediate Coverages. J. Phys. Chem. C, 118,
2014, 290-297.
Tuna, Deniz; Sobolewski, Andrzej L.; Domcke, Wolfgang: Mechanisms of Ultrafast Excited-State Deacti-
vation in Adenosine. J. Phys. Chem. A, 118, 2014, 122-127.
Mercurio, Giuseppe; Maurer, Reinhard J.; Hagen, Sebastian; Leyssner, Felix; Meyer, Jörg; Tegeder, Pet-
ra; Soubatch, Sergey; Reuter, Karsten; Tautz, F. Stefan: X-ray standing wave simulations based on Fou-
rier vector analysis as a method to retrieve complex molecular adsorption geometries. Frontiers in
Physics, 2014.
Huck, Johanna M.; Lin, Li-Chiang; Berger, Adam H.; Shahrak, Mahdi Niknam; Martin, Richard L.; Bhown,
Abhoyjit S.; Haranczyk, Maciej; Reuter, Karsten; Smit, Berend: Evaluating different classes of porous
materials for carbon capture. Energy Environ. Sci., 12, 2014, 4132-4146.
86
Professur für Computergestützte Biokatalyse
Prof. Dr. Ville I. R. Kaila
Kaila, Ville R. I.; Wikstrom, Marten; Hummer, Gerhard: Electrostatics, hydration, and proton transfer dy-
namics in the membrane domain of respiratory complex I. Proceedings of the National Academy of Sci-
ences, 111 (19), 2014, 6988-6993.
Kaila, Ville R. I.; Schotte, Friedrich; Cho, Hyun Sun; Hummer, Gerhard; Anfinrud, Philip A.: Contradictions
in X-ray structures of intermediates in the photocycle of photoactive yellow protein. Nature Chem., 6,
2014, 258-259.
Zhou, Xiuwen; Sundholm, Dage; Wesołowski, Tomasz A.; Kaila, Ville R. I.: Spectral Tuning of Rhodopsin
and Visual Cone Pigments. J. Am. Chem. Soc., 136, 2014, 2723-2726.
Professur für Physikalische Chemie mit Schwerpunkt Katalyse
Prof. Dr. Sebastian Günther
Günther, Sebastian; Menteş, Tevfik O.; Niño, Miguel A.; Locatelli, Alan; Böcklein, Sebastian; Wintterlin,
Joost: Desorption kinetics from a surface derived from direct imaging of the adsorbate layer. Nature
Communications, 5, 2014, 3853.
Zeller, Patrick; Günther, Sebastian: What are the possible moiré patterns of graphene on hexagonally
packed surfaces? Universal solution for hexagonal coincidence lattices, derived by a geometric con-
struction. New Journal of Physics, 16 (8), 2014, 083028.
Kraus, Jürgen; Reichelt, Robert; Günther, Sebastian; Gregoratti, Luca; Amati, Matteo; Kiskinova, Maya;
Yulaev, Alexander; Vlassiouk, Ivan; Kolmakov, Andrei: Photoelectron spectroscopy of wet and gaseous
samples through graphene membranes. Nanoscale, 6, 2014, 14394-14403.
87
Technische Chemie
Lehrstuhl für Technische Chemie I
Prof. Dr.-Ing. Kai-Olaf Hinrichsen
von Aretin, Tassilo; Hinrichsen, Olaf: Single-Event Kinetic Model for Cracking and Isomerization of 1-
Hexene on ZSM-5. Industrial & Engineering Chemistry Research, 54, 2014, 19460-19470.
Liu, Yefei; Hinrichsen, Olaf: Study on CFD–PBM turbulence closures based on k–ε and Reynolds stress
models for heterogeneous bubble column flows. Computers & Fluids, 105, 2014, 91-100.
Ablasser, Cornelia; Hilger, Andreas; Hinrichsen, Olaf: Kinetic Study of Heterogeneously Catalyzed Glu-
cose Oxidation in a Stirred Cell. Chemie Ingenieur Technik, 86 (11), 2014, 1948-1953.
Ablasser, Cornelia; Hinrichsen, Olaf: The influence of interfacial areas for gas absorption in presence of
solid particles. Chemical Engineering & Technology, 37 (9), 2014, 1468-1474.
Habla, Florian; Tan, Ming Wei; Haßlberger, Johannes; Hinrichsen, Olaf: Numerical simulation of the vis-
coelastic flow in a three-dimensional lid-driven cavity using the log-conformation reformulation in Open-
FOAM®. Journal of Non-Newtonian Fluid Mechanics, 212, 2014, 47-62.
Liu, Yefei; Hinrichsen, Olaf: CFD modeling of bubbling fluidized beds using OpenFOAM®: Model valida-
tion and comparison of TVD differencing schemes. Computers & Chemical Engineering, 69, 2014, 75-88.
Schlereth, David; Hinrichsen, Olaf: Comparison of a Pseudocontinuous, Heterogeneous 2D Conductive
Monolith Reactor Model to a 3D Computational Fluid Dynamics Model. Industrial & Engineering Chemis-
try Research, 53 (28), 2014, 11550-11556.
Liu, Yefei; Hinrichsen, Olaf: CFD Simulation of Hydrodynamics and Methanation Reactions in a Fluid-
ized-Bed Reactor for the Production of Synthetic Natural Gas. Industrial & Engineering Chemistry Re-
search, 53 (22), 2014, 9348-9356.
Fichtl, Matthias B.; Schumann, Julia; Kasatkin, Igor; Jacobsen, Nikolas; Behrens, Malte; Schlögl, Robert;
Muhler, Martin; Hinrichsen, Olaf: Counting of Oxygen Defects versus Metal Surface Sites in Methanol
Synthesis Catalysts by Different Probe Molecules. Angew. Chem. Int. Ed., 53 (27), 2014, 7043-7047.
Fichtl, Matthias B.; Hinrichsen, Olaf: On the temperature programmed desorption of hydrogen from pol-
ycrystalline copper. Catalysis Letters, 144, 2014, 2114-2120.
Schlereth, David; Hinrichsen, Olaf: A fixed-bed reactor modeling study on the methanation of CO2.
Chemical Engineering Research and Design, 92, 2014, 702-712.
Schmidtke, David; Heiser, U.; Hinrichsen, Olaf: A simulation-enhanced value stream mapping approach
for optimisation of complex production environments. International Journal of Production Research, 52
(20), 2014, 6146-6160.
88
Lehrstuhl für Technische Chemie II
Prof. Dr. Johannes A. Lercher, Prof. Dr. Andreas Jentys
Shi, Hui; Gutiérrez, Oliver Y.; Zheng, Anmin; Haller, Gary L.; Lercher, Johannes A.: Mechanistic Pathways
for Methylcyclohexane Hydrogenolysis over Supported Ir Catalysts. J. Phys. Chem. C, 118 (36), 2014,
20948-20958.
Gärtner, Christian A.; van Veen, André C.; Lercher, Johannes A.: Oxidative Dehydrogenation of Ethane
on Dynamically Rearranging Supported Chloride Catalysts. J. Am. Chem. Soc., 136 (36), 2014, 12691-
12701.
Gärtner, Christian A.; van Veen, Andre C.; Lercher, Johannes A.: Highly Selective Supported Alkali Chlo-
ride Catalysts for the Oxidative Dehydrogenation of Ethane. Topics in Catalysis, 57 (14-16), 2014, 1236-
1247.
Sun, Xianyong; Mueller, Sebastian; Liu, Yue; Shi, Hui; Haller, Gary L.; Sanchez-Sanchez, Maricruz; van
Veen, Andre C.; Lercher, Johannes A.: On reaction pathways in the conversion of methanol to hydrocar-
bons on HZSM-5. Journal of Catalysis, 317, 2014, 185-197.
Yoon, Yeohoon; Rousseau, Roger; Weber, Robert S.; Mei, Donghai; Lercher, Johannes A.: First-
Principles Study of Phenol Hydrogenation on Pt and Ni Catalysts in Aqueous Phase. J. Am. Chem. Soc.,
136 (29), 2014, 10287-10298.
Schallmoser, Stefan; Ikuno, T.; Wagenhofer, M.F.; Kolvenbach, Robin; Haller, Gary L.; Sanchez-
Sanchez, Maricruz; Lercher, Johannes A.: Impact of the local environment of Brønsted acid sites in
ZSM-5 on the catalytic activity in n-pentane cracking. Journal of Catalysis, 316, 2014, 93-102.
Vjunov, Aleksei; Fulton, John L.; Huthwelker, Thomas; Pin, Sonia; Mei, Donghai; Schenter, Gregory K.;
Govind, Niranjan; Camaioni, Donald M.; Hu, Jian Zhi; Lercher, Johannes A.: Quantitatively Probing the Al
Distribution in Zeolites. J. Am. Chem. Soc., 136 (23), 2014, 8296-8306.
Schüßler, Florian; Schallmoser, Stefan; Shi, Hui; Haller, Gary L.; Ember, Erika; Lercher, Johannes A.: En-
hancement of Dehydrogenation and Hydride Transfer by La 3+ Cations in Zeolites during Acid Catalyzed
Alkane Reactions. ACS Catalysis, 4 (6), 2014, 1743-1752.
Metwalli, E.; Krisch, I.; Markovits, I.; Rawolle, M.; Ruderer, M. A.; Guo, S.; Wyrzgol, S.; Jentys, A.; Per-
lich, J.; Lercher, J. A.; Müller-Buschbaum, P.: Polymer-Coated PtCo Nanoparticles Deposited on Diblock
Copolymer Templates: Chemical Selectivity versus Topographical Effects. ChemPhysChem, 15 (11),
2014, 2236-2239.
Gutiérrez, Oliver Y.; Singh, Srujan; Schachtl, Eva; Kim, Jeongnam; Kondratieva, Elena; Hein, Jennifer;
Lercher, Johannes A.: Effects of the Support on the Performance and Promotion of (Ni)MoS2 Catalysts
for Simultaneous Hydrodenitrogenation and Hydrodesulfurization. ACS Catalysis, 4 (5), 2014, 1487-1499.
Sun, Xianyong; Mueller, Sebastian; Shi, Hui; Haller, Gary L.; Sanchez-Sanchez, Maricruz; van Veen, An-
dre C.; Lercher, Johannes A.: On the impact of co-feeding aromatics and olefins for the methanol-to-
olefins reaction on HZSM-5. Journal of Catalysis, 314, 2014, 21-31.
89
Kolvenbach, Robin; Gonzalez Peña, L. Francisco; Jentys, Andreas; Lercher, Johannes A.: Diffusion of
Mixtures of Light Alkanes and Benzene in Nano-Sized H-ZSM5. J. Phys. Chem. C, 118 (16), 2014, 8424-
8434.
Derewinski, Miroslaw; Sarv, Priit; Sun, Xianyong; Müller, Sebastian; van Veen, Andre C.; Lercher, Johan-
nes A.: Reversibility of the Modification of HZSM-5 with Phosphate Anions. J. Phys. Chem. C, 118 (12),
2014, 6122-6131.
Roussière, Thomas; Schelkle, Korwin M.; Titlbach, Sven; Wasserschaff, Guido; Milanov, Andrian; Cox,
Gerhard; Schwab, Ekkehard; Deutschmann, Olaf; Schulz, Linus; Jentys, Andreas; Lercher, Johannes;
Schunk, Stephan A.: Structure-Activity Relationships of Nickel-Hexaaluminates in Reforming Reactions
Part I: Controlling Nickel Nanoparticle Growth and Phase Formation. ChemCatChem, 6 (5), 2014, 1438-
1446.
Roussière, Thomas; Schulz, Linus; Schelkle, Korwin M.; Wasserschaff, Guido; Milanov, Andrian;
Schwab, Ekkehard; Deutschmann, Olaf; Jentys, Andreas; Lercher, Johannes; Schunk, Stephan A.:
Structure-Activity Relationships of Nickel-Hexaaluminates in Reforming Reactions Part II: Activity and
Stability of Nanostructured Nickel-Hexaaluminate-Based Catalysts in the Dry Reforming of Methane.
ChemCatChem, 6 (5), 2014, 1447-1452.
Ahn, John H.; Kolvenbach, Robin; Neudeck, Carolina; Al-Khattaf, Sulaiman S.; Jentys, Andreas; Lercher,
Johannes A.: Tailoring mesoscopically structured H-ZSM5 zeolites for toluene methylation. Journal of
Catalysis, 311, 2014, 271-280.
He, Jiayue; Lu, Lu; Zhao, Chen; Mei, Donghai; Lercher, Johannes A.: Mechanisms of catalytic cleavage
of benzyl phenyl ether in aqueous and apolar phases. Journal of Catalysis, 311, 2014, 41-51.
Hein, Jennifer; Hrabar, Ana; Jentys, Andreas; Gutiérrez, Oliver Y.; Lercher, Johannes A.: γ-Al2O3 -
Supported and Unsupported (Ni)MoS2 for the Hydrodenitrogenation of Quinoline in the Presence of
Dibenzothiophene. ChemCatChem, 6 (2), 2014, 485-499.
Hahn, Maximilian W.; Steib, Matthias; Jentys, Andreas; Lercher, Johannes A.: Tailoring hierarchically
structured SiO2 spheres for high pressure CO2 adsorption. Journal of Materials Chemistry A, 33, 2014,
13624.
He, Jiayue; Zhao, Chen; Mei, Donghai; Lercher, Johannes A.: Mechanisms of selective cleavage of C-O
bonds in di-aryl ethers in aqueous phase. Journal of Catalysis, 309, 2014, 280-290.
He, Jiayue; Zhao, Chen; Lercher, Johannes A.: Impact of solvent for individual steps of phenol hydrode-
oxygenation with Pd/C and HZSM-5 as catalysts. Journal of Catalysis, 309, 2014, 362-375.
WACKER-Lehrstuhl für Makromolekulare Chemie
Prof. Dr. Dr. h.c. Bernhard Rieger
Altenbuchner, Peter T.; Soller, Benedikt S.; Kissling, Stefan; Bachmann, Thomas; Kronast, Alexander;
Vagin, Sergei I.; Rieger, Bernhard: Versatile 2-Methoxyethylaminobis(phenolate)yttrium Catalysts: Cata-
90
lytic Precision Polymerization of Polar Monomers via Rare Earth Metal-Mediated Group Transfer
Polymerization. Macromolecules, 47 (22), 2014, 7742-7749.
Xia, Wei; Vagin, Sergei I.; Rieger, Bernhard: Regarding Initial Ring Opening of Propylene Oxide in its Co-
polymerization with CO2 Catalyzed by a Cobalt(III) Porphyrin Complex. Chemistry - A European Journal,
20 (47), 2014, 15499-15504.
Lanzinger, Dominik; Giuman, Marco M.; Anselment, Timo M. J.; Rieger, Bernhard: Copolymerization of
Ethylene and 3,3,3-Trifluoropropene Using (Phosphine-sulfonate)Pd(Me)(DMSO) as Catalyst. ACS Macro
Letters, 3 (9), 2014, 931-934.
Kehrle, Julian; Höhlein, Ignaz M. D.; Yang, Zhenyu; Jochem, Aljosha-Rakim; Helbich, Tobias; Kraus, To-
bias; Veinot, Jonathan G. C.; Rieger, Bernhard: Thermoresponsive and Photoluminescent Hybrid Silicon
Nanoparticles by Surface-Initiated Group Transfer Polymerization of Diethyl Vinylphosphonate. Angew.
Chem., 126 (46), 2014, 12702-12705.
Soller, Benedikt S.; Zhang, Ning; Rieger, Bernhard: Catalytic Precision Polymerization: Rare Earth Metal-
Mediated Synthesis of Homopolymers, Block Copolymers, and Polymer Brushes. Macromolecular
Chemistry and Physics, 215 (20), 2014, 1946-1962.
Winnacker, Malte; Vagin, Sergei; Auer, Verena; Rieger, Bernhard: Synthesis of Novel Sustainable Oli-
goamides Via Ring-Opening Polymerization of Lactams Based on (−)-Menthone. Macromolecular Chem-
istry and Physics, 215 (17), 2014, 1654-1660.
Yang, Jiming; Liang, Yongjiu; Salzinger, Stephan; Zhang, Ning; Dong, Dewen; Rieger, Bernhard:
Poly(vinylphosphonate)s functionalized polymer microspheres via rare earth metal-mediated group
transfer polymerization. Journal of Polymer Science Part A: Polymer Chemistry, 52 (20), 2014, 2919-
2925.
Hupfeld, Julia; Gorr, Ingo H.; Schwald, Christian; Beaucamp, Nicola; Wiechmann, Kornelius; Kuentzer,
Karin; Huss, Ralf; Rieger, Bernhard; Neubauer, Markus; Wegmeyer, Heike: Modulation of mesenchymal
stromal cell characteristics by microcarrier culture in bioreactors. Biotechnology and Bioengineering, 111
(11), 2014, 2290-2302.
Höhlein, Ignaz M. D.; Kehrle, Julian; Helbich, Tobias; Yang, Zhenyu; Veinot, Jonathan G. C.; Rieger,
Bernhard: Diazonium Salts as Grafting Agents and Efficient Radical-Hydrosilylation Initiators for Free-
standing Photoluminescent Silicon Nanocrystals. Chemistry - A European Journal, 20 (15), 2014, 4212-
4216.
Rieger, Bernhard; Plikhta, Andriy; Castillo-Molina, Dante A.: Ionic Liquids in Transition Metal-Catalyzed
Hydroformylation Reactions. Topics in Organometallic Chemistry, 51, 2015, 95-144. First published
21.08.2014.
Altenbuchner, Peter T.; Kissling, Stefan; Rieger, Bernhard: Carbon Dioxide as C-1 Block for the Synthe-
sis of Polycarbonates. Transformation and Utilization of Carbon Dioxide. Green Chemistry and Sustaina-
ble Technology. 2014, 163-200.
91
Hammann, Markus; Castillo, Dante; Anger, Christian; Rieger, Bernhard: Highly selective CO 2 separation
membranes through tunable poly(4-vinylphenolate)–CO2 interactions. J. Mater. Chem., A 39, 2014,
16389-16396.
Reithmeier, Richard O.; Meister, Simon; Rieger, Bernhard; Siebel, Armin; Tschurl, Martin; Heiz, Ulrich;
Herdtweck, Eberhardt: Mono- and bimetallic Ir( iii ) based catalysts for the homogeneous photocatalytic
reduction of CO2 under visible light irradiation. New insights into catalyst deactivation. Dalton Trans., 43,
2014, 13259-13269.
Professur für Industrielle Biokatalyse
Prof. Dr. Thomas Brück
Reiße, Steven; Garbe, Daniel; Brück, Thomas: Meiothermus ruber thiolase – A new process stable en-
zyme for improved butanol synthesis. Biochimie, 103, 2014, 16-22.
Garbe, Daniel; Reiße, Steven; Brück, Thomas: Nachhaltige Bausteine für die Kunststoff-Herstellung.
Chemie in unserer Zeit, 48, 2014, 284-295.
Qoura, Farah; Elleuche, Skander; Brueck, Thomas; Antranikian, Garabed: Purification and characteriza-
tion of a cold-adapted pullulanase from a psychrophilic bacterial isolate. Extremophiles, 18, 2014, 1095-
1102.
Janke, Ronja; Görner, Christian; Hirte, Max; Brück, Thomas; Loll, Bernhard: The first structure of a bac-
terial diterpene cyclase: CotB2. Acta Cryst Sect D Biol Cryst, 70, 2014, 1528-1537.
Brück, Thomas; Kourist, Robert; Loll, Bernhard: Production of Macrocyclic Sesqui- and Diterpenes in
Heterologous Microbial Hosts: A Systems Approach to Harness Nature’s Molecular Diversity. Chem-
CatChem, 6 (5), 2014, 1142-1165.
Brück, Wolfram M.; Gibson, Glenn R.; Brück, Thomas B.: The effect of proteolysis on the induction of
cell death by monomeric alpha-lactalbumin. Biochimie, 97, 2014, 138-143.
92
Radiochemie und Pharmazeutische Chemie
Lehrstuhl für Pharmazeutische Radiochemie
Prof. Dr. Hans-Jürgen Wester
Eiber, Matthias; Nekolla, Stephan G.; Maurer, Tobias; Weirich, Gregor; Wester, Hans-Jürgen; Schwaiger,
Markus: 68Ga-PSMA PET/MR with multimodality image analysis for primary prostate cancer. Abdominal
Imaging, 2014.
Šimeček, Jakub; Zemek, Ondřej; Hermann, Petr; Notni, Johannes; Wester, Hans-Jürgen: Tailored Galli-
um(III) Chelator NOPO: Synthesis, Characterization, Bioconjugation, and Application in Preclinical Ga-
68-PET Imaging. Molecular Pharmaceutics, 11 (11), 2014, 3893-3903.
Schwarzenböck, Sarah Marie; Gertz, Jana; Souvatzoglou, Michael; Kurth, Jens; Sachs, David; Nawroth,
Roman; Treiber, Uwe; Schuster, Tibor; Senekowitsch-Schmidtke, Reingard; Schwaiger, Markus; Ziegler,
Sibylle Ilse; Henriksen, Gjermund; Wester, Hans-Jürgen; Krause, Bernd Joachim: Comparison of
[11C]Choline ([11C]CHO) and S(+)-β-Methyl-[11C]Choline ([11C]SMC) as Imaging Probes for Prostate
Cancer in a PC-3 Prostate Cancer Xenograft Model. Mol. Imaging Biol., 17, 2014, 248-256.
Maurer, Tobias; Beer, Ambros J; Wester, Hans-Jürgen; Kübler, Hubert; Schwaiger, Markus; Eiber, Mat-
thias: Positron emission tomography/magnetic resonance imaging with 68 Gallium-labeled ligand of
prostate-specific membrane antigen: Promising novel option in prostate cancer imaging? Int. J. Urol., 21
(12), 2014, 1286-1288.
Pyka, T.; Gempt, J.; Ringel, F.; Huttinger, S.; van Marwick, S.; Nekolla, S.; Wester, H.-J.; Schwaiger, M.;
Forster, S.: Prediction of Glioma Recurrence Using Dynamic 18F-Fluoroethyltyrosine PET. American
Journal of Neuroradiology, 35 (10), 2014, 1924-1929.
Šimeček, Jakub; Notni, Johannes; Kapp, Tobias G.; Kessler, Horst; Wester, Hans-Jürgen: Benefits of
NOPO As Chelator in Gallium-68 Peptides, Exemplified by Preclinical Characterization of 68 Ga-NOPO–
c(RGDfK). Molecular Pharmaceutics, 11, 2014, 1687-1695.
Neubauer, Stefanie; Rechenmacher, Florian; Brimioulle, Richard; Di Leva, Francesco Saverio; Bochen,
Alexander; Sobahi, Tariq R.; Schottelius, Margret; Novellino, Ettore; Mas-Moruno, Carlos; Marinelli, Luci-
ana; Kessler, Horst: Pharmacophoric Modifications Lead to Superpotent αvβ3 Integrin Ligands with
Suppressed α5β1 Activity. Journal of Medicinal Chemistry, 57, 2014, 3410-3417.
Notni, Johannes; Šimeček, Jakub; Wester, Hans-Jürgen: Phosphinic Acid Functionalized Polyazacyclo-
alkane Chelators for Radiodiagnostics and Radiotherapeutics: Unique Characteristics and Applications.
ChemMedChem, 9 (6), 2014, 1107-1115.
Trajkovic-Arsic, M.; Mohajerani, P.; Sarantopoulos, A.; Kalideris, E.; Steiger, K.; Esposito, I.; Ma, X.;
Themelis, G.; Burton, N.; Michalski, C. W.; Kleeff, J.; Stangl, S.; Beer, A. J.; Pohle, K.; Wester, H.-J.;
Schmid, R. M.; Braren, R.; Ntziachristos, V.; Siveke, J. T.: Multimodal Molecular Imaging of Integrin v 3
for In Vivo Detection of Pancreatic Cancer. Journal of Nuclear Medicine, 55, 2014, 446-451.
Brogsitter, Claudia; Zöphel, Klaus; Hartmann, Holger; Schottelius, Margret; Wester, Hans-Jürgen;
Kotzerke, Jörg: Twins in spirit part II: DOTATATE and high-affinity DOTATATE—the clinical experience.
European Journal of Nuclear Medicine and Molecular Imaging, 41, 2014, 1158-1165.
Beer, Ambros J.; Pelisek, Jaroslav; Heider, Peter; Saraste, Antti; Reeps, Christian; Metz, Stephan; Seidl,
Stefan; Kessler, Horst; Wester, Hans-Jürgen; Eckstein, Hans Henning; Schwaiger, Markus: PET/CT Im-
aging of Integrin αvβ3 Expression in Human Carotid Atherosclerosis. JACC: Cardiovascular Imaging, 7
(2), 2014, 178-187.
Hartmann, H.; Freudenberg, R.; Oehme, L.; Zöphel, K.; Schottelius, M; Wester, H.-J.; Wunderlich, G.;
Kotzerke, J.; Brogsitter, C.: Dosimetric measurements of 68Ga-High Affinity DOTATATE. Nuklearmedizin,
53, 2014, 211-216.
94
Lebensmittelchemie
Lehrstuhl für Lebensmittelchemie
Prof. Dr. Peter Schieberle
Ewert, Alice; Granvogl, Michael; Schieberle, Peter: Isotope-Labeling Studies on the Formation Pathway
of Acrolein during Heat Processing of Oils. Journal of Agricultural and Food Chemistry, 62 (33), 2014,
8524-8529.
Dunkel, Andreas; Steinhaus, Martin; Kotthoff, Matthias; Nowak, Bettina; Krautwurst, Dietmar; Schieberle,
Peter; Hofmann, Thomas: Genuine Geruchssignaturen der Natur - Perspektiven aus der Lebensmittel-
chemie für die Biotechnologie. Angewandte Chemie, 126 (28), 2014, 7250-7271.
Meitinger, Michael; Hartmann, Sandra; Schieberle, Peter: Development of Stable Isotope Dilution Assays
for the Quantitation of Amadori Compounds in Foods. Journal of Agricultural and Food Chemistry, 62
(22), 2014, 5020-5027.
Munafo, John P., Jr.; Didzbalis, John; Schnell, Raymond J.; Schieberle, Peter; Steinhaus, Martin: Char-
acterization of the Major Aroma-Active Compounds in Mango (Mangifera indica L.) Cultivars Haden,
White Alfonso, Praya Sowoy, Royal Special, and Malindi by Application of a Comparative Aroma Extract
Dilution Analysis. Journal of Agricultural and Food Chemistry, 62 (20), 2014, 4544-4551.
Granvogl, Michael: Development of Three Stable Isotope Dilution Assays for the Quantitation of (E)-2-
Butenal (Crotonaldehyde) in Heat-Processed Edible Fats and Oils as Well as in Food. Journal of Agricul-
tural and Food Chemistry, 62 (6), 2014, 1272-1282.
Lorber, Katja; Schieberle, Peter; Buettner, Andrea: Influence of the Chemical Structure on Odor Qualities
and Odor Thresholds in Homologous Series of Alka-1,5-dien-3-ones, Alk-1-en-3-ones, Alka-1,5-dien-3-
ols, and Alk-1-en-3-ols. Journal of Agricultural and Food Chemistry, 62 (5), 2014, 1025-1031.
Seiber, James N.; Molyneux, Russell J.; Schieberle, Peter: Targeted Metabolomics: a New Section in the
Journal of Agricultural and Food Chemistry. Journal of Agricultural and Food Chemistry, 62 (1), 2014, 22-
23.
95
Institut für Wasserchemie und Chemische Balneologie
Lehrstuhl für Analytische Chemie
Prof. Dr. Reinhard Nießner, Prof. Dr. Dietmar Knopp, PD Dr. Christoph Haisch, PD Dr. Thomas
Baumann, PD Dr. Michael Seidel
Scherer, Gerhard; Lee, Peter N.: Smoking behaviour and compensation: A review of the literature with
meta-analysis. Regulatory Toxicology and Pharmacology, 70, 2014, 615-628.
Kühn, Melanie; Ivleva, Natalia P.; Klitzke, Sondra; Niessner, Reinhard; Baumann, Thomas: Investigation
of coatings of natural organic matter on silver nanoparticles under environmentally relevant conditions
by surface-enhanced Raman scattering. Science of The Total Environment, 2014.
Tang, Dianping; Lin, Youxiu; Zhou, Qian; Lin, Yuping; Li, Peiwu; Niessner, Reinhard; Knopp, Dietmar:
Low-Cost and Highly Sensitive Immunosensing Platform for Aflatoxins Using One-Step Competitive Dis-
placement Reaction Mode and Portable Glucometer-Based Detection. Anal. Chem., 86 (22), 2014,
11451-11458.
Wang, Xu; Niessner, Reinhard; Knopp, Dietmar: Magnetic Bead-Based Colorimetric Immunoassay for
Aflatoxin B1 Using Gold Nanoparticles. Sensors, 14 (11), 2014, 21535-21548.
Schaumann, Gabriele E.; Philippe, Allan; Bundschuh, Mirco; Metreveli, George; Klitzke, Sondra; Rak-
cheev, Denis; Grün, Alexandra; Kumahor, Samuel K.; Kühn, Melanie; Baumann, Thomas; Lang, Frieder-
ike; Manz, Werner; Schulz, Ralf; Vogel, Hans-Jörg: Understanding the fate and biological effects of Ag-
and TiO2-nanoparticles in the environment: The quest for advanced analytics and interdisciplinary con-
cepts. Science of The Total Environment, 2014.
Niessner, Reinhard: The Many Faces of Soot: Characterization of Soot Nanoparticles Produced by En-
gines. Angew. Chem. Int. Ed., 53 (46), 2014, 12366-12379.
Seidel, Michael; Niessner, Reinhard: Chemiluminescence microarrays in analytical chemistry: a critical
review. Analytical and Bioanalytical Chemistry, 406 (23), 2014, 5589-5612.
Pschenitza, Michael; Gavrilova, Еlena S.; Tarasov, Sergey А.; Knopp, Dietmar; Niessner, Reinhard; Ep-
stein, Оleg I.: Application of a heterogeneous immunoassay for the quality control testing of release-
active forms of diclofenac. International Immunopharmacology, 21, 2014, 225-230.
Pschenitza, Michael; Hackenberg, Rudolf; Niessner, Reinhard; Knopp, Dietmar: Analysis of Ben-
zo[a]pyrene in Vegetable Oils Using Molecularly Imprinted Solid Phase Extraction (MISPE) Coupled with
Enzyme-Linked Immunosorbent Assay (ELISA). Sensors, 14, 2014, 9720-9737.
Sharma, Anil K.; Saini, Mohini; Singh, Shambhu D.; Prakash, Vibhu; Das, Asit; Bharathi Dasan, R.; Pan-
dey, Shailey; Bohara, Daulal; Galligan, Toby H.; Green, Rhys E.; Knopp, Dietmar; Cuthbert, Richard J.:
Diclofenac is toxic to the Steppe Eagle Aquila nipalensis: widening the diversity of raptors threatened by
NSAID misuse in South Asia. Bird Conservation International, 24 (03), 2014, 282-286.
Mircescu, Nicoleta E.; Zhou, Haibo; Leopold, Nicolae; Chiş, Vasile; Ivleva, Natalia P.; Niessner, Reinhard;
Wieser, Andreas; Haisch, Christoph: Towards a receptor-free immobilization and SERS detection of uri-
96
nary tract infections causative pathogens. Analytical and Bioanalytical Chemistry, 406 (13), 2014, 3051-
3058.
Bladt, Henrike; Ivleva, Natalia P.; Niessner, Reinhard: Internally mixed multicomponent soot: Impact of
different salts on soot structure and thermo-chemical properties. Journal of Aerosol Science, 70, 2014,
26-35.
Grob, Benedikt; Wolf, Jan-Christoph; Kiwull, B.; Niessner, Reinhard: Calibration system with an indirect
photoelectric charger for legislated vehicle number emission measurement counters in the single count-
ing mode. Journal of Aerosol Science, 70, 2014, 50-58.
Palma, Carlos-Andres; Diller, Katharina; Berger, Reinhard; Welle, Alexander; Björk, Jonas; Cabellos, Jo-
se Luis; Mowbray, Duncan J.; Papageorgiou, Anthoula C.; Ivleva, Natalia P.; Matich, Sonja; Margapoti,
Emanuela; Niessner, Reinhard; Menges, Bernhard; Reichert, Joachim; Feng, Xinliang; Räder, Hans Joa-
chim; Klappenberger, Florian; Rubio, Angel; Müllen, Klaus; Barth, Johannes V.: Photoinduced C–C Re-
actions on Insulators toward Photolithography of Graphene Nanoarchitectures. J. Am. Chem. Soc., 136
(12), 2014, 4651-4658.
Mueller, Daniel C.; Piller, Markus; Niessner, Reinhard; Scherer, Max; Scherer, Gerhard: Untargeted
Metabolomic Profiling in Saliva of Smokers and Nonsmokers by a Validated GC-TOF-MS Method. J.
Proteome Res., 13, 2014, 1602-1613.
Speranskaya, Elena S.; Beloglazova, Natalia V.; Lenain, Pieterjan; De Saeger, Sarah; Wang, Zhanhui;
Zhang, Suxia; Hens, Zeger; Knopp, Dietmar; Niessner, Reinhard; Potapkin, Dmitry V.; Goryacheva, Irina
Yu.: Polymer-coated fluorescent CdSe-based quantum dots for application in immunoassay. Biosensors
and Bioelectronics, 53, 2014, 225-231.
Lengger, Sandra; Otto, Johannes; Elsässer, Dennis; Schneider, Oliver; Tiehm, Andreas; Fleischer, Jens;
Niessner, Reinhard; Seidel, Michael: Oligonucleotide microarray chip for the quantification of MS2,
ΦX174, and adenoviruses on the multiplex analysis platform MCR 3. Analytical and Bioanalytical Chem-
istry, 406 (14), 2014, 3323-3334.
Zhou, Haibo; Yang, Danting; Ivleva, Natalia P.; Mircescu, Nicoleta E.; Niessner, Reinhard; Haisch, Chris-
toph: SERS Detection of Bacteria in Water by in Situ Coating with Ag Nanoparticles. Anal. Chem., 86,
2014, 1525-1533.
Eisold, Ursula; Kupstat, Annette; Klier, Dennis; Primus, Philipp-A.; Pschenitza, Michael; Niessner, Rein-
hard; Knopp, Dietmar; Kumke, Michael U.: Probing the physicochemical interactions of 3-hydroxy-
benzo[a]pyrene with different monoclonal and recombinant antibodies by use of fluorescence line-
narrowing spectroscopy. Analytical and Bioanalytical Chemistry, 406 (14), 2014, 3387-3394.
Szkola, A.; Linares, E. M.; Worbs, S.; Dorner, B. G.; Dietrich, R.; Märtlbauer, E.; Niessner, R.; Seidel, M.:
Rapid and simultaneous detection of ricin, staphylococcal enterotoxin B and saxitoxin by chemilumines-
cence-based microarray immunoassay. Analyst, 139 (22), 2014, 5885-5892.
97
Preise & Ehrungen
Promotionspreise
Jürgen Manchot Studienpreis
Martin Rübbelke, M.Sc.
Untersuchung der Domänenorientierung und
Dynamik in RNA-bindenden Multidomänen-
protein Tudor-SN/p100 mittels NMR Spektros-
kopie
Jan-Niklas Tants, M.Sc.
NMR-basierte Analyse der Interaktion von
Loquacious PD und doppelsträngiger RNA
Florian Zauner, M.Sc.
Biochemische Untersuchung des Substrat-
spektrums von AnkX und Lem3
Simon Rittmeyer, M.Sc.
Non-Adiabatic Vibrational Damping of O2 on Ag
(100): Implication for Light-Enhanced Catalysis?
Kai Sanwald, M.Sc.
In-situ Röntgenspektroskopische Untersu-
chungen von hochaktiven Nickel-Eisen Oxid
Katalysatoren für die elektrochemische Sauer-
stoffentwicklung
Lorenzo Catti, M.Sc.
C-Undecylcalix[4]resorcinaren-Hexamer-
katalysierte Cyclisierung natürlicher und unna-
türlicher Terpene
Alexander Dick, M.Sc.
Aufbau und Inbetriebnahme eines Versuchs-
standes zur Untrsuchung von Maldistributions-
effekten in Packungskolonnen
Nicolas Kohler, M.Sc.
Charakterisierung ausgewählter Elektrodensys-
teme für die elektrochemische Umsetzung von
CO2 zu chemischen Produkten
Sophie Sochenbach, M.Sc.
The role of soluble redox couples and
electrolyte anodic stability on the rechargeability
of Li2O2 electrodes for Li-Air batteries
Lebensmittelchemiker Mario Flaig
Quantifizierung von chiralen Schlüsselaroma-
stoffen in Alliaceaen
Lebensmittelchemikerin Barbara Singldinger
Stressreaktionen in Karotten
Lebensmittelchemikerin Theresa Zeilmann
Phytochemical composition and bioaccessibility
as indicative parameters to assess the dietary
“value” of new strawberry and sweet corn
breeding lines grown in Queensland, Australia
Jürgen Manchot Stiftung
Die enge Beziehung der Familie Manchot zur
Fakultät für Chemie reicht von Prof. Wilhelm
Manchot, einer herausragenden Persönlichkeit
der deutschen Chemie zu Beginn des 20.
Jahrhunderts über Dr. Jürgen Manchot bis hin
zu Thomas Manchot, der diese Fakultät über
seine Stiftung großzügig fördert.
Die Jürgen Manchot Stiftung macht es mit dem
Jürgen Manchot Studienpreis möglich, die bes-
ten akademischen Abschlüsse eines Jahres an
der Fakultüt für Chemie der Technischen
Universität München auszuzeichnen. Der Preis
wird für die wissenschaftliche Qualität und
Originalität der Abschlussarbeiten als auch für
die während des Studiums erbrachten Leistung-
en vergeben. The Manchot family has a long
and close relationship to the Department of
Chemistry of the Technische Universität
München (TUM), which starts at the beginning
of the 20th century with Prof. Wilhelm Manchot,
an outstanding personality of German chemists.
Today, his grandson Thomas Manchot promotes
our Department generously through the Jürgen
Manchot Foundation, named after his father.
The “Jürgen Manchot Studienpreis” honors the
best Master’s theses of the year in our
Department. The prize will be awarded for the
98
scientific quality and originality of the thesis as
well as for the achievements during the whole
study.
EVONIK Forschungspreis
Richard Brimioulle, M.Sc.
EVONIK Industries
Der EVONIK Forschungspreis, gespendet von
EVONIK Industries, wird jährlich an einen
Nachwuchswissenschaftler aus der Fakultät für
Chemie für herausragende Forschungs-
leistungen am Tag der Fakultät für Chemie der
Technischen Universität München verliehen.
The EVONIK Research Prize for Outstanding
Research Contributions, donated by EVONIK
Industries, will be annually awarded to a young
scientist in in our department. The ceremony will
take place on the Graduation Day of the
Department of Chemistry.
Emil Erlenmeyer-Medaille
Dr. Michael Zelinger
Synthesis, Characterization and Reactivity of
Lithium-Containing Silicides, Germanides and
Borosilicides
Dr. Malte Gersch
Structure, Function and Inhibition of ClpP
Proteases
Dr. Sebastian Walter
Synthese, Modifikation und Anwendung multi-
dentaler Halogenbrückendonoren als
Sktivatoren in organischen Reaktionen
TUM Graduate School
Dieser Promotionspreis wird jährlich von der
TUM Graduate School an die drei besten
Chemiepromovenden mit der höchsten Publika-
tionstätigkeit verliehen. The TUM Graduate
School annually awards three Emil Erlenmeyer-
Medals to the best Ph.D. students with the
highest rate of publications.
Promotionspreis des Bund der
Freunde der Technischen Universität
München e.V.
Dr. Robin Kolvenbach
Transport in nano-sized, mesoscopically
structured ZSM-5 zeolites
Dr. Florian Rechenmacher
Funktionalisierung von α5β1-selektiven
Integrinantagonisten für medizinische und bio-
physikalische Studien
Bund der Freunde der Technischen
Universität München e.V.
Der Bund der Freunde unterstützt die Tech-
nische Universität München in Wissenschaft,
Forschung und Lehre und hat sich ins-
besondere die Förderung des akademischen
Nachwuchses zum Ziel gesetzt. The "Bund der
Freunde" supports the TUM in science, research
and teaching. Its support is especially focused
on the career of our young academics.
Preis der VAA Stiftung
Dr. Martin Lorenz Stein
Detection, Identification and Characterization of
the Natural 20S Proteasome Inhibitors from
Photorhabdus Luminescens
VAA Stiftung – Gesellschaft zur Förderung
von Wissenschaft, Forschung und Bildung
GmbH
Die VAA Stiftung fördert Wissenschaft, For-
schung und Bildung in naturwissenschaftlich-
technischen Bereichen. Jedes Jahr zeichnet die
VAA Stiftung junge Nachwuchswissenschaftler
für hervorragende Dissertationen im Bereich der
chemisch-pharmazeutischen Wissenschaften
und der Verfahrenstechnik mit jeweils 3.000
Euro aus. Im besonderen Fokus des Stiftungs-
preises stehen Arbeiten mit einem industriellen
Anwendungsbezug. The VAA Foundation
promotes science, research and education in
fields of science and technology. The VAA
Foundation honors each year outstanding
doctoral theses of young scientists in the field of
chemical and pharmaceutical sciences and
99
process engineering. A particular focus lies on
doctoral theses with references to an industrial
application.
Auszeichnungen, Preise & Ehrungen
Wilhelm Manchot-
Forschungsprofessur
Prof. Dr. Christian Hertweck
Biological Synthesis of Complex Molecules
Jürgen Manchot Stiftung
Die Jürgen Manchot Stiftung verleiht jährlich die
Wilhelm Manchot-Forschungsprofessur. Diese
Stiftungsprofessur wird an herausragende
Wissenschaftler verliehen und soll den Preis-
trägern neben der Würdigung ihres wissen-
schaftlichen Gesamtwerkes auch eine Lehrtätig-
keit an der Fakultät für Chemie der Technische
Universität München ermöglichen. The Jürgen
Manchot Foundation awards annually the
Wilhelm Manchot Research Professorship. This
professorship is awarded to outstanding
scientists to honor their overall scientific work. In
addition, it allows the award winner to teach at
the Department of Chemistry of the Technische
Universität München (TUM).
Hans-Fischer-Preis
Dr. Malte Gersch
Funktion und Modulation von Clp-Proteasen
Hans-Fischer-Gesellschaft e.V.
Die Hans-Fischer-Gesellschaft e.V. hat das Ziel
der Förderung von Wissenschaft und Forschung
auf dem Gebiet der Chemie und Biochemie im
Sinne des Chemikers und Nobelpreisträgers
Prof. Hans Fischer. Neben der laufenden
Forschungsförderung würdigt der Verein durch
die jährliche Verleihung des Hans-Fischer-
Preises besondere wissenschaftliche Leis-
tungen der verschiedenen Bereiche der Fakultät
für Chemie der Technischen Universität Mün-
chen.The Hans Fischer Society promotes sci-
ence and research in the field of chemistry and
biochemistry within the meaning of the chemist
and Nobel Prize winner Prof. Hans Fischer.
Furthermore, the society honors outstanding
scientific achievements in the different chemical
fields of the Department of Chemistry of the
Technische Universität München (TUM) by
annual awarding of the Hans Fischer Prize .
Honda-Fujishima Lectureship Award
Prof. Dr. Thorsten Bach
Chirality and Light: Enantioselective Catalysis of
[2+2] Photocycloaddition Reactions
Japanese Photochemistry Association
Die Honda-Fujishima Lectureship wird seit 2006
jährlich von der Japanese Photochemistry
Association (JPA) verliehen. Die Ehrung ist nach
Akira Fujishima und Kenichi Honda, den Pionie-
ren der photokatalytischen Wasserspaltung,
benannt und wird Wissenschaftlern zuteil, die
einen herausragenden Beitrag zur Nutzung der
Photochemie erbracht haben. Since 2006, the
Honda-Fujishima Lectureship is awarded annu-
ally by the Japanese Photochemistry Associa-
tion (JPA). It is named after Akira Fujishima and
Kenichi Honda, the pioneers of photocatalytic
water splitting. The Lectureship honors re-
searchers who have adduced an outstanding
contribution to the use of photochemistry.
Aufnahme in das Junge Kolleg der
Bayerischen Akademie der Wissen-
schaften
Prof. Dr. Konrad Tiefenbacher
Enzymähnliche Katalyse - Was können orga-
nische Chemiker von der Natur lernen?
Bayerische Akademie der Wissenschaften
Voraussetzung für die Aufnahme in das Kolleg
sind eine herausragende Promotion sowie eine
kreative und zukunftsweisende Forschungsidee.
Vorschlagsberechtigt sind die Leitungen der
Universitäten in Bayern, die Dekane oder De-
kanninnen dieser Universitäten sowie die
Leitungen der Max-Planck-Institute und anderer
wissenschaftlicher Einrichtungen in Bayern. Das
100
Junge Kolleg ist mit einem Forschungsstipendi-
um dotiert und zunächst auf drei Jahren ange-
legt. Prerequisite for admission to the "Kolleg"
are an outstanding doctorate and a creative and
pioneering research idea. Nominations could be
submitted by the Management Boards of the
universities in Bavaria, the deansof Bavarian
universities as well as the Boards od Directorsof
the Max Planck Institutes and other scientific
institutions in Bavaria. The Young College is
endowed with a research grant and initially run
for three years.
Josef-Schornmüller-Stipendium
Dr. Michael Granvogl
Verleihung der Josef-Schornmüller-Medaille
LChG – Lebensmittelchemische Gesellschaft
Professor Josef Schormüller hatte einen großen
Teil seines Vermögens in eine Stiftung einge-
bracht, die jüngere, beruflich bereits erfolgrei-
che Lebensmittelchemikerinnen und Lebens-
mittelchemiker insbesondere durch For-
schungsaufenthalte im Ausland in ihrer wissen-
schaftlichen Entwicklung weiter fördern soll.
Professor Josef Schormüller donated a large
part of his fortune to a foundation, which
supports young food chemists and successful
professional food chemists in particular by
research stays abroad.
Preise und Ehrungen unserer Alumni
und Ehrenmitglieder2
Karl Max von Bauernfeind-Medaille
Ltd. Akad. Direktor Dr. Karl Öfele
Ehemaliger leitender Akademischer Direktor des
Lehrstuhls für Anorganische Chemie
2 Die hier aufgeführten Preise und Ehrungen unserer Alumni und Ehrenmitgliedern basieren auf deren Meldungen an un-sere Fakultät und erheben somit nicht den Anspruch auf Vollständigkeit.
Technische Universität München
Mitarbeiterinnen und Mitarbeiter der TUM, die
sich durch ein herausragendes Engagement um
die Hochschule verdient gemacht haben,
werden mit der Karl Max von Bauernfeind-
Medaille ausgezeichnet. Sie ist benannt nach
dem ersten Rektor der heutigen TU München.
The Karl Max von Bauernfeind Medal is awarded
to employees of the TUM who showed out-
standing commitment to the university. It is
named after the first rector of the Technische
Universität München (TUM).
Bayerische Maximiliansorden für
Wissenschaft und Kunst
Prof. Dr. Dr. h.c. mult. Gerhard Ertl
Nobelpreis für Chemie 2007
TUM Distinguished Affiliated Professor und
TUM-Alumnus der Chemie
Heute: Fritz-Haber-Institut der Max-Planck-
Gesellschaft, Berlin
Freistaat Bayern
Der Maximiliansorden wurde das erste Mal am
28. November 1853 von König Maximillian II.
von Bayern verliehen. Er ist die höchste Würdi-
gung des Freistaats Bayern für außergewöhn-
liche Leistungen in Wissenschaft und Kunst.
The Bavarian Maximilian Order for Science and
Art was first established on 28 November 1853
by King Maximilian II. of Bavaria. It is awarded to
acknowledge and reward excellent and out-
standing achievements in the field of science
and art.
Blaise Pascal Medal for Science and
Technology
Prof. Dr. Dr. h.c. Hubert Schmidbauer
Emeritus der Fakultät für Chemie, Ordinarius
des Lehrstuhls für Anorganische und Analyti-
sche Chemie
101
European Academy of Sciences
Die Europäische Akademie der Wissenschaften
stiftet seit 2003 die Blaise Pascal Medaille, um
herausragende Beiträge in Wissenschaft und
Technologie zu honorieren als auch Spitzenleis-
tung in Forschung und Lehre zu fördern. Jähr-
lich können durch die Akademie bis zu sechs
Medaillen an herausragende Wissenschaftler
verliehen werden. The European Academy of
Sciences established the Blaise Pascal Medal in
2003 to recognise an outstanding contribution
to science and technology and the promotion of
excellence in research and education. Up to six
medals may be awarded in any one year.
Promotionen
Amylia Binte Abdul Ghani
Prof. Dr. Fritz E. Kühn
17. Februar 2014
Cornelia Ablasser
Prof. Dr.-Ing. Kai-Olaf Hinrichsen
23. Oktober 2014
Firouzeh Aladini
Prof. Dr. Christian Becker
17. März 2014
Marcelino Arciniega Castro
Prof. Dr. Dr. h.c. mult. Robert Huber
31. Juli 2014
So Hee Baek
Prof. Dr. Dr. h.c. mult. Robert Huber
18. Februar 2014
Stefan Matthias Baueregger
Prof. Dr. Johann Plank
17. November 2014
Philipp Beck
Prof. Dr. Michael Groll
24. Oktober 2014
Julia Behnke
Prof. Dr. Johannes Buchner
30. September 2014
Alexander Beribisky
Prof. Dr. Michael Sattler
30. Juli 2014
Rebecca Bernhard geb. Zeh
Prof. Dr. Hubert A. Gasteiger
08. September 2014
Henrike Bladt
Prof. Dr. Reinhard Nießner
19. Februar 2014
Viktor Bretzler
Prof. Dr. Dr. h.c. Bernhard Rieger
28. Oktober2014
Richard Brimioulle
Prof. Dr. Thorsten Bach
02. Dezember 2014
Markus Brunnbauer
apl. Prof. Dr. Peter Köhler
07. Januar 2014
Anna Maria Dach
Prof. Dr. Peter Schieberle
19. Dezember 2014
Simon Donhauser
Prof. Dr. Reinhard Nießner
08. April 2014
Julia Eckl
PD Dr. Klaus Richter
30. Juli 2014
Nadine Eckstein
Prof. Dr. Tom Nilges
21. August 2014
Jürgen Eirich
Prof. Dr. Stephan A. Sieber
16. Januar 2014
Matthias Fichtl
Prof. Dr.-Ing. Kai-Olaf Hinrichsen
12. Dezember 2014
Ariane Garon
Prof. Dr. Steffen Glaser
16. April 2014
Christian Achim Gärtner
Prof. Dr. Johannes A. Lercher
16. September 2014
103
Malte Giller
Prof. Dr. Tom Nilges
08. August 2014
Franziska Maria Graf
Prof. Dr. Dr. h.c. Bernhard Rieger
15. April 2014
Lilian Graser
Prof. Dr. Fritz E. Kühn
25. Juni 2014
Magnus Greiwe
Prof. Dr. Tom Nilges
23. Juni 2014
Nidhi Grover
Prof. Dr. Fritz E. Kühn
15. Januar 2014
Stefanie Grubmüller
apl. Prof. Dr. Wolfgang Eisenreich
14. Februar 2014
Reentje-Gerhard Harms
Prof. Dr. Dr. h.c. mult. Wolfgang A. Herrmann
20. Oktober 2014
Georg Hartmann
Prof. Dr. Michael Schuster
06. März 2014
Haiyan He
Prof. Dr. Thomas F. Fässler
16. September 2014
Jiayue He
Prof. Dr. Johannes A. Lercher
23. Juni 2014
Philipp Heister
Prof. Dr. Ulrich Heiz
23. Juli 2014
Max Hoffmann
Prof. Dr. Karsten Reuter
24. Juli 2014
Stefan Huber
Prof. Dr. Fritz E. Kühn
17. April 2014
Dominik Jantke
Prof. Dr. Dr. h.c. mult. Wolfgang A. Herrmann
10. März 2014
Nihat Knispel
apl. Prof. Dr. Wolfgang Eisenreich
05. Dezember 2014
Roman Kolb
Prof. Dr. Stephan A. Sieber
16. Juli 2014
Robin Kolvenbach
Prof. Dr. Johannes A. Lercher
30. Juli 2014
Valentina Alexandra Korinth
Prof. Dr. Fritz E. Kühn
20. Oktober 2014
Matthias Kotthoff
PD Dr. Dietmar Krautwurst
29. September 2014
Andrea Christiana Kunfermann
Prof. Dr. Michael Groll
27. Februar 2014
Martin Herbert Kunzmann
Prof. Dr. Stephan A. Sieber
23. Januar 2014
Kathrin Lange
apl. Prof. Dr. Ulrich Boesl-von Grafenstein
26. September 2014
Elena Lesca
Prof. Dr. Dr. h.c. mult. Robert Huber
16. Dezember 2014
Su Li
Prof. Dr. Fritz E. Kühn
25. November 2014
104
Jia Xiao Li
Prof. Dr. Peter Schieberle
29. Juli 2014
Yefei Liu
Prof. Dr.-Ing. Kai-Olaf Hinrichsen
07. Oktober 2014
Oliver Lorenz
Prof. Dr. Johannes Buchner
24. April 2014
Ioan Julius Emilian Markovits
Prof. Dr. Dr. h.c. mult. Wolfgang A. Herrmann
16. April 2014
Sebastian Markus Marx
Prof. Dr. Andreas Türler
29. September 2014
Reinhard Johann Maurer
Prof. Dr. Karsten Reuter
27. Januar 2014
Jenni Meiners
Prof. Dr. Sven Schneider
15. Dezember 2014
Simon Meyer
Prof. Dr. Klaus Köhler
29. Juli 2014
Daniel Müller
Prof. Dr. Reinhard Nießner
24. Juli 2014
Dominik Nitsch
Prof. Dr. Thorsten Bach
27. Oktober 2014
Cardine Nokwe Nkumbe
Prof. Dr. Johannes Buchner
27. November 2014
Corey O'Meara
Prof. Dr. Steffen Glaser
24. Juli 2014
Christine Opperer
Prof. Dr. Peter Schieberle
07. Juli 2014
Ganesh Pathare
Prof. Dr. Wolfgang Baumeister
30. Oktober 2014
Marco Giuseppe Perna
Prof. Dr. Johannes Buchner
26. September 2014
Abdussalam Qaroush
Prof. Dr. Dr. h.c. Bernhard Rieger
11. August 2014
Felix Quitterer
Prof. Dr. Michael Groll
03. Juni 2014
Andreas Raba
Prof. Dr. Dr. h.c. mult. Wolfgang A. Herrmann
08. September 2014
Daniela Nadine Rascher
Prof. Dr. Reinhard Nießner
23. Dezember 2014
Alexandra Rehn
Prof. Dr. Johannes Buchner
14. Juli 2014
Stefan Reindl
Prof. Dr. Dr. h.c. mult. Wolfgang A. Herrmann
27. Januar 2014
Georg Rudolf
Prof. Dr. Stephan A. Sieber
29. Januar 2014
Oyewole Taye Salami
Prof. Dr. Johann Plank
21. Februar 2014
Stefan Schallmoser geb. Meier
Prof. Dr. Johannes A. Lercher
17. Dezember 2014
105
Ingo Schnapperelle
Prof. Dr. Thorsten Bach
04. April 2014
Jakub Simecek
Prof. Dr. Hans-Jürgen Wester
29. Januar 2014
Susanne Stingl
Prof. Dr. Peter Schieberle
27. Oktober 2014
Daniel Strohbusch
Prof. Dr. Mathias Nest
10. April 2014
Agathe Szkola
Prof. Dr. Reinhard Nießner
28. Februar 2014
Jasmine Thorkildsen
Prof. Dr. Peter Schieberle
28. Mai 2014
Katharina Titze
apl. Prof. Dr. Ulrich Boesl-von Grafenstein
29. Juli 2014
Deniz Tuna
Prof. Dr. Dr. h.c. Wolfgang Domcke
28. April 2014
Thomas Wagner
Prof. Dr. Dr. h.c. mult. Wolfgang A. Herrmann
08. September 2014
Maximilian Wamser
Prof. Dr. Thorsten Bach
27. Januar 2014
Roland Weixler
Prof. Dr. Thorsten Bach
28. Januar 2014
Bianca Willner
Prof. Dr. Peter Schieberle
08. Juli 2014
Andreas Wirth
Prof. Dr. Klaus Köhler
30. Juli 2014
Patrick Woidy
Prof. Dr. Florian Kraus
07. November 2014
Yin Wu
Prof. Dr. Dr. h.c. Notker Rösch
15. Mai 2014
Katharina Wussow
Prof. Dr. Klaus Köhler
19. November 2014
Klaus Wutz
Prof. Dr. Reinhard Nießner
24. Februar 2014
Philip Caspar Zehetmaier
Prof. Dr. Dr. h.c. Bernhard Rieger
03. Februar 2014
Zaiyong Zhang
Prof. Dr. Michael Sattler
06. Oktober 2014
Jian Zheng
Prof. Dr. Klaus Köhler
18. Dezember 2014
Haibo Zhou
Prof. Dr. Reinhard Nießner
27. November 2014
Ursula Zinth
Prof. Dr. Thomas Kiefhaber
24. Januar 2014
Nan Zou
Prof. Dr. Johann Plank
12. Augsut 2014
106
Abschlüsse - Zahlen & Fakten*
93 Promotionen
63,4 %
36,6%
184 Masterabsolventen inkl. Staatsexamen und Diplom
52,7%
47,3%
Masterabsolventen inkl. Staatsexamen und Diplom nach Studiengängen
männlichweiblich
* bezogen auf das Kalenderjahr 2014 (01.01.2014 – 31.12.2014)
107
223 Bachelorabsolventen
67,3%
32,7%
Bachelorabsolventen nach Studiengängen
männlich weiblich
