280 Pages

Structure and dynamics using NMR spectroscopy [Elektronische Ressource] / Jochen Jan Klages

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Published 01 January 2008
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Language English
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Department Chemie
Lehrstuhl II
fur Organische Chemie
Structure and Dynamics
using NMR Spectroscopy
Jochen Jan Klages
Vollst andiger Abdruck der von der Fakult at fur Chemie der Technischen
Universit at Munc hen zur Erlangung des akademischen Grades eines
Doktors der Naturwissenschaften
genehmigten Dissertation.
Vorsitzender: Univ.-Prof. Dr. St. J. Glaser
Prufer der Dissertation: 1. Univ.-Prof. Dr. H. Kessler
2. Univ.-Prof. Dr. W. Domcke
3. Priv.-Doz. Dr. B. W. Luy
Die Dissertation wurde am 17.06.2008 bei der Technischen Universit at
Munc hen eingereicht und durch die Fakult at fur Chemie am 29.09.2008
angenommen.To my parents.Die Grenzen meiner
Sprache bedeuten die
Grenzen meiner Welt.
(Ludwig Wittgenstein)Acknowledgement
The work presented in this thesis was prepared from October 2003 until
Feburary 2008 in the group of Prof. Dr. Horst Kessler at the Department
of Chemistry of the Technical University of Munich, Germany.
I would like to thank my supervisor Prof. Dr. Kessler for giving me the
opportunity to join his group, for the excellent research facilities, for un-
restricted support, and for giving me lots of personal freedom.
Of course there are a lot of other people I would like to thank:
The sta members of the NCE: Dr. Murray Coles, Dr. Sandra Gros-
curth, Dr. Vincent Tru ault, Dr. Michael John, Dr. Markus Heller,
Dr. Melina Haupt, and Dr. Ilka Varnay for the great atmosphere and
ambitious science.
Dr. Gustav Gemmecker, Dr. Murray Coles, Dr. Burkhard Luy, and
Dr. Sandra Groscurth for critical reading of my thesis and providing
constructive suggestions, especially where to place a comma.
Dr. Burkhard Luy for not only the nice collaborations but also for
teaching me lot on NMR and other interresting things.
My students Cajethan Neubauer, Denis Jurkin, Wilhelm Palm, Clau-
dia Wurzenberger, and Michael Braun.
The system administrators Dr. Rainer Haessner and Alexander Fren-
zel for their support.
Dr. Rainer Haessner for his support in NMR spectrometer hardware
concerns and ghting all the other world threatening issues.
Dr. Alexander Kotzsch and Prof. Dr. Thomas Muller for the nice and
interresting cooperation at the BMPR-IA project.iv
The secretaries Beate Diaw, Marianne Machule, and Evelyn Bruck-
maier for their professional work.
My hockey team from ‘HC Wacker Munc hen’ for reminding me that
there is a life beside chemistry.
Franz Hagn for some nice trips to the ENC.
My at mates Alexandra Gonaus, Ricarda Brandes, and Marc Sche-
loske for sharing the ‘WG’ with me and supporting me with lots of
M&M’s during writing.
Dr. Gerd Hauser for picking me up each lunch break though I was
always late, for interessing discussions on the ‘Wahlrecht’, the newest
popcorn movies, and for always ‘cleaning up’ the trays at the Mensa.
Dr. Bj orn Heitmann for giving me the opportunity to spend my life
in Switzerland, voting me the ‘MDM’, and being a very good ‘lala’.
Dr. Hans Rainer Porth for introducing me to chemistry and support-
ing me during my rst years as scientist.
The ‘Kicker’ crew for helping me to digest the sometimes stodgy
Mensa food.
All other group members for a wonderful time inside and outside the
Martina Dressel for endless patience throughout the admittedly quite
long time of the preparation of this thesis, her love which relieved this
process and for so many other things that would take ages to note
down and would prolong the process of writing even further and are
therefore left to a quiet moment.
I am deeply grateful to my family, especially to my parents, for their endless
support over the years. All this would not have been possible without them.
Thank you.Parts of this thesis have been published:
J. Klages, C. Neubauer, M. Coles, H. Kessler, B. Luy, ‘Structure Re-
nement of Cyclosporin A in Chloroform by Using RDCs Measured in
a Stretched PDMS-gel’, ChemBioChem 6, 2005, 1672{1678.
J. Klages, S. Glaser, H. Kessler, B. Luy, ‘J-ONLY-TOCSY: E cient Sup-
pression of RDC-Induced Transfer in Homonuclear TOCSY Experiments
Using JESTER-1-Derived Multiple Pulse Sequences’, J. Magn. Reson. 189,
2007, 217{227.
J. Klages, A. Kotzsch, M. Coles, J. Nickel, T. Muller, H. Kessler, ‘The
Solution Structure of BMPR-IA Reveals a Local Disorder-to-Order Tran-
sition upon BMP-2 Binding’, Biochemistry 47, 2008, 11930{11939.
Published review articles:
J. Klages, M. Coles, H. Kessler, ‘NMR-based screening: a powerful tool in
fragment-based drug discovery’, Mol. BioSyst. 2, 2006, 318{332.
J. Klages and H. Kessler, ‘NMR in Drug Discovery’, in Comprehensive
Medicinal Chemistry II, Eds. D. J. Triggle and J. B. Taylor, Elsevier:
Oxford 2006.