Browsing Fakultät für Chemie (inkl. GAUSS) by Advisor & Referee "Sheldrick, George M. Prof. Dr."
Now showing items 1-20 of 41
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Algorithms for Crystal Structure Determination in Macromolecular Crystallography
(2019-11-25)X-ray crystallography has been the leading technique for structure determination since the discovery of the diffraction of X-rays by crystals by Max von Laue. In this thesis the crystal structure of human ceroid lipofuscinosis ... -
The Role of Hydrogen Atoms and Thermal Displacement Parameters in Crystal Structure Refinement
(2017-04-03)This thesis investigates methods to analyze and predict the behavior of hydrogen atoms in crystal structures based on the limited data available from routine X-ray diffraction experiments. This is achieved by extracting ... -
New Applications of the Invariom Database
(2017-03-29)Three new applications of the Invariom database have been developed and discussed. All applications are in the field of chemical crystallography or molecular modeling. As prerequisite, the invariom database itself ... -
Crystal Structures of a Bacterial Isocitrate Dehydrogenase and the Human Sulfamidase
(2015-01-09)In an X-ray crystallographic experiment, intensities and directions of X-rays scattered by electrons in a crystal are measured. However, the relative phase information in the interference pattern is lost. If we knew the ... -
Aggregation Study on Lithiated Five-membered Heterocycles – Towards the Pentuple Ion
(2014-01-30)The main work of this thesis focuses on the elucidation of the aggregation of 2-thienyllithium, methyl-substituted 2-thienyllithium and 2-furyllithium in the solid state and in solution. The addition of an adequate donor ... -
Charge Density Distribution in Low-Valent Tetrels
(2013-05-22)The scope of this work was the analysis of the electron density of low valent tetreles. For silicon and carbon-containing compounds. Especially low valent silicon compounds are of great interest because their synthesis has ... -
Untersuchung der Elektronendichte von Antibiotika in Bezug auf pharmakologische Wirksamkeit
(2012-01-18)The macrolide antibiotic roxithromycin and twelve solvates of nine different fluoroquinolone antibiotics are investigated by single-crystal X-ray diffraction. Aspherical scattering factors ... -
Molybdenum and tungsten compounds with dithiolene ligands inspired by molybdopterin as models for the molybdenum and tungsten cofactors
(2011-11-22)This thesis deals with the bio-inorganic chemistry of molybdenum and tungsten. Various synthetic methodologies have been developed to prepare the model complexes of molybdenum and tungsten ... -
Practical approaches to macromolecular X-ray structure determination
(2011-11-21)The X-ray structure determination of macromolecules is unsurpassed in precision and detail. However, such structures cannot be derived directly from X-ray diffraction data. Phases and a ... -
Optimising His-tags for purification and phasing
(2011-07-26)Rekombinant expremierte Proteine können mit einer zusätzliche Aminosäuresequenz am C- und/oder N-Terminus, dem Protein-Tag, hergestellt werden. Bei einer bestimmten Gruppe dieser Tags erlaubt ... -
Sticky triangles: New tools for experimental phasing of biological macromolecules
(2010-12-07)X-ray crystallography is the prime method for the elucidation of three-dimensional molecular structures. It enables the structure determination of biological macromolecules such as proteins ... -
Janus Kopf Liganden in heterobimetallischen Komplexen
(2010-11-26)This thesis includes studies on the Janus-head ligand di(benzothiazole-2-yl)phosphane. An improved synthesis and modifications of the ligand are reported. Additionally different mono- and ... -
Fluoreszenzchemosensoren auf Basis des Anthracen-Fluorophors
(2010-07-22)Anthracene has an extended π-electron system. Beside the strong fluorescence it also yields high fluorescence efficiency. These facts promote anthracene to a very interesting research target ... -
Ligand Design of Sulfur-Centered Chelates
(2010-04-21)Owing to their electrophilic sulfur atom nearly any nucleophile can be added to the sulfurimides, yielding a variety of diimidosulfinates and triimidosulfonates. This trait opens up a lot ... -
Residual density validation and the structure of Labyrinthopeptin A2
(2009-04-21)The present work is divided into two main parts. The first part deals with the analysis and validation of the residual density. For the quantification and analysis the concept of the fractal ... -
Pressure and temperature dependence of recombination reactions of benzyl-type radicals
(2009-02-18)The combination reactions p-F-C6H4CH2 + p-F-C6H4CH2 (+M) → C14H12F2 +M), p-CH3-C6H4CH2 + p-CH3-C6H4CH2 (+M) → C16H18 (+M) and C6H5CH2 + C6H5CH2 (+M) → C14H14 (+M) have been investigated ... -
Transition of intrinsically unfolded α-synuclein into the fibrillar state characterized by NMR spectroscopy
(2008-12-10)Proteins fold into appropriate configuration, called native structure, in order to achieve its cellular function. A protein with nonnative structure induces malfunction and causes the ... -
Crystallographic studies on DNA in complex with antibiotics and effects of anisotropic scaling on structure solution
(2008-12-01)This work investigates the structure of complexes between DNA and antibiotics discussing the crystal structures of d(AACCGGTT)-trioxacarcin, d(CGTACG)-trioxacarcin and d(ACGTACGT)-echinomycin. ... -
Bioinspired oxidation reactions of phenols with dinuclear copper complexes
(2008-03-07)This thesis is focused on the understanding of the cooperative effects in di- and oligonuclear transition metal complexes and their further application as catalysts for the oxidation of phenol substrates. In nature, two ... -
Kristallographische Analyse von pathologischen Kristallen, Periplasmischen dömane von ligandfreien CitA Sensor Kinasen und PDI-verwandten Chaperone
(2006-11-08)The current work reports on developing methods to elucidate crystal structure of nonmerohedrally twinned protein crystals and analysis of structures of different proteins that mediate signal ...