E-Dissertationen: Search
Now showing items 1-8 of 8
Reaktivität und zelluläre Aufnahme albuminbindender Platinkomplexe und neuer Oxaliplatin-Analoga
(2007)
Der Einsatz der Platinkomplexe in der Chemotherapie wird durch ihre Toxizität und primäre oder sekundäre Resistenz limitiert. Im Fokus dieser Arbeit stehen zwei Ansätze, mit denen die Wirkung der Platinkomplexe optimiert ...
The electronic and geometric structure of [NiFe] hydrogenases studied by theoretical spectroscopy
(2013-05-07)
[NiFe] hydrogenases catalyze the reversible oxidative cleavage of molecular hydrogen at high rates. In the present study, DFT was employed to investigate the geometric and electronic structure of various redox-states of ...
Physicochemical Analysis of Bacterial and Firefly Bioluminescence
(2013-10-17)
The light emitting reaction of bioluminescence is one of the most visible processes in nature. The present work provides new significant information about the bioluminescent reaction in bacteria. A radical intermediate ...
Selected Aspects of Enzymatic Catalytic Activity Studied by Theoretical Methods and Implementation of the Analytic Second Derivatives of Hartree-Fock and Hybrid Density Functional Energies
(2014-03-14)
This thesis deals with application of modern theoretical methods for studying enzymatic reactivity as well as with the efficient implementation of second analytical energy derivatives on the self-consistent field (SCF) ......
Spin Labeling of and EPR Spectroscopic Studies on functional Oligonucleotides
(2021-05-10)
Within the last three decades, the central dogma of molecular biology has been extended
in the sense that RNA is not only the molecule from which the genetic information is
translated into proteins but is involved in ...
Localization of Paramagnetic Metal Ions in Biomolecules ny means of Electron Paramagnetic Resonance
(2017-03-23)
Localization of metal ion binding sites in biomolecules is an important objective in structural biology. Experimental methods that are commonly used to determine the location of metal ions, such as X-ray crystallography ...
EPR distance measurements using triaryl methyl radicals and EPR investigation of electron transfer processes in organic radicals
(2018-04-17)
EPR is a valuable tool for the investigation of biological structures. Most EPR-based distance measurements rely on the site directed spin labeling of the investigated biomolecule, since most biomolecular structures do not ...
Response properties of open shell molecules and their application in studies of electron paramagnetic resonance parameters
(2023-11-20)
The synergy of experimental and theoretical investigations is highly powerful and is therefore utilized to gain a deeper understanding of (bio)chemical processes. Especially, molecular spectroscopy provides detailed ...