Browsing Fakultät für Chemie (inkl. GAUSS) by Title
Now showing items 1-20 of 726
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3d-Metall-Käfig-Komplexe als Modelle für aktive Zentren von nicht-Häm Proteinen
(2024-10-22)This thesis presents a broad study on a new ligand system, specially designed for the mimicry of the quasi-chelating coordination by amino acid side chain residues in enzymatic pockets. The ligand system is based on an ... -
A Dinuclear Dihydride Complex for Bimetallic Reductive Activation and Transformation of a Range of Inert Substrates
(2018-03-19)In this thesis, a dinickel(II) dihydride complex was used for small molecules activation, such as H2, O2, N2, S8, CO and so on. Here, we present the results of these works and analysis these results by various spectroscopies. -
A Force Spectroscopy Setup to Mimic Cellular Interaction Processes
(2013-06-21)The main objective of this thesis was to establish a biophysical model system that permits to quantify forces involved in cell-cell contacts and cell-substrate-adhesion in a native-like fashion. For this purpose, colloidal ... -
A Fragment-Based Construction of a Neural Network Potential for Metal-Organic Frameworks
(2023-02-24)In recent years, many types of machine learning potentials (MLPs) have been developed, which are used to represent the high-dimensional potential-energy surface (PES) of a chemical system with similar accuracy as electronic ... -
A. Asymmetrische Organokatalyse mit kleinen Peptiden und neuen bifunktionellen organischen Verbindungen. B. Ansätze zur asymmetrischen Produktkatalyse und zur Synthese der Naturstoffhybride
(2007-07-24)The structure/activity relationship for some (S)-histidine-based dipeptide catalysts in direct aldol reactions have been examined. The reactivities and stereoselectivities are shown to be ... -
Ab initio molecular dynamics simulations of molecular scattering from metal(111) surfaces
(2021-08-26)In this thesis, I report on ab initio molecular dynamics (AIMD) simulations of scattering experiments of CO and NO from Au(111) and Ag(111) surfaces and provide minimum energy pathway (MEP) calculations of the dissociation ... -
Activation and transformation of small molecules at a bimetallic β-diketiminato nickel platform
(2022-03-25)This dissertation focuses on the activation and transformation of small molecules by a dinuclear nickel platform. A series of nickel-complexes based on a binucleating bis(tridentate) ligand that consists of two ß-diketiminato ... -
Activation of Nitric Oxide and Dioxygen at Diferrous Complexes with Compartmental Pyrazolate Ligand Scaffolds
(2017-04-06)This work comprises the synthesis and characterization of novel pyrazolate-bridged bimetallic iron complexes with bis(pentadentate) ligand scaffolds and the activation of dioxygen and nitric oxide at their diferrous sites. ... -
Active Matter in Confined Geometries - Biophysics of Artificial Minimal Cortices
(2020-12-18)Essential physiological processes, such as cell motility, adhesion, growth and differentiation are determined by the ability of cells to modify their mechanical properties. Consequently, both the vitality as well as ... -
Adaptierte wissenschaftliche Literatur
(2024-01-19)Science communication is changing, driven by the huge potential of the Internet. The importance of traditional media, and thus the influence of gatekeepers such as science journalists, continues to decline in favor of ... -
Adaptive Aggregation and Chirality Recognition of Neuroactive Substances and their Building Blocks: A Vibrational Spectroscopic and Microscopic Study
(2012-07-24)A sublimation cell for the Fourier transform infrared (FTIR) microspectroscopic characterization of microcrystals was constructed and tested on methyl mandelate and mandelic acid. Spectral assignments and the determination ... -
Advanced Functionalization of Polyethylene via Catalyzed Chain Growth: Tailored Surfaces and Cationic End-Groups
(2019-03-26)Well-defined, end-functional polyethylene (PE) was synthesized in a catalyzed chain growth (CCG) polymerization and applied in novel synthetic routes for PE modified surfaces as well as in the manufacturing of multifunctional ... -
Advanced NMR Methodology for the Investigation of Organometallic Compounds in Solution
(2013-11-06)The scope of this thesis was to investigate organometallic compounds by advanced solution state NMR methods in order to build a bridge from known solid state structures to their behaviour in solution. Since these reagents ... -
Advanced NMR Techniques for the Investigation of Small Molecules in Solution
(2017-06-28)Nuclear magnetic resonance (NMR) techniques have been developed and employed to study small molecules in solution. A) Slice-selective excitation (SSE) enables the acquisition of spatially resolved spectra. This has been ... -
Advances in chain-growth control and analysis of polymer: boosting iodine-mediated polymerizations and mastering band-broadening effects in size-exclusion chromatography
(2015-10-23)In the present thesis, various novel iodine-mediated reversible-deactivation radical polymerization (RDRP) techniques were investigated. In addition, effects of instrumental band broadening (BB) in size-exclusion chromatography ... -
Aerobic Ruthenium-Catalyzed C–H Activations
(2018-08-31)Within the last decades C–H activation processes have evolved from a promising concept to a powerful class of reactions for the construction of organic molecules, especially pharmaceutically active compounds. Within this ... -
Aggregatenbildung der Rußteilchen in Kohlenwasserstoff / Luftflammen in einem Druckbereich von ein bis fünf Bar
(2004-05-12)The objective of this work was the examination of soot particles in sooting premixed laminar hydrocarbon/air flames at pressures from 1 to 5 bar regarding a possible formation of soot aggregates. Different fuels have been ... -
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 ... -
Aggregations- und Evaporationsdynamik von Clustern und Aerosolpartikeln im H<sub>2</sub>SO<sub>4</sub>-H<sub>2</sub>O-System
(2022-11-28)Sulfuric acid and water are two key compounds in the formation of atmospheric aerosols and are therefore relevant in the context of climate research. In this work, a modified experimental setup is presented, using the ... -
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 ...