Browsing Fakultät für Chemie (inkl. GAUSS) by Title
Now showing items 151-170 of 756
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Development of a Biomembrane Sensor Based on Reflectometry
(2013-09-13)Membrane proteins play central roles in many significant cellular processes such as signal transduction, cell adhesion and immune recognition reactions. As a result, they gained substantial pharmacological significance, ... -
Development of a Bone Adhesive Material based on Diazirinyl-Collagen Mimetic Peptides
(2025-02-05)The treatment of small and inaccessible bone fractures with metallic implants is challenging. One potential solution to this issue is the use of an adhesive to adhere the affected fragments. In the search for new biocompatible ... -
Development of a Generally Applicable Machine Learning Potential with Accurate Long-Range Electrostatic Interactions
(2022-08-16)Machine learning potentials (MLPs) have become an indispensable tool for large-scale atomistic simulations, due to their accuracy comparable with ab-initio methods at considerably reduced computational cost. The development ... -
Development of an efficient charge equilibration method for nonlocal neural network potentials with applications in redox chemistry
(2025-01-06)This thesis focuses on the development and application of new methodologies for machine learning potentials in atomistic simulations. The primary contribution of this work is the design and implementation of an optimized ... -
Development of Bone Adhesive Materials based on Collagen-mimetic Peptides and Carbene-mediated Diazirine Crosslinkers
(2024-08-22)Traditional mechanical fixation methods such as screws, support plates, staples, and sutures remain predominant in treating bone trauma. However, these methods can cause localized tissue damage, leading to infection and ... -
Development of Hybrid QM/QM Local Correlation Methods for the Study of Metal Sites in Biomolecular Catalysis
(2015-06-08)Metal-containing systems present a challenge for both theoretical and experimental chemists. Joint efforts are required to fully understand their complex electronic structure and their role in catalysis. On the side of ... -
Development of Photo-Induced C–H Activation by Copper and Ruthenium Catalysis
(2019-11-08)Within recent decades, transition metal-catalyzed C–H activation has become a valuable and versatile tool for organic synthesis. As C–H bonds are ubiquitous in organic molecules, the direct site-selective functionalization ... -
Development of Viable Synthetic Approaches to Highly Functionalized Small Ring Systems - Synthesis of Novel Cyclopropylacrylates as Monomers for Low-Shrinkage Polymer-Composites
(2005-07-13)Twenty-eight new alkyl 2-cyclopropylacrylates with various substitution patterns were synthesized from readily available precursors applying appropriately modified variants of standard transformations or newly developed ... -
Development of Zinc-Finger-Based Artificial Restriction Endonucleases and Fluorescent Peptidyl Metal Sensors
(2016-11-17)Zinc finger proteins are ubiquitous in the cellular environment having an excessive diversity and performing variable tasks. Their outstanding capability to develop a sequence-specific bond to deoxyribonucleic acid (DNA) ... -
Diagonal and Off-Diagonal Anharmonicity in Hydrogen-Bonded Systems
(2016-05-11)The stretching wavenumber of a functional group exhibits a characteristic shift towards lower energies when serving as a hydrogen bond donor. This well-known effect constitutes an important tool for the study of such ... -
Dicationic Chelating Phosphines – Synthesis, Structure And Reactivity Towards Dienes
(2022-06-17)A new family of bidentate dicationic phosphine ligands incorporating an additional electron donating group was designed and synthesized. Obtained ligands were characterized using spectroscopical methods and single crystal ... -
Dinickel Complexes of the "Two-In-One" Pincer scaffold
(2019-11-11)Bringing two metal ions in close proximity offers interesting perspectives for cooperative activation and catalytic transformation of substrates. Ditopic pyrazolate-based bridging ligands are known to represent valuable ... -
Dinuclear Copper and Nickel Complexes of New Multidentate N-heterocyclic Carbene Ligands: Structures, Dynamics and Reactivity
(2019-12-18)The present Ph.D. thesis is divided in two parts and describes N-heterocyclic carbene complexes of copper and nickel, their structures, dynamics in solution and reaction patterns. Part I deals thematically with copper(I) ... -
Diols under Investigation: Benchmarking their Monomers, Dimers and Chirality Recognition
(2022-12-14)A large variety of different 1-2,-diols are investigated with regards to their monomers, dimers and chirality recognition. Jet-Raman and microwave spectroscopy are used to spectrally characterise the systems. The results ... -
Directing macromolecular assemblies by tailored surface functionalizations of nanoporous alumina
(2011-05-19)Anodic aluminum oxide (AAO) is a nanoporous material with parallel, hexagonally-ordered, cylindrical pores running straight through the material s thickness. A method to deposit highly ... -
Diversity-Oriented Assembly of C-Glycosides via Late-Stage C−H Glycosylation
(2023-08-29)C-glycosides are widely distributed structural motifs found in natural products and commercially available drug molecules. Due to the stability of glycosidic C-C bonds against chemical and enzymatic hydrolysis, only ... -
Domino Reactions for the Syntheses of Chiral Chromanes ‒ Enantioselective Total Syntheses of (‒)-Diversonol, (‒)-Blennolide C, (‒)-Gonytolide C and Formal Synthesis of Siccanin
(2015-06-15)The general objective of this thesis is to demonstrate the synthetic utility of the domino concept in the complex setting of natural product synthesis. Key step is a palladium-catalyzed domino Wacker/carbonylation/methoxylation ... -
Domino-Reaktionen mit anti-Carbopalladierungen an Alkinen als Schlüsselschritt und Transformationen von Arylthiocyanaten mit Arinen
(2015-09-09)The work presents a formal anti-carbopalladation reaction of alkynes imbedded into a domino reaction for the synthesis of oligo cyclic structures. Therefore, intra- as well as intermolecular approaches were performed. ... -
DOSY External Calibration Curve Molecular Weight Determination as a Valuable Methodology in Characterizing Reactive Intermediates in Solution
(2016-04-01)A new DOSY-ECC-MW-determination methodology is introduced. This method determines molecular weights of unknown solutes in THF-d8 and TOL-d8 solution with exceptional accurately and reliability with a maximum deviation of ... -
Dynamics of Hydrogen Atoms Scattering from Surfaces
(2017-01-06)Hydrogen atoms interactions with single crystal surfaces are the simplest processes in surface science, which are of both practical and fundamental interest. Chemical reactions of hydrogen atoms with single crystal surfaces ...