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Using density-functional calculations, we investigate the possibility of ammonia synthesis at supported Fe nanoclusters along catalytic routes closely resembling those in biological nitrogen fixation. To achieve similar catalytic conditions as at the activ ...
Nanopores are under development for the detection of a variety of analytes and the investigation of chemical reactions at the single molecule level. In particular, the analysis of nucleic acid molecules is under intense investigation, including the develop ...
This paper reports the reversible aggregation of porphyrin molecules in a thin solid film. A commercially available molecule, p-meso-tetra(4-pyridyl)porphyrin (H2TPyP(4)), was used for these studies. Optical absorption spectroscopy of the solution and soli ...
Nuclear Magnetic Resonance (NMR) spectroscopy offers many ways to investigate dynamic properties of molecules. A wide variety of experimental techniques can probe molecular dynamics on time scales that range from 10-12 to 103 seconds. Many lines of evidenc ...
Artificial neural networks represent a simple but efficient way to model and correct known errors existing between commonly used density functional computations and experimental data. The recently proposed X1 approach combines B3LYP energies with a neural- ...
Fluorescence correlation spectroscopy allows investigating the interaction of charged proteins with charged surfaces of liquid-filled nanochan- nels. Based on a 2-D multi-component diffusion model the bulk and surface diffusion behavior is quantified. ...
This work deals with the creation of a stochastic translation algorithm capable of encompassing the reactions for translation initiation, elongation and termination in a unified framework based on Gillespie's algorithm. By looking at reactions from the poi ...
During wound healing and in a variety of fibrocontractive diseases, fibroblasts differentiate into contractile myofibroblasts by acquiring stress fibers and by expressing α-smooth muscle actin (α-SMA). Myofibroblasts of wound granulation tissue, in contras ...
We have previously shown that the switch from N-cadherin to OB-cadherin expression increases intercellular adhesion between fibroblasts during their transition from a migratory to a fibrogenic phenotype. Using atomic force microscopy we here show that part ...
This thesis deals with the supramolecular organization of chiral aminoacids and dipeptides on metal surfaces. The emergence of homochirality in biomolecular systems is one of the most intriguing open questions of Nature. The self-assembly and amplification ...