Redefining solubility parameters: Bulk and surface properties from unified molecular descriptors
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Network models have been used to study the underlying processes and principles of biological systems for decades, providing many insights into the complexity of life. Biological systems require a constant flow of free energy to drive these processes that o ...
When aliquid drop approaches a flat solid surface, the airbeneath it is compressed,flattening the bottom of the drop andforcing initial contact to occur in aring-shape, trapping a pocketof air in its center as two wetting frontsrapidly expand botho ...
A first-principles model of the electrochemical double layer is applied to study surface energies and surface coverage under realistic electrochemical conditions and to determine the equilibrium shape of metal nanoparticles as a function of applied potenti ...
When adsorbing guest molecules, the porous metal-organic framework MIL-53(Cr) may vary its cell parameters drastically while retaining its crystallinity. A first approach to the thermodynamic analysis of this "framework breathing" consists of comparing the ...
Precise information about kinetic properties of enzymes within a biochemical network is a necessary ingredient of any successful metabolic engineering design. Such information inevitably involves uncertainty due to changes in cellular and process parameter ...
Microorganisms provide a wealth of bio-degradative potential in the reduction and elimination of xenobiotic compounds in the environment. One useful metric to evaluate potential biodegradation pathways is thermodynamic feasibility. However, experimental da ...
Protein folding stands as one of the major interdisciplinary challenges of the last ten years, involving biology, chemistry, medicine and physics. In this PhD thesis, we investigate the solvent effects and the resulting hydrophobic effect on proteins. In p ...
Engineering of large-scale metabolic pathways to maximize production of a certain substance or to minimize creation of undesired chemicals require explicit information about the underlying enzyme kinetics. Unfortunately, such information is frequently not ...
We present the results of a combined experimental and numerical investigation of the coalescence of a drop with a liquid reservoir of a miscible but distinct fluid. Particular attention is given to elucidating the influence on the coalescence process of a ...
In recent years, superhydrophobic surfaces have attracted a considerable amount of attention from the academic and industrial communities. This growing interest is mainly caused by the fundamental physico-chemical theoretical aspects that remain obscure an ...