An electrochemical P450 model compound consisting of meso-tetraphenylporphyrinatochromium(3+) chloride (CrTPP), imidazole, and acetic acid was used in acetonitrile containing alkenes. The corresponding epoxides were obtained in better yields compared to a similar electrochemical P450 model compound using meso-tetraphenylporphyrinatomanganese(3+) chloride. The results of cyclic voltammetry and c...

Complementary to enantioselective transformations of planar functionalities, catalytic desymmetrization of meso compounds is another fundamentally important strategy for asymmetric synthesis. However, experimentally established stereochemical models on how a chiral catalyst discriminates between two enantiotopic functional groups in the desymmetrization of a meso substrate are particularly lack...

The transport of scalar quantities passively advected by velocity fields with a smallscale component can be modeled at meso-scale level by means of an effective drift and an effective diffusivity, which can be determined by means of multiple-scale techniques. We show that the presence of a weak large-scale flow induces interesting effects on the meso-scale scalar transport. In particular, it gi...

Treating infections organized in biofilms is a challenge due to the resistance of the pathogens against antibiotics and host immune cells. Many fungi grow in a wet environment, favorable for the growth of bacterial biofilms, and we speculated that fungi possess some strategies to control these bacterial biofilms. A fungus identified as Hypoxylon fragiforme, was collected in the Harz Mountains, ...

Condensation of 16-silatripyrrane with pentafluorobenzaldehyde under catalytic conditions followed by DDQ oxidation leads to 31,34-disilahexaphyrinoid--a four times reduced derivative of 31,34-disilahexaphyrin which contains two built-in silole units flanked by four tetrahedrally hybridized meso carbons. In the preferred folded macrocyclic conformation the silole rings remain perpendicular to e...

The transient dimerization of transmembrane proteins is an important event in several cellular processes and computational methods are being increasingly used to quantify their underlying energetics. Here, we probe the thermodynamics and kinetics of a simple transmembrane dimer to understand membrane protein association. A multi-step framework has been developed in which the dimerization profil...

Commonly used boundary-based solid and surface modeling methods in traditional computer aided design are not capable of constructing configurations with large numbers of particles or complex topology. In this paper, we propose a new geometric modeling scheme, periodic surface, for material design at atomic, molecular, and meso scales. At molecular scale, periodicity of the model allows thousand...

Urban areas can represent a considerable part of the model domain in meso-scale numerical simulations with typical horizontal domain lengths of 20–200 km. This paper addresses the question of the extent of the influence of urban surfaces on the development of convective precipitation in meso-g-scale numerical models. For this purpose, a spatially variable parameterization scheme for surface sen...

Classical plasticity models, being scale independent, cannot capture any size depedent behavior. A remedy is to adopt a gradient plasticity model at the sub-granular (meso) scale to account for the different micro-processes leading to the various size effects. In this contribution, we adopt, at the meso scale, the isotropic gradient plasticity model in [1] which incorporated the plasticity rota...

cumulus convection, as a meso-scale phenomenon, results in the release of latent heat and vertical drift of energy that by part could affect the large scale field of energy, humidity, and momentum of the atmosphere. since the current numerical models are unable to resolve the singular cumulus convective clouds that are important from a meteorological point of view, it is used to apply some sort...