Cyclotron-resonance line-width due to electron-LO-phonon interaction in cylindrical quantum wires

The absorption power due to the electron-LO-phonon interaction in a cylindrical quantum wire (CQW) in the presence of a magnetic field is calculated. The dependence of absorption power on the photon energy is computationally calculated and graphically plotted for a specific CQW. From graphs of the absorption power, we determine cyclotron-resonance line-width (CRLW) as profiles of the curves. The numerical results show that the CRLW increases with increasing of the temperature and magnetic field, and CRLW decreases with increasing of the wire’s radius. The present results are in qualitative agreement with the existing theoretical and experimental results.     

Light-initiated hydroxylation of lauric acid using hybrid P450 BM3 enzymes

We have developed hybrid P450 BM3 enzymes consisting of a Ru(II)-diimine photosensitizer covalently attached to non-native single cysteine residues of P450 BM3 heme domain mutants. These enzymes are capable, upon light activation, of selectively hydroxylating lauric acid with 40 times higher total turnover numbers compared to the peroxide shunt.     

Simulating non‐prenex cuts in quantified propositional calculus

We show that the quantified propositional proof systems G_i are polynomially equivalent to their restricted versions that require all cut formulas to be prenex Σ^q_i (or prenex Π^q_i). Previously this was known only for the treelike systems G*_i. © 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim     

Applicability domains for classification problems: Benchmarking of distance to models for Ames mutagenicity set

The estimation of accuracy and applicability of QSAR and QSPR models for biological and physicochemical properties represents a critical problem. The developed parameter of "distance to model" (DM) is defined as a metric of similarity between the training and test set compounds that have been subjected to QSAR/QSPR modeling. In our previous work, we demonstrated the utility and optimal performance of DM metrics that have been based on the standard deviation within an ensemble of QSAR models. The current study applies such analysis to 30 QSAR models for the Ames mutagenicity data set that were previously reported within the 2009 QSAR challenge. We demonstrate that the DMs based on an ensemble (consensus) model provide systematically better performance than other DMs. The presented approach identifies 30-60% of compounds having an accuracy of prediction similar to the interlaboratory accuracy of the Ames test, which is estimated to be 90%. Thus, the in silico predictions can be used to halve the cost of experimental measurements by providing a similar prediction accuracy. The developed model has been made publicly available at http://ochem.eu/models/1 .     

Quantitative testing of robustness on superomniphobic surfaces by drop impact

The quality of a liquid-repellent surface is quantified by both the apparent contact angle θ(0) that a sessile drop adopts on it and the value of the liquid pressure threshold the surface can withstand without being impaled by the liquid, hence maintaining a low-friction condition. We designed surfaces covered with nanowires obtained by the vapor-liquid-solid (VLS) growth technique that are able to repel most of the existing nonpolar liquids including those with very low surface tension as well as many polar liquids with moderate to high surface tension. These superomniphobic surfaces exhibit apparent contact angles ranging from 125 to 160° depending on the liquid. We tested the robustness of the surfaces against impalement by carrying out drop impact experiments. Our results show how this robustness depends on Young's contact angle θ(0) related to the surface tension of the liquid and that the orientational growth of nanowires is a favorable factor for robustness.     

Variation of the first Hilbert coefficients of parameters with a common integral closure

A problem posed by Vasconcelos [33] on the variation of the first Hilbert coefficients of parameter ideals with a common integral closure in a local ring is studied. Affirmative answers are given and counterexamples are explored as well.     

On a nonlinear wave equation with boundary conditions of two-point type

The paper is devoted to the study a nonlinear wave equation with boundary conditions of two-point type. Existence of a weak solution is proved by using Faedo-Galerkin method. Uniqueness, regularity and decay properties of solutions are also discussed.     

On uniqueness theorems for holomorphic curves sharing hypersurfaces without counting multiplicity

We prove some uniqueness theorems for algebraically nondegenerate holomorphic curves sharing hypersurfaces without counting multiplicity.     

Characterization of cadmium ion transport across model and real biomembranes and indication of induced damage of plant tissues

Monatshefte für Chemie - Chemical Monthly - The present study is focused on characterization and elucidation of transport processes of the environmentally important element cadmium across...