To calculation non-bonded interaction of the [CoCl6]3- complex embedded in nano ring, we focus on the single wall boron-nitride B18N18 nano ring. Thus, the geometry of B18N18 nano ring has been optimized by B3LYP method with EPR-II (Electron paramagnetic resonance) basis set and geometry of the [CoCl6]3- complex has been optimized at B3LYP method with Aldrich’s VTZ basis set and Stuttgart RSC 1...

Extended producer responsibility (EPR) embodies the notion that producers should be made physically or financially responsible for the environmental impacts their products have at the end of product life. The EPR concept has taken hold in Europe and is garnering wide interest in the United States, where a variant known as “shared product responsibility” or “product stewardship” is usually the p...

This special issue is aimed at providing the readers of this journal with an indication of the exciting and important areas in which in vivo electron paramagnetic resonance (EPR) [or equivalently electron spin resonance (ESR)] is making contributions to experimental progress and to provide perspectives on future developments, including the potential for in vivo EPR to be an important new clinic...

Introduction The distribution of enantiomers can be visualized with electron paramagnetic resonance (EPR) imaging if they are labeled with stable spin-probes such as nitroxyl radicals. To make in vivo imaging of chiral drugs possible, we first need to perform synthesis and toxicological studies for spin-labeled chiral drugs, as well as develop a simultaneous imaging method to visualize two enan...

CONTEXT The extensive research literature on electronic patient records (EPRs) presents challenges to systematic reviewers because it covers multiple research traditions with different underlying philosophical assumptions and methodological approaches. METHODS Using the meta-narrative method and searching beyond the Medline-indexed literature, this review used "conflicting" findings to addres...

Keywords: Self-learning Finite element Evolutionary computation Material modelling EPR a b s t r a c t In this paper an EPR-based self-learning method is presented for modelling the constitutive behaviour of materials using evolutionary polynomial regression (EPR). The proposed approach takes advantage of the rich stress–strain data buried in non-homogenous structural tests. The load–deformatio...

For the study of defects in III-V semiconductors an enhancement of sensitivity with respect to the conventional detection of electron paramagnetic and electron-nuclear double resonance (EPR/ENDOR) is necessary, because of low defect concentrations together with broad EPR lines and very small sample volumes as in the case of epitaxial layers. This can be achieved by optical detection of EPR and ...

Recently, in vivo electron paramagnetic resonance (EPR) spectroscopy and imaging have been widely used to investigate free radical distribution and metabolism in tissues, organs, and whole body of small animals. Endogenous nitric oxide (NO) is an attractive target of this method. In the present study, NO production from a nitrovasodilator, isosorbide dinitrate (ISDN), in live mice was investiga...