We employ various quantum-mechanical approaches for studying the impact of electric fields on both nonretarded and retarded noncovalent interactions between atoms or molecules. To this end, we apply perturbative non-perturbative methods within frameworks quantum mechanics (QM) as well electrodynamics (QED). In addition, to provide a transparent physical picture different types resulting interac...

A quantum chemical investigation was carried out to study the properties of intermolecular F•••F, Br•••Br and Br•••O interactions in crystalline 1-bromo-2,3,5,6-tetrafluoro-nitrobenzene (BFNB). This system was selected to mimic the halogen-halogen as well as halogen bonding interactions found within crystal structures as well as within biological systems. We found that fluorine atoms have weak ...

background: the primary objective of this study was to determine the association between risk factors and the prevalence of musculoskeletal disorder (msd) among auto repair mechanics in klang valley, malaysia. methods: overall, 191 mechanics from eight auto repair centers in klang valley, malaysia were stratified sampling as participants of this study. a modified version of the general standard...

We report a new spectroscopic fingerprint of intermolecular contacts in halogen bond-driven self-assembling aggregates and a precise determination of intermolecular NI distances in microcrystalline samples.

Targeting the interaction between tumor suppressor p53 and murine double minute 2(MDM2) has been an attractive therapeutic strategy of recent cancer research. There are a few number MDM2-targeted anticancer drug molecules undergoing clinical trials, yet none them have approved so far. In this study, new approach is employed in which dynamics MDM2 obtained by elastic network models used as guide...

A chemoenzymatic method for the synthesis of haloethers is presented. combination enzymatic hypohalite with spontaneous oxidation alkenes and nucleophilic attack by various alcohols enabled a wide range haloethers. The reaction system has been characterised current imitations have worked out. In present, aqueous system, hydroxyhalide formation represents main undesired side reaction. Neverthele...