Interaction of fluoroalkyl with water is the key parameter tailoring applications organofluorines in diverse fields. Nevertheless, how fluorination modifies an alkyl group's interaction and associated local hydrophobicity largely unknown. Using Raman difference spectroscopy simultaneous curve fitting (RD-SCF) MD simulation, we show that breaks down tetrahedral structure otherwise present around group (hydrophobic hydration). Electrostatic perturbation (due to fluorination) restricts...

Proteins are built of amino acid residues that differ from each other only by their side chain. The pH-dependent response these chains on protein surface is vital for various biological processes. Here we have investigated the aqueous interface in presence different at varying pH (bulk) using heterodyne-detected vibrational sum-frequency generation (HD-VSFG) spectroscopy. It observed amine/imidazolic (e.g., lysine/histidine) and alcoholic serine threonine) preferentially orient interfacial...

Ionic perturbation of water has important implications in various chemical, biological and environmental processes. Previous studies revealed the structural dynamical presence ions, mainly with concentrated electrolyte solutions having significant interionic interactions. These investigations highlighted need selective extraction hydration shell from a dilute solution that is largely free Double-difference infrared (DDIR) Raman multivariate curve resolution (Raman-MCR), as well MD...

The behavior of perfluorinated persistent organic pollutants (POPs), especially perfluoroalkyl carboxylic and sulfonic acids, at aqueous interfaces is crucial for their transport speciation in the environment subsequent immunotoxicity. Here, we investigate surface prevalence interfacial interaction a prototype perfluorinated-POP, perfluoroheptanoic acid (PFHA), with environmentally relevant amphiphiles varying hydrophobicity head groups (CnH2n+1-X; n: 8 vs 16; -X: -OH -COOH) using...

Perfluoro compounds are widely used in various manufacturing processes, which leads to their bioaccumulation and subsequent adverse effects on human health. Using interface-selective vibrational spectroscopy (heterodyne-detected sum frequency generation (HD-VSFG)), we have elucidated the molecular mechanism of perturbation lipid monolayers water surface using a prototype perfluorinated persistent organic pollutant, perfluoroheptanoic acid (PFHA). PFHA disrupts well-ordered all-trans...

Painters experience occupational exposure through inhalation and skin absorption to various chemicals that are used as ingredients of paint mixtures other related painting trades. Although several investigations indicated significant contribution via exhibit harmful effects on health among painters, assessment the hazards is limited. Here, we evaluated a number organic relevant trades using mathematical models. For this purpose, estimated permeability coefficient Potts Guy correlation...

Cleaning workers experience occupational hazards, such as skin diseases and respiratory illness, due to their exposure the ingredients of cleaning chemicals. To control chemical through inhalation route, airborne concentration chemicals is maintained within its limits (OELs). However, universally accepted OELs for dermal are lacking. Unavailability experimentally determined values absorption parameters one reasons behind it. Herein, we estimated (e.g., octanol–water partition coefficient,...

Assessment of Occupational Safety and Health (OSH) process plants is an important aspect in safety management. Quantitative assessment necessary to compare the OSH status different plants. For this purpose, usually, evaluation team constituted which evaluates performance based on available related information. The arrives at a decision through discussions mutual agreement. However, while working group, there always remains possibility ‘groupthink’ behavior may lead inappropriate without...