Phase stability, electronic, mechanical, lattice distortion, and thermal properties of complex refractory-based high entropy alloys TiVCrZrNbMoHfTaW with varying elemental ratios.

This study examines the intricate area of refractory-based high entropy alloys (RHEAs), focusing on a series of complex compositions involving nine diverse refractory elements: Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W. We investigate the phase stability, bonding interactions, electronic structures, lattice distortions, mechanical, and thermal properties of six RHEAs with varying elemental ratios using VASP and OLCAO DFT calculations. Through comprehensive analysis, we investigate the impact of elemental variations on the electronic structure, interacting bond dynamics, lattice distortion, thermodynamic, mechanical, and thermal properties within these RHEAs, providing an insight into how these specific elemental variations in composition give rise to changes in the calculated properties in ways that would guide future experimental and computational efforts.

Psychometric properties of the Malay and Chinese Epilepsy Self-Stigma Scale (ESSS).

Objective: Self-stigma means internalizing negative beliefs and attitudes associated with stigmatized identity. This study aimed to translate and validate the Malay and Chinese versions of the Epilepsy Self-Stigma Scale (ESSS).

Methods: The Epilepsy Self-Stigma Scale was translated into the Malay (ESSS-M) and Chinese versions (ESSS-C) according to standard principles and were tested in 100 Malay and 100 Chinese-speaking people with epilepsy (PWE) respectively.

Health risks of environmentally persistent free radicals in atmospheric particulate matter during the spring festival travel season in Tainan, Taiwan.

Environmentally persistent free radicals (EPFRs) and polycyclic aromatic hydrocarbons (PAHs) are persistent pollutants in atmospheric particulate matter that are detrimental to human health. This study collected atmospheric particulate matter during and after the spring festival travel season in Tainan, Taiwan, from various locations and analyzed the carbon composition and PAH isomeric ratios to identify the sources. In this study, EPFR concentrations were measured using electron paramagnetic resonance spectroscopy, with the highest concentration found to be 3.

Mechanical Properties of a Solvated Biomolecule: RGD (1FUV) Peptide.

The mechanical properties of proteins/peptides play an essential role in their functionalities and implications, as well as their structure and dynamic properties. Understanding mechanical properties is pivotal to our knowledge of protein folding and the molecular basis of diverse cellular processes. Herein, we present a computational approach using ab initio quantum mechanical calculations to determine the mechanical properties-such as bulk modulus, shear modulus, Young's modulus, and Poisson's ratio-of a solvated Arg-Gly-Asp (RGD) peptide model.