Micron-sized water droplets in a cryogenic flow tube were probed by IR spectroscopy. The analysis of the IR spectra suggests that there is a relative increase of about 30% in the fraction, f(L), of low density domains in water on cooling over the temperature range between 300 and 240 K. The results derived from the experiments agree qualitatively with those of molecular dynamics (MD) simulations in terms of the increase in the f(L) values. The MD simulations show that the intensities of the mode at about 100 cm(-1) for the molecules in the low density domains are reduced in comparison to the average, while the intensities and frequencies of the librational mode at 600 cm(-1) are increased. Furthermore, the reorientations (dielectric relaxation times) in these domains are found to be somewhat slower, pointing to the fact that these low density "cages" live longer than the average local molecular environments in supercooled water.
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http://dx.doi.org/10.1063/1.1787494 | DOI Listing |
J Agric Food Chem
January 2025
Department of Agro-Industry, Faculty of Agriculture, Natural Resources and Environment, Naresuan University, 99 Moo 9, Tha Pho, Phitsanulok 65000, Thailand.
This study aimed to evaluate the cholesterol-regulatory effects of lauric-acid-esterified octacosanol (LEO) and oleic-acid-esterified octacosanol (OEO) compared to their unmodified counterparts and to investigate the underlying mechanisms by partially substituting the fat content in obese C57BL/6J mice induced with a high-fat diet (HFD). Rice bran oil and coconut oil were also investigated as they are rich in oleic acid and lauric acid, respectively. The results showed that all supplemented groups significantly inhibited weight gain induced by the HFD, but the groups treated with esterified octacosanol exhibited a more pronounced effect.
View Article and Find Full Text PDFChemphyschem
January 2025
Durgapur Government College, Department of Chemistry, INDIA.
The relative reactivity and cis/trans selectivity of the intramolecular [3+2] cycloaddition (IM32CA) reactions of nitrile oxide (NO), azide (AZ), nitrile sulfide (NS) and nitrile ylide (NY), leading to functionalized heterocycles are studied within the Molecular Electron Density Theory. The kinetically controlled IM32CA reactions are predicted to be cis stereospecific, while the reaction feasibility follows the order NY > NS > NO > AZ with the respective activation Gibbs free energies of 13.7, 17.
View Article and Find Full Text PDFPLoS One
January 2025
Lecturer College of Civil and Traffic Engineering, Henan University of Urban Construction, Ping Dingshan, China.
Moisture content profoundly influences the engineering properties of expansive soil, a critical consideration in various geotechnical applications. This study delves into the intricate relationship between water content and the physical properties of bentonite, a key constituent of expansive soil. Through a comprehensive analysis encompassing fundamental physical properties, rheological characteristics, permeability behavior, and microscopic features, we elucidate the complex interplay between water content and bentonite behavior.
View Article and Find Full Text PDFBackground: Familial hyperlipidemia (familial hypercholesterolemia, FH) is an autosomal genetic disorder. It includes type heterozygous familial hyperlipidemia (heterozygous familial hypercholesterolemia). HeFH is mainly caused by mutations in the LDLR, APOB, and PCSK9 genes and is characterized by elevated plasma low-density lipoprotein cholesterol levels.
View Article and Find Full Text PDFBackground: The aim of this study was to determine the reference intervals of 14 clinical biochemistry tests in healthy individuals aged 18 - 65 years. The reference intervals determined by using direct and indirect methods were compared with each other and the manufacturer's RI in terms of gender.
Methods: Blood was collected from 302 reference subjects selected on the basis of admission and exclusion criteria based on the procedures set out in document C28-A3, and 14 clinical chemistry tests were performed using the analytical systems available in our laboratory.
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