Nature of hydration shells of a polyoxy‐anion with a large cationic centre: The case of iodate ion in water
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.25185
Abstract: The structural nature of the solvation shells of an iodate ion, which is known to be a polyoxy‐anion with a large cationic centre, is investigated by means of Born–Oppenheimer molecular dynamics (BOMD) simulations using BLYP… read more here.
Keywords: solvation; water; ion water; iodate ion ... See more keywords
The Many-Body Expansion for Aqueous Systems Revisited: II. Alkali Metal and Halide Ion-Water Interactions.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.0c01309
Abstract: We present a detailed study of the many-body expansion (MBE) for alkali metal and halide ion-water interactions and quantify the effect of these ions on the strength of the surrounding aqueous hydrogen bonding environment. Building… read more here.
Keywords: alkali metal; many body; water; water interactions ... See more keywords
Theory of Ion and Water Transport in Electron-Conducting Membrane Pores with p H-Dependent Chemical Charge
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review Applied"
DOI: 10.1103/physrevapplied.12.014039
Abstract: In this work, we develop an extended uniform potential (UP) model for a membrane nanopore by including two different charging mechanisms of the pore walls, namely by electronic charge and by chemical charge. These two… read more here.
Keywords: membrane; electronic charge; theory ion; charge ... See more keywords
Computational Study of the Ion and Water Permeation and Transport Mechanisms of the SARS-CoV-2 Pentameric E Protein Channel
Sign Up to like & getrecommendations! Published in 2020 at "Frontiers in Molecular Biosciences"
DOI: 10.3389/fmolb.2020.565797
Abstract: Coronavirus disease 2019 (COVID-19) is caused by a novel coronavirus (SARS-CoV-2) and represents the causative agent of a potentially fatal disease that is a public health emergency of international concern. Coronaviruses, including SARS-CoV-2, encode an… read more here.
Keywords: sars cov; ion water; protein channel; water permeation ... See more keywords
50 Years since Kaufman and Phillips’ Groundbreaking Trilogy Elucidating Ion and Water Homeostasis in Ixodid Ticks
Sign Up to like & getrecommendations! Published in 2023 at "Pathogens"
DOI: 10.3390/pathogens12030385
Abstract: The enormous volume of blood ingested by hard ticks during their long attachment period is without a doubt the hallmark of their biology. Maintaining a homeostatic balance between ion and water intake and loss during… read more here.
Keywords: kaufman phillips; water; ion water; ixodid ticks ... See more keywords
Physicochemical properties and detergency of special electrolytic-reduction ion water.
Sign Up to like & getrecommendations! Published in 2022 at "Drug discoveries & therapeutics"
DOI: 10.5582/ddt.2022.01027
Abstract: The detergency of special electrolytic-reduction ion water (S-100) was evaluated in comparison with typical synthetic surfactants. Furthermore, to examine the cleaning mechanism of S-100, various physicochemical characteristics of S-100 were measured and a comprehensive evaluation… read more here.
Keywords: reduction ion; detergency special; electrolytic reduction; special electrolytic ... See more keywords