Studies on the thermodynamics and solute–solvent interaction of Polyvinyl pyrrolidone wrapped single walled carbon nanotubes (PVP-SWNTs) in water over temperature range 298.15–313.15 K
Sign Up to like & getrecommendations! Published in 2017 at "Arabian Journal of Chemistry"
DOI: 10.1016/j.arabjc.2013.06.022
Abstract: Abstract The water solubilisation of single walled carbon nanotubes (SWNTs) has been achieved by polymer wrapping. The present study aims at highlighting the solute–solvent interaction and thermodynamic parameters in the solubilisation of polyvinyl pyrrolidone wrapped… read more here.
Keywords: thermodynamics; water; solute solvent; walled carbon ... See more keywords
Robust numerical solution for the two parameter solute solvent transport model.
Sign Up to like & getrecommendations! Published in 2020 at "Cryobiology"
DOI: 10.1016/j.cryobiol.2020.06.015
Abstract: Prediction of solute and solvent transport in cells is central to developing and testing cryopreservation protocols. As we show here, however, the models used can be difficult to accurately numerically integrate in some key cases,… read more here.
Keywords: solute solvent; solvent transport; robust numerical;
The study of solute–solvent interactions in the ternary {Amino acid (Glycine or l-serine) + ionic liquid (1-butyl-3-methylimidazolium tetra fluoroborate [Bmim][BF4]) + H2O} system at different temperatures and ambient pressure: Volumetric study
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2016.12.116
Abstract: Abstract The solute–solvent interactions in the studied aqueous ternary systems containing some amino acids (Glycine or l -serine) and ionic liquid (1-butyl-3-methylimidazolium tetra fluoroborate [Bmim][BF4]) are studied by using the volumetric properties data. These properties… read more here.
Keywords: ionic liquid; glycine serine; solute solvent; molar volumes ... See more keywords
Equilibrium solubility and solute-solvent interactions of carvedilol (Form I) in twelve mono solvents and its application for supercritical antisolvent precipitation
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2019.111622
Abstract: Abstract In recent years, various polymorphic forms have been identified, including solvates of carvedilol. In this study, the solubility values of a thermodynamically stable form (Form I) of carvedilol in acetone, 1-butanol, dichloromethane, ethanol, ethyl… read more here.
Keywords: form; antisolvent precipitation; solute solvent; solubility ... See more keywords
Solute–solvent interactions of ibuprofen in the aqueous solutions of 1–propanol: Volumetric, acoustic and viscometric study
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2020.115056
Abstract: Abstract Ternary system contains ibuprofen + water +1–propanol in the certain composition have been reported as forming two phases systems. Therefore solute–solvent and solute–solute interactions are necessary for a fundamental understanding of the phase equilibrium… read more here.
Keywords: solute solvent; acoustic viscometric; apparent molar; volumetric acoustic ... See more keywords
Method to Compute the Solute–Solvent Dispersion Contribution to the Electronic Excitation Energy in Solution
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.2c00652
Abstract: A method formulated within the polarizable continuum model of the solvent and a quantum Monte Carlo treatment of the electronic states of the solute molecule is presented for the calculation of the solute–solvent dispersion contribution… read more here.
Keywords: state; solvent dispersion; dispersion; energy ... See more keywords
Re-Balancing Replica Exchange with Solute Tempering for Sampling Dynamic Protein Conformations.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c01139
Abstract: Replica exchange with solute tempering (REST) is a highly effective variant of replica exchange for enhanced sampling in explicit solvent simulations of biomolecules. By scaling the Hamiltonian for a selected "solute" region of the system,… read more here.
Keywords: replica exchange; exchange solute; exchange; solute solvent ... See more keywords
Probing the Solute-Solvent Interaction of an Azo-Bonded Prodrug in Neat and Binary Media: Combined Experimental and Computational Study
Sign Up to like & getrecommendations! Published in 2019 at "Scientific Reports"
DOI: 10.1038/s41598-019-39028-1
Abstract: Preferential solvation has significant importance in interpreting the molecular physicochemical properties of wide spectrum of materials in solution. In this work, the solute-solvent interaction of pro-drug Sulfasalazine (SSZ) in neat and binary media was investigated… read more here.
Keywords: binary media; solute solvent; solvent interaction; interaction ... See more keywords
Solute-solvent electronic interaction is responsible for initial charge separation in ruthenium complexes [Ru(bpy)3]2+ and [Ru(phen)3]2+
Sign Up to like & getrecommendations! Published in 2019 at "Communications Chemistry"
DOI: 10.1038/s42004-019-0213-5
Abstract: Origin of the initial charge separation in optically-excited Ruthenium(II) tris(bidentate) complexes of intrinsic D3 symmetry has remained a disputed issue for decades. Here we measure the femtosecond two-photon absorption (2PA) cross section spectra of [Ru(2,2′-bipyridine)3]2… read more here.
Keywords: ruthenium; solute solvent; charge separation; ruthenium complexes ... See more keywords