Results 51 to 60 of about 179,504 (276)

Thermodynamics of Ag(I) Complex Formations with 2-Mercaptoimidazole in Water−Dimethyl Sulfoxide Solvents

open access: yesInorganics, 2023
The stability of coordination compounds of metal ions with ligands is of fundamental importance for elaborating upon practical sensors for the detection and quantification of metal ions in environmental samples.
Surayo Bobosaidzoda   +7 more
doaj   +1 more source

Adenosine triphosphate as a modulator of protein interactions and stability

open access: yesFEBS Open Bio, EarlyView.
ATP is best known as the cell's energy currency, but it also shapes how proteins fold, interact, aggregate and form biomolecular condensates. This review explains the emerging physical principles behind these effects, including weak binding to charged protein regions, magnesium‐dependent behaviour and concentration‐dependent control of protein ...
Shuyuan Tan, Robin Curtis
wiley   +1 more source

Linear Free-Energy Relationships and Solvation Thermodynamics: The Thermodynamic Basis of LFER Linearity

open access: yes, 2023
The Abraham solvation parameter model, known alternatively as the Linear Solvation Energy Relationships (LSER) model, is widely used in numerous applications in the broader chemical, biochemical, and environmental sector with remarkable success.
Ioannis Zuburtikudis   +5 more
core   +1 more source

Entropy Effects in Intermolecular Associations of Crown-Ethers and Cyclodextrins with Amino Acids in Aqueous and in Non-Aqueous Media

open access: yesEntropy, 2021
The analysis of the ratios of entropy and enthalpy characteristics and their contributions to the change in the Gibbs energy of intermolecular interactions of crown ethers and cyclodextrins with amino acids is carried out.
Tatyana Usacheva   +6 more
doaj   +1 more source

Heterotropic regulation and negative homotropic cooperativity

open access: yesFEBS Open Bio, EarlyView.
We identified a structural module common to some proteins that couple negative cooperativity with heterotropic regulation, two features that rarely coexist. These proteins are ring‐like and present an ordered asymmetry whereby noncontacting subunits are symmetric, and their tertiary structure differs from that of contacting subunits.
Veronica Morea   +5 more
wiley   +1 more source

Can approximate integral equation theories accurately predict solvation thermodynamics [PDF]

open access: yes, 2016
The thesis focuses on the prediction of solvation thermodynamics using integral equation theories. Our main goal is to improve the approach using a rational correction. We achieve it by extending recently introduced pressure correction, and rationalizing
Misin, Maksim
core   +2 more sources

Solubility of sulphadiazine in (acetonitrile + water) mixtures: measurement, correlation, thermodynamics and preferential solvation

open access: yes, 2019
The equilibrium solubility at temperatures from (293.15 to 313.15) K, dissolution thermodynamics and preferential solvation of sulphadiazine (SD) in {acetonitrile (ACN) (1) + water (2)} mixtures is reported.
Narjes Mirheydari, Seyyedeh   +8 more
core   +2 more sources

Replica RISM molecular solvation theory for electric double layer in nanoporous materials

open access: yesCondensed Matter Physics
Applications of 3D-RISM-KH molecular solvation theory range from solvation energy of small molecules to phase behavior of polymers and biomolecules. It predicts the molecular mechanisms of chemical and biomolecular systems.
Andriy Kovalenko
doaj   +1 more source

A molecular reconstruction approach to site-based 3D-RISM and comparison to GIST hydration thermodynamic maps in an enzyme active site.

open access: yesPLoS ONE, 2019
Computed, high-resolution, spatial distributions of solvation energy and entropy can provide detailed information about the role of water in molecular recognition. While grid inhomogeneous solvation theory (GIST) provides rigorous, detailed thermodynamic
Crystal Nguyen   +6 more
doaj   +1 more source

Characterization of the key membrane protein cytochrome Cyc2 from Ghiorsea bivora

open access: yesFEBS Open Bio, EarlyView.
This study reports the first detailed biochemical analysis of Cyc2TAG1_1, a cytochrome protein involved in microbial iron oxidation. We produced and purified this enzyme in E. coli, then measured its iron‐oxidizing efficiency, and characterized its electrical and structural properties.
Josiane Azizi   +6 more
wiley   +1 more source

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