Results 21 to 30 of about 9,965 (254)

Volatile Metal Complexes

CHIMIA, 1994
The thermodynamics of the formation of gaseous metal complexes and their solvation in nonaqueous solvents is briefly reviewed.
Franzpeter Emmenegger
doaj   +2 more sources

Study of The Effect of Solvation on Thermodynamic Parameters

International Journal of Scientific Research in Science and Technology, 2023
In the present research paper, we study about the effect of solvation on thermodynamic parameters. The main difference between reactions in solution and in the gas, phase is the formation and participation of ions. It is pertinent to consider the process of forming ions. It is pertinent to consider the process of forming ions from neutral molecules and
null Thaneshwar Subedi, null Prof. (Dr.) Ram Kumar   +1 more
openaire   +1 more source

A calorimetric investigation for the bindings of mushroom tyrosinase to p-phenylene-bis dithiocarbamate and xanthates [PDF]

Journal of the Serbian Chemical Society, 2013
A comprehensive, simple and rapid thermodynamic study on the interaction of Mushroom Tyrosinase, MT, with three iso-alkyldithiocarbonates (xanthates), as sodium salts, C3H7OCS2Na (I), C4H9OCS2Na (II), C5H11OCS2Na (III) and p-phenylene-bis ...
Rezaei Behbehani Gholam Reza, Mehreshtiagh Melisa, Barzegar Lyla, Saboury Akbar Ali   +3 more
doaj   +1 more source

An unexpected alternative viologen electron mediator site in tungsten‐containing formate dehydrogenase

FEBS Letters, EarlyView.
An unexpected alternative interaction site for ethyl viologen was identified in formate dehydrogenase 1 from Methylorubrum extorquens. Combined mutagenesis, kinetic analysis, and docking revealed that aromatic residues near an iron–sulfur cluster enable flavin mononucleotide‐independent electron transfer, offering a framework for engineering improved ...
Eleni G. Poloniataki, Yong Hwan Kim
wiley   +1 more source

Reconstructing enzyme evolution by protein engineering

FEBS Letters, EarlyView.
Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler, Markus R. Busch, Reinhard Sterner   +2 more
wiley   +1 more source

Compensation Relationships in the Solvation Thermodynamics of Proton Acceptors in Aliphatic Alcohols

Liquids
Solvent association and solute–solvent complexation are known to influence the relationship between the thermodynamic functions of solvation, known as the compensation relationship.
Boris N. Solomonov, Mansur B. Khisamiev, Mikhail I. Yagofarov   +2 more
doaj   +1 more source

Propagation of uncertainty in physicochemical data to force field predictions

Physical Review Research, 2020
The solvation free energy (SFE) is a key property in the thermodynamics of chemical processes. It can be evaluated using molecular simulations with good statistical accuracy. However, force field predictions exhibit systematic errors due to uncertainties
Ahmet Yildirim, Mohammad Mehdi Ghahremanpour, David van der Spoel   +2 more
doaj   +1 more source

Molecular dynamics simulations of positively selected codons in FcγRI reveal novel biochemical binding properties

FEBS Open Bio, EarlyView.
Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young, Omar Arias‐Gaguancela, Fiona Gibson, Morgan Grainger, Jodie Score, Amit Nathubhai, Mauricio Cafiero, Lee Richard Machado   +7 more
wiley   +1 more source

Directed evolution of enzymes at the crossroads of tradition and innovation

FEBS Open Bio, EarlyView.
An iterative cycle of data‐driven enzyme optimization comprising four stages: genetic diversification of a template enzyme, expression of protein variants, high‐throughput evaluation, and machine‐learning‐guided redesign of the next variant library.
Maria Tomkova, Andrej Mirossay, Erik Sedlak   +2 more
wiley   +1 more source

Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes

FEBS Open Bio, EarlyView.
Group A Streptococcus (GAS) acquires covRS mutations driving a hypervirulent bacterial state, frequently associated with invasive disease‐like necrotizing fasciitis. We demonstrate that the newly emerged M1UK GAS lineage can also acquire these mutations.
Jarrad Pritchard, Emma‐Jayne Proctor, Jiawa Wang, Nikolas P. Johnston, Andrew Hayes, Georgia McCorkell, Haibo Yu, Jai Tree, Mark R. Davies, Mark J. Walker, Ronald Sluyter, Stephan Brouwer, Martina L. Sanderson‐Smith   +12 more
wiley   +1 more source