Zobrazeno 1 - 10
of 159
pro vyhledávání: '"Nico F. A. van der Vegt"'
Publikováno v:
Nanomaterials, Vol 10, Iss 8, p 1460 (2020)
The small-system method (SSM) exploits the unique feature of finite-sized open systems, whose thermodynamic quantities scale with the inverse system size. This scaling enables the calculation of properties in the thermodynamic limit of macroscopic sy
Externí odkaz:
https://doaj.org/article/2f0249eadc104eaaa841ce28ed6fdcc5
Autor:
Swaminath Bharadwaj, Bart-Jan Niebuur, Katja Nothdurft, Walter Richtering, Nico F. A. van der Vegt, Christine M. Papadakis
Publikováno v:
Soft Matter. 18:2884-2909
Cononsolvency is an intriguing phenomenon where a polymer collapses in a mixture of good solvents. This cosolvent-induced modulation of the polymer solubility has been observed in solutions of several polymers and biomacromolecules, and finds applica
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cd160dadfb344f023d739046a2bf502b
https://doi.org/10.1039/d2sm00146b
https://doi.org/10.1039/d2sm00146b
Publikováno v:
The Journal of Physical Chemistry B. 125:11026-11035
Cohesive interaction free energies entail an entropic component related to fluctuations of the energy associated with the attractive portion of the solute-solvent potential. The corresponding "fluctuation entropy" is fundamental in the solvation ther
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bbfa5dfef72da414fa8320415d47cfdd
https://doi.org/10.1021/acs.jpcb.1c05748
https://doi.org/10.1021/acs.jpcb.1c05748
Autor:
Pritam, Ganguly, Dominik, Bubák, Jakub, Polák, Patrik, Fagan, Martin, Dračínský, Nico F A, van der Vegt, Jan, Heyda, Joan-Emma, Shea
Publikováno v:
The journal of physical chemistry letters. 13(34)
Using a combination of molecular dynamics simulation, dialysis experiments, and electronic circular dichroism measurements, we studied the solvation thermodynamics of proteins in two osmolyte solutions, trimethylamine
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::8fe5526522afa1beee3519ae630a6963
https://pubmed.ncbi.nlm.nih.gov/35984361
https://pubmed.ncbi.nlm.nih.gov/35984361
Publikováno v:
The Journal of Physical Chemistry B. 125:680-688
Salt effects on the solubility of uncharged polymers in aqueous solutions are usually dominated by anions, while the role of the cation with which they are paired is often ignored. In this study, we examine the influence of three aqueous metal iodide
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::43f6c2d92ff582c593a059c7926ecb3f
https://doi.org/10.1021/acs.jpcb.0c11076
https://doi.org/10.1021/acs.jpcb.0c11076
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(17)
Nonadditive ion effects on the coil–globule equilibrium of PNIPAM arise due to the interplay between the depletion of the strongly hydrated sulfate ions and the preferential binding of the iodide ions on the polymer.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7a6714c7d37bf976b90453cc382e3483
https://pubmed.ncbi.nlm.nih.gov/35438114
https://pubmed.ncbi.nlm.nih.gov/35438114
Publikováno v:
The journal of physical chemistry letters. 13(16)
The use of the Lennard-Jones (LJ) potential in computer simulations of aqueous electrolyte solutions is widespread. The standard approach is to parametrize LJ potential parameters against thermodynamic solution properties, but problems in representin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7cad42b61b52e27ac67f56129211d109
https://pubmed.ncbi.nlm.nih.gov/35439420
https://pubmed.ncbi.nlm.nih.gov/35439420
Publikováno v:
Communications Chemistry, Vol 3, Iss 1, Pp 1-7 (2020)
Amphiphilic cosolvents can cause both swelling and collapse of stimuli responsive polymers, but the mechanisms governing this behavior remain unclear. Here the authors use molecular dynamics simulations to explain interfacial solvation thermodynamics
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doajarticles::786e78549d273f017d3d43d8a03dbe8b
http://link.springer.com/article/10.1038/s42004-020-00405-x
http://link.springer.com/article/10.1038/s42004-020-00405-x
Autor:
Chad I. Drexler, Halil I. Okur, Paul S. Cremer, Ellen E Bruce, Bradley A. Rogers, Nico F. A. van der Vegt, Sina Stegmaier, Sylvie Roke
Publikováno v:
Journal of the American Chemical Society
Ion identity and concentration influence the solubility of macromolecules. To date, substantial effort has been focused on obtaining a molecular level understanding of specific effects for anions. By contrast, the role of cations has received signifi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::600516a85f8e2a19a6c04248d55bdca3
https://doi.org/10.1021/jacs.0c07214
https://doi.org/10.1021/jacs.0c07214
Publikováno v:
The Journal of Physical Chemistry B. 124:6508-6519
The osmolyte trimethylamine-N-oxide (TMAO) is able to increase the thermodynamic stability of folded proteins, counteracting pressure denaturation. Herein, we report experimental solubility data on...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9975cf18c50d30667ca353f45f8df0fa
https://doi.org/10.1021/acs.jpcb.0c03319
https://doi.org/10.1021/acs.jpcb.0c03319