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Solvent-Environment Dependence of the Excess Chemical Potential and Its Computation Scheme Formulated through Error Minimization
Solvent environment may significantly affect the equilibria involving flexible solute species, such as proteins and polymers. In the …
Stefan Hervø-Hansen
,
Kazuya Okita
,
Kento Kasahara
,
Nobuyuki Matubayasi
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DOI
Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects
The roles of cations and anions are different in the perturbation on solvation, and thus, the analyses of the separated contributions …
Stefan Hervø-Hansen
,
Daoyang Lin
,
Kento Kasahara
,
Nobuyuki Matubayasi
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Salt Effects on Caffeine across Concentration Regimes
Salts affect the solvation thermodynamics of molecules of all sizes; the Hofmeister series is a prime example in which different ions …
Stefan Hervø-Hansen
,
Jakub Polák
,
Markéta Tomandlová
,
Joachim Dzubiella
,
Jan Heyda
,
Mikael Lund
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Counterintuitive Electrostatics upon Metal Ion Coordination to a Receptor with Two Homotopic Binding Sites
The consecutive binding of two potassium ions to a bis(18-crown-6) analogue of Tröger’s base (BCETB) in water was studied by isothermal …
Vidar Aspelin
,
Anna Lidskog
,
Carlos Solano Arribas
,
Stefan Hervø-Hansen
,
Björn Stenqvist
,
Richard Chudoba
,
Kenneth Wärnmark
,
Mikael Lund
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Anion–cation contrast of small molecule solvation in salt solutions
The contributions from anions and cations from salt are inseparable in their perturbation of molecular systems by experimental and …
Stefan Hervø-Hansen
,
Jan Heyda
,
Mikael Lund
,
Nobuyuki Matubayasi
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DOI
Impact of Arginine–Phosphate Interactions on the Reentrant Condensation of Disordered Proteins
Re-entrant condensation results in the formation of a condensed protein regime between two critical ion concentrations. The process is …
Samuel Lenton
,
Stefan Hervø-Hansen
,
Anton M. Popov
,
Mark D. Tully
,
Mikael Lund
,
Marie Skepö
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Total Description of Intrinsic Amphiphile Aggregation: Calorimetry Study and Molecular Probing
Isothermal titration calorimetry (ITC) is an apt tool for a total thermodynamic description of self-assembly of atypical amphiphiles …
Roberto Fernandez-Alvarez
,
Žiga Medoš
,
Zdeněk Tošner
,
Alexander Zhigunov
,
Mariusz Uchman
,
Stefan Hervø-Hansen
,
Mikael Lund
,
Marija Bešter-Rogač
,
Pavel Matějíček
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