Results 11 to 20 of about 9,965 (254)
Sublimation/vaporization and solvation enthalpies of monosubstituted pyridine derivatives
Chemical Thermodynamics and Thermal Analysis, 2022 Different sectors, including medicine and display technology, utilize substituted pyridines. To establish the quality of products manufactured from pyridines, chemical thermodynamics of the solvation and evaporation enthalpies of the pyridines are ...
Rawand S. Abdullah, Boris N. Solomonov
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Thermo, 2023 3D-RISM-KH molecular solvation theory based on statistical mechanics has been an engine of the multiscale methods framework, which also includes molecular simulation techniques.
Dipankar Roy, Andriy Kovalenko
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A Thermodynamic Study on the Binding of Polyethyleneglycol 1500 Stearic Acid with Lysozyme
Orbital: The Electronic Journal of Chemistry, 2019 Thermodynamics of the interaction between copolymer of Stearic acid + polyethyleneglycol 1500 mixtures, S1500, with lysozyme was investigated at pH 7.0 and 27 °C in phosphate buffer by isothermal titration calorimetry, ITC.
Mohsen Mohammadian +3 more
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Molecules, 2018 The precise description of solute-water interactions is essential to understand the chemo-physical nature in hydration processes. Such a hydration thermodynamics for various solutes has been explored by means of explicit or implicit solvation methods ...
Hankyul Lee, Hyung-Kyu Lim, Hyungjun Kim
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Quantum Chemical Microsolvation by Automated Water Placement
Molecules, 2021 We developed a quantitative approach to quantum chemical microsolvation. Key in our methodology is the automatic placement of individual solvent molecules based on the free energy solvation thermodynamics derived from molecular dynamics (MD) simulations ...
Miguel Steiner +3 more
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Solvation and chemical engineering thermodynamics [PDF]
Journal of the Chinese Institute of Chemical Engineers, 2007 Abstract With the continued advances in computational chemistry, solvation calculation from first principle methods is becoming a promising route for phase equilibrium modeling. However, except in a few instances, such an approach has not been widely adopted, which may be a consequence of the abstractness of solvation itself and also of the lack of a
Lin, Shiang-Tai +2 more
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Nature Communications, 2023 Liquid-liquid phase separation (LLPS) can drive a multitude of cellular processes by compartmentalizing biological cells via the formation of dense liquid biomolecular condensates, which can function as membraneless organelles.
Saumyak Mukherjee, Lars V. Schäfer
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Influence of the solvent on the stability of bis(terpyridine) structures on graphite
Beilstein Journal of Nanotechnology, 2013 The effect of solvation on the adsorption of organic molecules on graphite at room temperature has been addressed with force-field molecular dynamics simulations.
Daniela Künzel, Axel Groß
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Frontiers in Materials, 2023 Poly (N-isopropylacrylamide) (PNIPAM) is a famous representative of thermosensitive polymers. Thermosensitive polymers undergo a phase transition with lower critical solution temperature.
Patrick K. Quoika +6 more
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Solubility, Correlation, Dissolution Thermodynamics and Preferential Solvation of Meloxicam in Aqueous Mixtures of 2-Propanol [PDF]
Pharmaceutical Sciences, 2022 Background: Meloxicam is a powerful analgesic and anti-inflammatory drug widely prescribed by physicians in current therapeutics. Because of the very low aqueous equilibrium solubility of meloxicam, this property has been studied in {2-propanol + water ...
Darío A Tinjacá +4 more
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