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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Enthalpy–entropy compensation: the role of solvation [PDF]
European Biophysics Journal, 2016 Structural modifications to interacting systems frequently lead to changes in both the enthalpy (heat) and entropy of the process that compensate each other, so that the Gibbs free energy is little changed: a major barrier to the development of lead compounds in drug discovery.
Anatoliy I. Dragan +2 more
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The Effects of Solvation Enthalpy, Surface Tension, and Conductivity of Common Additives on Positive Electrospray Ionization in Selected Pharmaceuticals [PDF]
MoleculesThis study investigates the effects of common additives, which provide distinct proton sources—ammonium (NH4+) and hydronium (H3O+)—along with their corresponding conjugate base species, on signal intensity in positive ionization mode.
Pieter Venter
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Molecular and Thermodynamic Insights into the Enthalpy-Entropy Shift Governing HILIC Retention of Labelled Dextrans [PDF]
MoleculesHydrophilic interaction liquid chromatography (HILIC) is widely used for the analysis of glycans and oligosaccharides, yet the molecular basis of retention remains incompletely understood.
Matjaž Grčman +3 more
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Evaluating Theoretical Solvent Models for Thermodynamic and Structural Descriptions of Dacarbazine–Cyclodextrin Complexes. The Theoretical and Conductometric Study [PDF]
MoleculesIn this study, the influence of various implicit solvent models on the structural and thermodynamic properties of dacarbazine complexes with three cyclodextrins—α-CD, HP-β-CD, and HE-β-CD—was evaluated.
Zdzisław Kinart +2 more
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Measurement and modeling of rizatriptan in supercritical CO2 for pharmaceutical processing [PDF]
Scientific ReportsThis study examines the solubility of rizatriptan, a migraine medication, in supercritical carbon dioxide. The goal is to promote environmentally friendly drug manufacturing methods, such as antisolvent precipitation via supercritical fluids.
Sami Bawazeer
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Hydroxyl Radical Scavenging by Aucubin: A Mechanistic Study [PDF]
AntioxidantsThis study investigates the antioxidant properties of aucubin (AU), an iridoid compound, focusing on its ability to scavenge hydroxyl radicals (•OH) through its hydroxyl functional groups.
Kunzhe Jiang +6 more
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Free energy and enthalpy data of neutral and protonated clusters in the solvent phase
Data in Brief, 2021 Structures of neutral and protonated acetonitrile in the solvent phase are important to describe proton behavior and to calculate thermodynamic quantities related to the solvation of ions or molecules in acetonitrile.
Alhadji Malloum, Jeanet Conradie
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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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Molecules, 2021 In the present work, the thermochemistry of solution, solvation, and hydrogen bonding of cyclic amides in proton acceptor (B) and proton donor (RXH) solvents were studied. The infinite dilution solution enthalpies of δ-valerolactam, N-methylvalerolactam,
Ilnaz T. Rakipov +5 more
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