Antioxidants, 2022 Garlic (Allium sativum L.) is widely used in the human diet and in scientific research due to its biological properties. Various factors, e.g., temperature, pressure, extraction method, type of solvent, size, and territorial origin of garlic, affect the ...
Monika Bar +2 more
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Solvation Free Energies in Subsystem Density Functional Theory [PDF]
, 2021 For many chemical processes the accurate description of solvent effects are vitally important. Here, we describe a hybrid ansatz for the explicit quantum mechanical description of solute-solvent and solvent-solvent interactions based on subsystem density functional theory and continuum solvation schemes.
arxiv +1 more source
Optimization of a new extraction technique for analysis of verbenone and cis-verbenol in pine seeds [PDF]
, 2007 Results from a systematic study of the factors affecting extraction of cis-verbenol and verbenone from pine seeds are presented. Five extraction conditions were investigated: extraction solvent, method of extraction, extraction temperature, volume of ...
Fernández Barbero, Gerardo +3 more
core +2 more sources
Impact of limited solvent capacity on metabolic rate, enzyme activities, and metabolite concentrations of S. cerevisiae glycolysis [PDF]
, 2008 The cell's cytoplasm is crowded by its various molecular components, resulting in a limited solvent capacity for the allocation of new proteins, thus constraining various cellular processes such as metabolism.
Barabási, AL +3 more
core +1 more source
Solvent Effects on the Menshutkin Reaction [PDF]
arXiv, 2021 The Menshutkin reaction is a methyl transfer reaction relevant in fields ranging from biochemistry to chemical synthesis. In the present work, energetics and solvent distributions for NH$_{3}$+MeCl and Pyr+MeBr reactions were investigated in the gas-phase, in water, methanol, acetonitrile, benzene, and in cyclohexane by means of reactive molecular ...
arxiv
Interfacial Phenomena of Solvent-diluted Block Copolymers [PDF]
Macromolecules 47, 460 (2014), 2013 A phenomenological mean-field theory is used to investigate the properties of solvent-diluted di-block copolymers (BCP), in which the two BCP components (A and B) form a variety of phases that are diluted by a solvent (S). Using this approach, we model mixtures of di-block copolymers and a solvent and obtained the corresponding critical behavior.
arxiv +1 more source
Enhanced Lycopene Extraction from Tomato Peels by Optimized Mixed-Polarity Solvent Mixtures
Molecules, 2020 Mounting evidence from clinical and epidemiological studies suggests that lycopene, the most abundant carotenoid in tomatoes, may be beneficial in the prevention or treatment of some important diseases.
Antonio Zuorro
doaj +1 more source
Modeling the absorption spectrum of the permanganate ion in vacuum and in aqueous solution [PDF]
, 2017 The absorption spectrum of the MnO$_{4}$$^{-}$ ion has been a test-bed for quantum-chemical methods over the last decades. Its correct description requires highly-correlated multiconfigurational methods, which are incompatible with the inclusion of ...
Hedegård, Erik Donovan +1 more
core +2 more sources
Implicit Solvation Using the Superposition Approximation (IS-SPA): Extension to Polar Solutes in Chloroform [PDF]
, 2020 Efficient, accurate, and adaptable implicit solvent models remain a significant challenge in the field of molecular simulation. A recent implicit solvent model, IS-SPA, based on approximating the mean solvent force using the superposition approximation, provides a platform to achieve these goals.
arxiv +1 more source
Evaluation of silymarin extraction from Silybum marianum (L.) Gaertn seeds by water [PDF]
فیزیولوژی محیطی گیاهی, 2008 The seeds extract of Silybum marianum (L.) Gaertn is named silymarin and used in treatment of liver diseases, diabetes (II) and hypercholesterolemia.
ف Hasanloo, r Sepehrifar
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