Results 11 to 20 of about 368,867 (264)
Universal parameters of bulk-solvent masks [PDF]
Acta Crystallographica Section A Foundations and AdvancesThe bulk solvent is a major component of biomacromolecular crystals that contributes significantly to the observed diffraction intensities. Accurate modelling of the bulk solvent has been recognized as important for many crystallographic calculations. Owing to its simplicity and modelling power, the flat (mask-based) bulk-solvent model is used by most ...
Alexandre Urzhumtsev +2 more
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Liquid-Phase Exfoliation of Biochars in Green Solvents and Correlation with Solvent Parameters [PDF]
, 2021 Liquid-phase exfoliation (LPE) is a process frequently used to overcome the interactions between layers in layered materials to produce small sheets of material, with remarkable properties and high value applications. Materials are prepared via direct or indirect sonication in a solvent that must be able to effectively disperse and stabilize the sheets
Juliana Vidal +5 more
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Individual tuning of solvent parameters – from organic solvents to ionic liquids
Journal of Molecular Liquids, 2021 Abstract For more than 20 years, we have investigated electron transfer reactions of various types and under various conditions. According to the Marcus theory, solvent parameters have a significant influence on the observed kinetics. Temperature-dependent measurements, such as those used to obtain activation parameters, are especially strongly ...
Alexander Wankmüller +2 more
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Investigation of Parameters that Affect Resin Swelling in Green Solvents [PDF]
ChemistryOpen, 2020 AbstractThe influence of various physical and chemical factors on the swelling of polystyrene and PEG based resins in greener organic solvents has been systematically investigated. In general, chemical factors: the nature of the functionality/linker and the degree of loading were found to have a far larger influence on the swelling of the resins than ...
Amadi-Kamalu, Chidi +10 more
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Ionic-interaction of aqueous and alcoholic poly(vinyl alcohol) in the presence of protons [PDF]
Journal of the Serbian Chemical Society, 2019 The ionic-interactions of acetic acid in H2O-PVOH and H2O-Alcohol-PVOH solvent systems were studied at different temperatures by viscosity method. The viscosities of the poly(vinyl alcohol) were increased with the increase in the concentration ...
Naz Saima, Saeed Rehana
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Parameter Choice Matters: Validating Probe Parameters for Use in Mixed-Solvent Simulations [PDF]
Journal of Chemical Information and Modeling, 2014 Probe mapping is a common approach for identifying potential binding sites in structure-based drug design; however, it typically relies on energy minimizations of probes in the gas phase and a static protein structure. The mixed-solvent molecular dynamics (MixMD) approach was recently developed to account for full protein flexibility and solvation ...
Katrina W. Lexa +2 more
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Investigations of the reactivity of pyridine carboxylic acids with diazodiphenylmethane in protic and aprotic solvents. [PDF]
Journal of the Serbian Chemical Society, 2005 Rate constants for the reaction of diazodiphenylmethane with isomeric pyridine carboxylic acids were determined in chosen protic and aprotic solvents at 30 °C, using the well known UV spectrophotometric method.
ALEKSANDAR D. MARINKOVIC +3 more
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Organic solvents in electromembrane extraction: recent insights
Reviews in Analytical Chemistry, 2016 Electromembrane extraction (EME) was invented in 2006 as a miniaturized sample preparation technique for the separation of ionized species from aqueous samples.
Huang Chuixiu +2 more
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High-Precision Solvent Vapor Annealing for Block Copolymer Thin Films
Micromachines, 2018 Despite its efficacy in producing well-ordered, periodic nanostructures, the intricate role multiple parameters play in solvent vapor annealing has not been fully established.
Gunnar Nelson +5 more
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Flat bulk-solvent model: obtaining optimal parameters [PDF]
Acta Crystallographica Section D Biological Crystallography, 2002 A bulk-solvent correction is regularly used for macromolecular refinement. The flat model of the bulk solvent is considered to be the most reliable. It is shown that the standard procedure does not always result in the optimal values of the bulk-solvent correction parameters.
Andrei, Fokine, Alexandre, Urzhumtsev
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