Results 11 to 20 of about 136,748 (262)
A model for specific interactions of manganese-phthalocyanine in protic media
Eclética Química, 2018 Extinction coefficients (e) changes of manganese phthalocyanine (Mn-Pc) were studied in different organic solvents and related to solvent polarity scales (Kosower's values (Z), Dimroth's values (ET), donor numbers (DN) and linear solvation energy ...
Nadir Ana WIEDERKEHR
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Solvatochromism of isatin based Schiff bases: An LSER and LFER study [PDF]
Journal of the Serbian Chemical Society, 2016 The derivatives of isatin have already been reported to show a variety of biological activities. However, there has been no report on solvatochromic effect of isatin derivatives so far, and that could be of interest to study and relate to their ...
Brkić Dominik R. +6 more
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Molecules, 2023 The mechanisms of sulfoxidation and epoxidation mediated by previously synthesized and characterized iron(III)-iodosylbenzene adduct, FeIII(OIPh) were investigated using para-substituted thioanisole and styrene derivatives as model substrates.
Patrik Török +2 more
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Molecules, 2019 Thermal stabilities of DNA duplexes containing Gua (g), α- (a) or β-anomer of formamidopyrimidine-N7-9-hydroxy-aflatoxin B1 (b) differ markedly (Tm: a < g < b ), but the underlying molecular origin of this experimentally observed ...
Martin Klvana, Urban Bren
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Equilibrium constants and protonation site for N-methylbenzenesulfonamides
Beilstein Journal of Organic Chemistry, 2011 The protonation equilibria of four substituted N-methylbenzenesulfonamides, X-MBS: X = 4-MeO (3a), 4-Me (3b), 4-Cl (3c) and 4-NO2 (3d), in aqueous sulfuric acid were studied at 25 °C by UV–vis spectroscopy.
José A. Moreira +3 more
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Determining the orientation of protegrin-1 in DLPC bilayers using an implicit solvent-membrane model. [PDF]
PLoS ONE, 2009 Continuum models that describe the effects of solvent and biological membrane molecules on the structure and behavior of antimicrobial peptides, holds a promise to improve our understanding of the mechanisms of antimicrobial action of these peptides.
Abdallah Sayyed-Ahmad +1 more
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Linear free energy relationships in halogen bonds [PDF]
CrystEngComm, 2013 Four models of halogen bonds were used to quantify this bond using the DFT B97D/6-311+G(d) computational level: para-substituted iodobenzenes, para- and meta-substituted bromobenzenes complexed with three simple Lewis bases (NH 3, NCH and CNH), 1-bromo-4-substituted-bicyclo[2.2.2]octanes with NH3 and 3- and 4-substituted pyridines complexed with BrCl ...
Alkorta, I. +2 more
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Linear Free Energy Relationships in Glass Corrosion [PDF]
MRS Proceedings, 1988 AbstractVarious theoretical models that have been proposed to correlate glass durability to their composition for a wide variety of silicate, borosilicate, and aluminosilicate glasses are examined. Comparisons are made between the predictions of these models and those of an empirical formulation extracted from existing data in the present work.
Abrajano, T. A., Jr. +2 more
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The Scientific World Journal, 2002 An extensive survey of molecular binding interactions and parameters used in QSARs is reported, which includes consideration of lipophilicity and the derivation of Linear Free Energy Relationships associated with drug-receptor binding, together with an ...
David F.V. Lewis, Howard B. Broughton
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Beilstein Journal of Organic Chemistry, 2012 We used dynamic 1H NMR spectroscopic methods to examine the kinetics and thermodynamics of CH3CCl3 (2) entering and leaving the gated molecular basket 1.
Keith Hermann +5 more
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