Browsing by Subject "water"
Now showing items 1-20 of 38
-
Article
Aerial Oxidation of a VIV-Iminopyridine Hydroquinonate Complex: A Trap for the VIV-Semiquinonate Radical Intermediate
(2015)The reaction of 2,5-bis[N,N′-bis(2-pyridyl-aminomethyl)aminomethyl]-p-hydroquinone (H2bpymah) with VO2+ salts in acetonitrile or water at a low pH (2.2-3.5) results in the isolation of [VIV(O)(Cl)2(μ-bpymah)], the ...
-
Article
Aerial Oxidation of a VIV-Iminopyridine Hydroquinonate Complex: A Trap for the VIV-Semiquinonate Radical Intermediate
(2015)The reaction of 2,5-bis[N,N′-bis(2-pyridyl-aminomethyl)aminomethyl]-p-hydroquinone (H2bpymah) with VO2+ salts in acetonitrile or water at a low pH (2.2-3.5) results in the isolation of [{VIV(O)(Cl)}2(μ-bpymah)], the ...
-
Article
Analysis of binding parameters of HIV-1 integrase inhibitors: Correlates of drug inhibition and resistance
(2009)This study undertook an exploratory data analysis of the binding parameters of HIV-1 integrase inhibitors. The study group involved inhibitors in preclinical development from the diketo acid, pyrroloquinoline and naphthyridine ...
-
Article
Analysis of binding parameters of HIV-1 integrase inhibitors: Correlates of drug inhibition and resistance
(2009)This study undertook an exploratory data analysis of the binding parameters of HIV-1 integrase inhibitors. The study group involved inhibitors in preclinical development from the diketo acid, pyrroloquinoline and naphthyridine ...
-
Article
Analysis of binding parameters of HIV-1 integrase inhibitors: Correlates of drug inhibition and resistance
(2009)This study undertook an exploratory data analysis of the binding parameters of HIV-1 integrase inhibitors. The study group involved inhibitors in preclinical development from the diketo acid, pyrroloquinoline and naphthyridine ...
-
Article
Attraction of iodide ions by the free water surface, revealed by simulations with a polarizable force field based on drude oscillators
(2005)Recent theoretical and experimental studies have shown that polarizable anions, such as iodide and bromide, preferentially accumulate close to the surface of electrolyte solutions. This finding is in sharp contrast to the ...
-
Article
Charge transfer in dynamical biosystems, or the treachery of (static) images
(2015)ConspectusThe image is not the thing. Just as a pipe rendered in an oil painting cannot be smoked, quantum mechanical coupling pathways rendered on LCDs do not convey electrons. The aim of this Account is to examine some ...
-
Article
Conformational analysis of compstatin analogues with molecular dynamics simulations in explicit water
(2007)The cyclic 13-residue peptide compstatin is a potential therapeutic agent against the unregulated activation of the complement system. A thorough knowledge of its structural and dynamical properties in solution may assist ...
-
Article
The conversion of 2-(4-chloro-5H-1,2,3-dithiazolylideneamino)benzonitriles into 3-aminoindole-2-carbonitriles using triphenylphosphine
(2009)2-(4-Chloro-5H-1,2,3-dithiazolylideneamino)benzonitrile 1a reacts with triphenylphosphine (4 equiv) in the presence of water (2 equiv) to afford anthranilonitrile 2a, 3-aminoindole-2-carbonitrile 3a and (2-cyanoindol-3-y ...
-
Article
Covalent amphiphilic polymer networks
(2003)The recent literature on chemically cross-linked amphiphilic polymer networks is reviewed. The main subjects covered are network synthesis, characterization, modeling and applications. Special mention is made to more modern ...
-
Article
Development of a capillary electrophoresis-mass spectrometry method for the determination of rivastigmine in human plasma - Optimization of the limits of detection and quantitation
(2012)A capillary zone electrophoresis-electrospray ionization-mass spectrometry (CZE-ESI-MS) method was developed for the analysis of the acetylcholinesterase inhibitor rivastigmine. Several electrophoretic and ESI-MS parameters ...
-
Article
Effects of sol-gel synthesis on 5Fe-15Mn-40Zn-40Ti-O mixed oxide structure and its H2S removal efficiency from industrial gas streams
(2009)A novel Fe-Mn-Zn-Ti-O mixed metal oxide has been developed for efficient low-temperature (25-50°C) removal of H2S from a gas mixture containing 600 ppm H2S, 25 vol% H2, 7.5 vol % CO 2, and 1-3 vol% H2O that simulates typical ...
-
Article
Helix formation by alanine-based peptides in pure water and electrolyte solutions: Insights from molecular dynamics simulations
(2013)Specific ion effects on oligopeptide conformations in solution are attracting strong research attention, because of their impact on the protein-folding problem and on several important biological-biotechnological applications. ...
-
Article
Helix formation by alanine-based peptides in pure water and electrolyte solutions: Insights from molecular dynamics simulationsAAA
(2013)Specific ion effects on oligopeptide conformations in solution are attracting strong research attention, because of their impact on the protein-folding problem and on several important biological-biotechnological applications. ...
-
Article
Influence of nanoreactor environment and substrate location on the activity of horseradish peroxidase in olive oil based water-in-oil microemulsions
(2011)Oxidative enzymatic reactions using horseradish peroxidase (HRP) were carried out in water-in-oil (w/o) microemulsions composed of olive oil/lecithin/1-propanol/water, a model biomimetic system. The substrates used (gallic ...
-
Article
Instrumentation for the monitoring of toxic pollutants in water resources by means of neural network analysis of absorption and fluorescence spectra
(2007)The concentration of several pollutants, usually present in industrial waste waters, is predicted by the neural network data processing of absorption and fluorescence measurements in the visible spectral range. Proper ...
-
Article
The ion-lipid battle for hydration water and interfacial sites at soft-matter interfaces
(2014)At charged surfaces "bound" ions reduce the repulsive electrostatic forces, while dissociated ions control the osmotic pressure in colloidal systems. For systems charged through ionic adsorption on the other hand, the ...
-
Article
Is vanadate reduced by thiols under biological conditions? Changing the Redox potential of V(V)/V(IV) by complexation in aqueous solution
(2010)Although dogma states that vanadate is readily reduced by glutathione, cysteine, and other thiols, there are several examples documenting that vanadium(V)-sulfur complexes can form and be observed. This conundrum has ...
-
Article
Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: The role of water molecules examined
(2011)With an aim toward glycogenolysis control in Type 2 diabetes, we have investigated via kinetic experiments and computation the potential of indirubin (IC 50 > 50 μM), indirubin-3'-oxime (IC 50 = 144 nM), KT5720 (K i = 18.4 ...
-
Article
Manganese citrate chemistry: Syntheses, spectroscopic studies, and structural characterizations of novel mononuclear, water-soluble manganese citrate complexes
(2000)The first two mononuclear manganese citrate complexes, (NH4)4[Mn(II)(C6H5O7)2] (1) and (NH4)5[Mn(III)(C6H4O7)2]·2H2O (2) were synthesized in aqueous solutions near physiological pH values. They were isolated in their pure ...