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Hydrogen-free homogeneous catalytic reduction of olefins in aqueous solutions
(American Chemical Society, 2008-07)
Herein we report a study involving the homogeneous catalytic reduction ofunsaturated substrates in aqueous solutions or water-organic solvent mixtures. The reduction of olefins has been carried out in the presence of ...
QM-MM investigation of the reaction products between nitroxyl and O2 in aqueous solution
(Elsevier Science, 2008-09)
By means of combined quantum-classical molecular (QM/MM) dynamics simulations, we investigated the structural properties and the vibrational spectra in aqueous solution of four possible intermediate species of the oxidation ...
Self-healable polymer networks based on the cross-linking of epoxidised soybean oil by an aqueous citric acid solution
(Royal Society Of Chemistry, 2013-09-09)
Epoxidised soybean oil (ESO) was cross-linked with an aqueous citric acid (CA) solution without the addition of any other catalyst or solvent. Completely bio-based polymer networks were generated. The initial system was ...
Evaluation of silica as an adsorbent for carbendazim from aqueous solutions
(Engineering Research Publication, 2015-02)
Adsorption of carbendazim onto silica has been studied. The influence of contact time, pH, ionic strength and temperature has been determined. The adsorption isotherms can be described by the Langmuir model. Adsorption ...
Interactions between milk whey protein and polysaccharide in solution
(Elsevier, 2009)
In this work we have studied the interactions between a commercial whey protein concentrate (WPC) and two anionic polysaccharides (sodium alginate, SA, and λ-carrageenan, λ-C) in the aqueous phase. The concentration of WPC ...
Solvation of monoacidic conjugate bases and calculation of acidity constants in aqueous solution
(Trade Science Inc., 2006-05)
With the specific aim of analyzing the interactions of monoacidic conjugate bases with the solvent, equations that describe several reactions and equilibria of ionization were proposed. Furthermore, to prove the validity ...
Theoretical DFT studies on free base, cationic and hydrochloride species of narcotic tramadol agent in gas phase and aqueous solution
(AMG Transcend Association, 2021-02)
Theoretical studies based on the density functional theory (DFT) have been performed to study structural and vibrational properties of the free base, cationic, and hydrochloride species of narcotic tramadol agent in the ...
A Raman, Sers and UV-Circular dichroism spectroscopic study of N-acetyl-L-Cisteine in aqueous solutions
(Royal Society of Chemistry, 2019-08)
The aim of this work is to evaluate the vibrational and structural properties of N-acetyl-L-cysteine (NAC),and its molecular structure and electronic properties in relation to the action of thiol and amine groupsat different ...
Using Polymer Hydrogels for Glyphosate Sequestration from Aqueous Solutions: Molecular Theory Study of Adsorption to Polyallylamine Films
(American Chemical Society, 2018-10)
A molecular theory has been applied to study the equilibrium conditions of glyphosate and aminomethylphosphonic acid (AMPA) adsorption from aqueous solutions to hydrogel films of cross-linked polyallylamine (PAH). This ...
1H NMR characterization of the intermediate formed upon UV-A excitation of biopterin, neopterin and 6-hydroxymethylpterin in O2-free aqueous solutions
(Elsevier Science, 2010-01)
Pterins belong to a family of heterocyclic compounds present in a wide range of living systems and participate in relevant biological functions. Under anaerobic conditions, the unstable red intermediate generated by UV-A ...