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Metal-ion effects on the polarization of metal-bound water and infrared vibrational modes of the coordinated metal center of Mycobacterium tuberculosis pyrazinamidase via quantum mechanical calculations
(American Chemical Society, 2014)
Mycobacterium tuberculosis pyrazinamidase (PZAse) is a key enzyme to activate the pro-drug pyrazinamide (PZA). PZAse is a metalloenzyme that coordinates in vitro different divalent metal cofactors in the metal coordination ...
Solvent effect on a model SNAr reaction in ionic liquid/water mixtures at different compositions
(Royal Society of Chemistry, 2018)
The reaction of phenyl 2,4,6-trinitrophenyl ether and piperidine was kinetically evaluated in BMIMBF4/water mixtures as the reaction media. This study shows the dramatic effect of the mixture composition on the reacting ...
Hydrochemical evaluation of bottled mineral waters and spring at Corumbataí city, São Paulo State, Brazil
(2012-10-31)
This investigation was carried out within São Paulo State, Brazil, and involved the sampling of well-known mineral bottled waters for performing a comparative hydrochemical study and of a spring occurring at Corumbataí ...
Hydrochemical evaluation of bottled mineral waters and spring at Corumbataí city, São Paulo State, Brazil
(2012-10-31)
This investigation was carried out within São Paulo State, Brazil, and involved the sampling of well-known mineral bottled waters for performing a comparative hydrochemical study and of a spring occurring at Corumbataí ...
Experimental and chemometric strategies for the development of Green Analytical Chemistry (GAC) spectroscopic methods for the determination of organic pollutants in natural waters
(Elsevier Science, 2016-12)
The development of Green Analytical Chemistry (GAC) methods is one of the most active areas of Green Chemistry. Especially relevant are GAC methods devoted to the detection and quantification of environmental pollutants, ...
Specific nucleophile–electrophile interactions in nucleophilic aromatic substitutions
(Royal Society of Chemistry, 2013)
We herein report results obtained from an integrated experimental and theoretical study on aromatic nucleophilic substitution (S(N)Ar) reactions of a series of amines towards 1-fluoro-2,4-dinitrobenzene in water. Specific ...
Specific nucleophile–electrophile interactions in nucleophilic aromatic substitutions
(Royal Society of Chemistry, 2013)
We herein report results obtained from an integrated experimental and theoretical study on aromatic nucleophilic substitution (S(N)Ar) reactions of a series of amines towards 1-fluoro-2,4-dinitrobenzene in water. Specific ...