E. A. L. Macedo

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Highlights ► We modify OPLS force field to describe mixture. ► We calculated Gibbs free energy by thermodynamic integration method. ► We investigate the stability of mixture. ► We predict mutual solubility by double tangent method. The liquid–liquid equilibria for low pH aqueous acid solution + tri-octylamine (or tri-butylphosphate) + 1-decane and the(More)
A kinetic model based on Michaelis-Menten equation was developed to simulate the dye decolourisation of Reactive Black 5 (RB5), Reactive Blue 114 (RB114), Reactive Yellow 15 (RY15), Reactive Red 239 (RR239) and Reactive Red 180 (RR180) dyes by commercial laccase. The unusual kinetic behavior of some of these reactions suggests that the kinetic model must(More)
A three-level Box-Behnken factorial design with three factors and the Response Surface Methodology were used to optimise the colour removal of the reactive textile dye, Colour Index (C.I.) reactive red 180, by commercial laccase. A mathematical model was developed to study the effect of temperature, pH, enzyme concentration and their interactions on the(More)
Distribution coefficients of randomly selected proteins were measured in aqueous two-phase systems (ATPSs) formed by different combinations of Dextran-75 (Dex), Ficoll-70, polyethylene glycol-8000 (PEG), hydroxypropyl starch-100 (PES), and Ucon50HB5100 (Ucon, a random copolymer of ethylene glycol and propylene glycol) at particular polymer concentrations,(More)
Three-level Box-Behnken factorial design with three factors (pH, temperature and enzyme concentration) combined with response surface methodology (RSM) was applied to optimize the dye degradation of reactive red 239 (RR239), reactive yellow 15 (RY15) and reactive blue 114 (RB114) dyes by commercial laccase. Mathematical models were developed for each dye(More)
Biocatalytic treatment of a synthetic dye house effluent, simulating a textile wastewater containing various reactive dyestuffs (Reactive Yellow 15, Reactive Red 239 and Reactive Black 5) and auxiliary chemicals, was investigated in a batch reactor using a commercial laccase. A high decolourisation (above 86%) was achieved at the maximum wavelength of(More)
The activity and stability of laccase and their kinetic mechanisms in water soluble ionic liquids (ILs): 1-butyl-3-methyl imidazolium chloride [C(4)mim][Cl], 1-octyl-3-methyl imidazolium chloride [C(8)mim][Cl], and 1-decyl-3-methyl imidazolium chloride [C(10)mim][Cl] were investigated. The results show that an IL concentration up to 10% is satisfactory for(More)
In this work, pure solvent solubilities of drugs, such as paracetamol, allopurinol, furosemide and budesonide, measured in the temperature range between 298.2-315.2K are presented. The solvents under study were water, ethanol, acetone, ethyl acetate, carbon tetrachloride and n-hexane. Measurements were performed using the shake-flask method for generating(More)
The 1-octanol/water partition coefficient is an important thermodynamic variable usually employed to understand and quantify the partitioning of solutes between aqueous and organic phases. It finds widespread use in many empirical correlations to evaluate the environmental fate of pollutants as well as in the design of pharmaceuticals. The experimental(More)
Degradation of a mixture of three reactive textile dyes (Reactive Black 5, Reactive Yellow 15 and Reactive Red 239), simulating a real textile effluent, by commercial laccase, was investigated in a batch reactor. The discoloration was appraised as a percentage of the absorbance reduction at the wavelength of maximum absorbance for each dye and as total(More)