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Betanidin p KaPrediction Using DFT Methods
(American Chemical Society, 2020-06)
Betalains can be used in food, drugs, and cosmetic industries and have shown their bioactive potential. These properties are strongly influenced by pH and other physicochemical conditions. The pKa values for the polyprotic ...
Estimativa dos pKa da Rutina empregando modelos semi-empíricos de cálculo mecânico-quântico
(Universidade Federal de UberlândiaBRPrograma de Pós-graduação em QuímicaCiências Exatas e da TerraUFU, 2016)
Coupled molecular dynamics and continuum electrostatic method to compute the ionization pKa’s of proteins as a function of pH. Test on a large set of proteins
(Adenine Press, 2018-02-24)
A computational method, to predict the pKa values of the ionizable residues Asp, Glu, His, Tyr, and Lys of proteins, is presented here. Calculation of the electrostatic free-energy of the proteins is based on an efficient ...
A new species and new records of Gymnopilus from India
(2003)
A new terrestrial species of Gymnopilus, G. terricola, is proposed. G. bryophilus, previously known only from Jamaica, is recorded for first time from India, and G. dilepis is recorded from a new locality.
Automatized sspKa measurements of dihydrogen phosphate and Tris(hydroxymethyl) aminomethane in acetonitrile/water mixtures from 20 to 60 ºC
(Elsevier Science, 2014-09)
We measured pKa values of Tris(hydroxymethyl)aminomethane and dihydrogen phosphate; both are commonly used to prepare buffers for reverse-phase liquid chromatography (RPLC), in acetonitrile/water mixtures from 0% to 70% ...
Determination of the pKa value of phenolphthalein by means of absorbance measurements
(Scientific Research, 2010-09)
We here report a laboratory protocol for the determination of the pKa value of an acid by means of determinations obtained with a spectrophotometer. Students determine the acidity constant (Ka) and the pKa associated with ...
Acid diterpenes from Copaiba oleoresin (Copaifera langsdorffii): Chemical and plasma stability and intestinal permeability using Caco-2 cells
(2019-05-10)
Ethnopharmacological relevance: Copaiba oleoresin has been used in folk medicine in the treatment of bronchitis, syphilis, skin diseases and ulcers due to its anti-inflammatory and antiseptic activities, but there is no ...