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2013 | 11 | 2 | 271-279
Tytuł artykułu

Thermodynamic protonation constants of vardenafil by the nonlinear regression of multiwavelength pH-spectrophotometric titration data

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
pH-spectrophotometric titration data were used to determine protonation constants of vardenafil at different ionic strengths I and temperatures of 25°C and 37°C. The use of two different multiwavelength and the multivariate treatment of spectral data, SPECFIT32 and SQUAD(84) nonlinear regression analyses and INDICES factor analysis is presented. The reliability of the protonation constants of the drug was proven with goodness-of-fit tests of the pH-spectra. The thermodynamic protonation constants log K Ti were estimated by a nonlinear regression of (log K, I) data using the Debye-Hückel equation, yielding log K 4T = 3.59(1) and 3.26(1), log K 3T = 5.64(1) and 5.81(1), log K 2T = 9.41(1) and 8.59(2), log K 1T = 10.92(2) and 10.05(1) at 25°C and 37°C, where the figure in brackets is the standard deviation in last significant digit. Concurrently, the experimental determination of four thermodynamic protonation constants was combined with the computational prediction of the MARVIN program based on knowledge of the chemical structures of the drug and was in good agreement with its experimental value. The factor analysis of spectra in the INDICES program predicts the correct number of light-absorbing components when the instrument error is known and when the signal-to-error ratio SER is higher than 10. [...]
Wydawca

Czasopismo
Rocznik
Tom
11
Numer
2
Strony
271-279
Opis fizyczny
Daty
wydano
2013-02-01
online
2012-11-29
Twórcy
autor
  • Department of Analytical Chemistry, University of Pardubice, CZ 532 10, Pardubice, Czech Republic, milan.meloun@upce.cz
  • Department of Analytical Chemistry, University of Pardubice, CZ 532 10, Pardubice, Czech Republic
  • Department of Analytical Chemistry, University of Pardubice, CZ 532 10, Pardubice, Czech Republic
  • Zentiva k.s., CZ 102 37, Prague, Czech Republic
Bibliografia
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11532-012-0150-y
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