Login for students

Login for employees

Publication detail

Reliability of Dissociation Constants and Resolution Capability of SQUAD(84) and SPECFIT/32 in the Regression of Multiwavelength Spectrophotometric pH-titration Data
Authors: Meloun Milan | Ferenčíková Zuzana | Javůrek Milan
Year: 2012
Type of publication: článek v odborném periodiku
Name of source: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Publisher name: Pergamon-Elsevier Science Ltd.
Place: Oxford
Page from-to: 305-314
Titles:
Language Name Abstract Keywords
cze Spolehlivost disociačních konstant a rozlišovací schopnost programů SQUAD(84) a SPECFIT/32 v regresi pH-spekter Věrohodnost konstant stability a molárních abs. koeficientů pěti rozličně protonovaných aniontů fysostigmin salycilátu byla vyšetřována programy SQUAD(84) a SpECFIT/32 na simulovaných a experimentálních datech, která obsahují překrývající se spektrální pásy. Byla vyšetřována správnost a přesnost odhadů pK a epsilon. spektrofotometrická titrace;disocoační konstanty;SPECFIT/32;SQUAD(84);fysostigmin salicylát
eng Reliability of Dissociation Constants and Resolution Capability of SQUAD(84) and SPECFIT/32 in the Regression of Multiwavelength Spectrophotometric pH-titration Data The resolving power of multicomponent spectral analysis and the computation reliability of the stability constants and molar absorptivities determined for five variously protonated anions of physostigmine salicylate by the SQUAD(84) and SPECFIT/32 programs has been examined with the use of simulated and experimental spectra containing overlapping spectral bands. Precision was examined as the linear regression model s(pK) = ˇ0 + ˇ1 sinst(A). In all cases the intercept ˇ0 was statistically insignificant. When an instrumental error sinst(A) is small and less than 0.5 mAU, the parameters? estimates are nearly the same as the bias pK = pKa,calc ? pKa,true is quite negligible. In all four dissociation constants the bias seems to be quite small even though for pKa4 it is a little bit higher, i.e., +0.05 for sinst(A) about 1.0 mAU. In the interval of sinst(A) from 0.1 to 1.0 mAU all four dissociation constants pKi are accurate enough. Spectrophotometric titration;Dissociation constant;SPECFIT/32;SQUAD(84);Physostigmine salicylate

Department

Map

en.mapy.cz

Services

Popular Links

© 2023 University of Pardubice, Studentská 95, 532 10 Pardubice 2
Phone: +420 466 036 111, 466 036 112, 466 036 113
Webmaster, RSS
Data box ID: f5vj9hu
Accessibility Statement
CC BY-NC-ND 4.0Creative CommonsAttributionNonCommercialNoDerivatives