The Thermodynamic Dissociation Constants of Four Non-steroidal Anti-inflammatory Drugs by the Least-squares Nonlinear Regression of Multiwavelength Spectrophotometric pH-titration Data

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F07%3A00006014" target="_blank" >RIV/00216275:25310/07:00006014 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

The Thermodynamic Dissociation Constants of Four Non-steroidal Anti-inflammatory Drugs by the Least-squares Nonlinear Regression of Multiwavelength Spectrophotometric pH-titration Data

Original language description

The mixed dissociation constants of four non-steroidal anti-inflammatory drugs (NSAIDs) ibuprofen, diclofenac sodium, flurbiprofen and ketoprofen at various ionic strengths I of range 0.003 and 0.155, and at temperatures of 25oC and 37oC, were determinedwith the use of two different multiwavelength and multivariate treatments of spectral data, SPECFIT/32 and SQUAD(84) nonlinear regression analyses and INDICES factor analysis. The factor analysis in the INDICES program predicts the correct number of components, and even the presence of minor ones, when the data quality is high and the instrumental error is known. The thermodynamic dissociation constant pKaT was estimated by nonlinear regression of {pKa, I} data at 25oC and 37oC. Goodness-of-fit tests for various regression diagnostics enabled the reliability of the parameter estimates found to be proven. PALLAS, MARVIN, SPARC, ACD/pKa and Pharma Algorithms predict pKa being based on the structural formulae of drug compounds in agreemen

Czech name

Termodynamické disociační konstanty čtyř nesteroidních protizánětlivých léčiv nelineární regresí pH-spekter

Czech description

Smíšené disociační konstanty čtyř nesteroidních protizánětlivých léčiv (NSAID) ibuprofen, diclofenac sodný, flurbiprofen a ketoprofen při rozličných iontových silách I v rozmezí 0.003 and 0.155, a při teplotě 25oC a 37oC byly stanoveny spektrofotometricky programem SQUAD a SPECFIT32. Počet světlo-absorbujících částic byl odhadnut z hodnosti absorbanční matice programem INDICES. Věrohodnost odhadů pK byla posuzována na základě dosažené těsnosti regresního proložení. Nalezené hodnoty byly v dobré shodě spředikovanými ze struktury molekul programy PALLAS, MARVIN, SPARC, ACD/pKa a Pharma Algorithms.

Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CB - Analytical chemistry, separation

OECD FORD branch

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Project

<a href="/en/project/NR9055" target="_blank" >NR9055: Influence of smoking and its cessation on endocrine system</a><br>

Continuities

Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2007

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Pharmaceutical and Biomedical Analysis

ISSN

0731-7085

e-ISSN

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Volume of the periodical

45

Issue of the periodical within the volume

4

Country of publishing house

GB - UNITED KINGDOM

Number of pages

13

Pages from-to

552-564

UT code for WoS article

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EID of the result in the Scopus database

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