Multi-wavelength spectrophotometric determination of acid dissociation constants: A validation study

Kin Y. Tam, K. Takács-Novák

Research output: Contribution to journalArticle

119 Citations (Scopus)

Abstract

The pKa values of 25 structurally diverse drug compounds including mono-, di- and tri-protic molecules were determined by a recently developed multi-wavelength spectrophotometric technique, called dip-probe absorption spectroscopy (D-PAS), and the traditional spectrophotometric titration. All experiments were performed at 25.0 ± 0.5°C in an ionic strength of 0.15 M KCl in two laboratories (Semmelweis and Sirius), to evaluate the reproducibility and reliability of the spectrophotometric techniques for pKa determination. It was found that the pKa values determined by the D-PAS technique are in excellent agreement with values measured by the traditional spectrophotometric method (average deviation = 0.08 units) and are consistent with the literature data where available. We have demonstrated that the D-PAS approach is a simple, precise and easy-to-use method for pKa determination of drug molecules with ionisable group(s) in proximity to chromophore(s). The advantages and limitations of spectrophotometric pKa determination are discussed

Original languageEnglish
Pages (from-to)157-167
Number of pages11
JournalAnalytica Chimica Acta
Volume434
Issue number1
DOIs
Publication statusPublished - Apr 25 2001

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Validation Studies
atomic absorption spectroscopy
Absorption spectroscopy
dip
Spectrum Analysis
probe
wavelength
Wavelength
Acids
acid
drug
Molecules
Chromophores
Ionic strength
Titration
Pharmaceutical Preparations
Osmolar Concentration
experiment
Experiments
method

Keywords

  • Acid dissociation
  • Dip-probe absorption spectroscopy (D-PAS)
  • Spectrophotometric titration

ASJC Scopus subject areas

  • Biochemistry
  • Analytical Chemistry
  • Spectroscopy
  • Environmental Chemistry

Cite this

Multi-wavelength spectrophotometric determination of acid dissociation constants : A validation study. / Tam, Kin Y.; Takács-Novák, K.

In: Analytica Chimica Acta, Vol. 434, No. 1, 25.04.2001, p. 157-167.

Research output: Contribution to journalArticle

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