Thermodynamic dissociation constants of risedronate using spectrophotometric and potentiometric pH-titration View Full Text


Ontology type: schema:ScholarlyArticle      Open Access: True


Article Info

DATE

2012-04

AUTHORS

Milan Meloun, Zuzana Ferenčíková, Hana Málková, Tomáš Pekárek

ABSTRACT

Risedronate inhibits bone resorption in diseases like osteoporosis, Paget’s disease, tumor bone diseases or the malfunction of phosphocalcium metabolism. The acid-base properties of risedronate in an aqueous solution have been studied in a pH range from 2 to 12 and can be described in terms of four dissociation steps: pKa,2, pKa,4, pKa,5 (related to the dissociation of POH groups) and pKa,3 related to the dissociation of protonated amino group NH3+. The mixed dissociation constants were determined at different ionic strengths I = 0.02 to 0.20 mol dm−3 KCl and of 25°C and 37°C using pH-spectrophotometric and pH-potentiometric titration methods. Determination of group parameters L0, HT might lead to false estimates of common parameterspKa;therefore, the computational strategy employed is important. A comparison between the two programs ESAB and HYPERQUAD demonstrated that the ESAB program provides a better fit of potentiometric titration curve. The thermodynamic dissociation constants pKaT were estimated by a nonlinear regression of (pKa, I) data and a Debye-Hückel equation at 25°C and 37°C, pKa,2T = 2.37(1) and 2.44(1), pKa,3T = 6.29(3) and 6.26(1), pKa,4T = 7.48(1) and 7.46(2) and pKa,5T = 9.31(7) and 8.70(3) at 25°C and 37°C using pH-spectroscopic data and pKa,2T = 2.48(3) and 2.43(1), pKa,3T= 6.12(2) and 6.10(2), pKa,4T = 7.25(2) and 7.23(1) and pKa,5T = 12.04(5) and 11.81(2) at 25°C and 37°C. The ascertained estimates of three dissociation constants pKa,3, pKa,4, pKa,5 are in agreement with the predicted values obtained using PALLAS More... »

PAGES

338-353

Identifiers

URI

http://scigraph.springernature.com/pub.10.2478/s11532-011-0150-3

DOI

http://dx.doi.org/10.2478/s11532-011-0150-3

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1000342038


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42 schema:description Risedronate inhibits bone resorption in diseases like osteoporosis, Paget’s disease, tumor bone diseases or the malfunction of phosphocalcium metabolism. The acid-base properties of risedronate in an aqueous solution have been studied in a pH range from 2 to 12 and can be described in terms of four dissociation steps: pKa,2, pKa,4, pKa,5 (related to the dissociation of POH groups) and pKa,3 related to the dissociation of protonated amino group NH3+. The mixed dissociation constants were determined at different ionic strengths I = 0.02 to 0.20 mol dm−3 KCl and of 25°C and 37°C using pH-spectrophotometric and pH-potentiometric titration methods. Determination of group parameters L0, HT might lead to false estimates of common parameterspKa;therefore, the computational strategy employed is important. A comparison between the two programs ESAB and HYPERQUAD demonstrated that the ESAB program provides a better fit of potentiometric titration curve. The thermodynamic dissociation constants pKaT were estimated by a nonlinear regression of (pKa, I) data and a Debye-Hückel equation at 25°C and 37°C, pKa,2T = 2.37(1) and 2.44(1), pKa,3T = 6.29(3) and 6.26(1), pKa,4T = 7.48(1) and 7.46(2) and pKa,5T = 9.31(7) and 8.70(3) at 25°C and 37°C using pH-spectroscopic data and pKa,2T = 2.48(3) and 2.43(1), pKa,3T= 6.12(2) and 6.10(2), pKa,4T = 7.25(2) and 7.23(1) and pKa,5T = 12.04(5) and 11.81(2) at 25°C and 37°C. The ascertained estimates of three dissociation constants pKa,3, pKa,4, pKa,5 are in agreement with the predicted values obtained using PALLAS
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