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2013 | 11 | 11 | 1799-1807

Article title

Oligomers-model building in protonation equilibria of sitagliptin


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Mixed protonation constants of sitagliptin phosphate at various ionic strengths I (mol kg−1) in range 0.01 and 0.50 and at 298.15 K are determined using FBSTAC4 and HYPERQUAD nonlinear regression analyses of the potentiometric titration curve. At a low concentration c L = 1.1 mmol kg−1 the monomers L, LH, LH2, LH3 and LH4 dominate, while for a concentration range from c L = 13.7 to 24.7 mmol kg−1 dimers L2H2, L2H3, L2H4 and L2H are mainly present. The regression programme has almost no influence on the precision of the protonation constants. The accuracy of the protonation constants log βqr depends on the accuracy of the group parameters. As two group parameters c L,0, c H,T are ill-conditioned in a model, their determination is therefore uncertain: both can significantly cause a systematic error in the estimated common parameters log10βqr . Fitness tests using regression diagnostics have proven the reliability of the parameter estimates. [...]










Physical description


1 - 11 - 2013
25 - 8 - 2013


  • Department of Analytical Chemistry, University of Pardubice, 532 10, Pardubice, Czech Republic
  • Department of Analytical Chemistry, University of Pardubice, 532 10, Pardubice, Czech Republic
  • Department of Analytical Chemistry, University of Pardubice, 532 10, Pardubice, Czech Republic
  • Zentiva k.s., 102 37, Prague 10, Czech Republic


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