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The Thermodynamic Dissociation Constants of the Antidepressant Vortioxetine Using UV-VIS Multiwavelength pH-Titration Data

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F18%3A39913033" target="_blank" >RIV/00216275:25310/18:39913033 - isvavai.cz</a>

  • Result on the web

    <a href="http://dx.doi.org/10.1007/s10953-018-0757-5" target="_blank" >http://dx.doi.org/10.1007/s10953-018-0757-5</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1007/s10953-018-0757-5" target="_blank" >10.1007/s10953-018-0757-5</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    The Thermodynamic Dissociation Constants of the Antidepressant Vortioxetine Using UV-VIS Multiwavelength pH-Titration Data

  • Original language description

    Potentiometric and spectrophotometric pH-titrations of the antidepressant Vortioxetine for dissociation constants determination were compared. Vortioxetine is an atypical antidepressant, i.e. a serotonin modulator and stimulator. It was approved by the U.S. FDA for the treatment of major depressive disorders in adults. Depressive disorders are common mental health conditions thought to be caused by an imbalance in serotonin and norepinephrine in addition to multiple situational, cognitive, and medical factors. A chemometrics approach to nonlinear regression of the pH-spectra (REACTLAB, SQUAD84) and pH-titration (ESAB) determined three dissociation constants. A sparingly soluble neutral molecule LH of Vortioxetine was capable of protonation to form the still soluble three cations LH2+, LH32+ and LH43+ in pure water. In the range of pH 3 to 10 three dissociation constants could be reliably estimated from small changes in spectra of 9.2 × 10-5 M Vortioxetine. Although the change of pH somewhat less affected changes in the chromophore, three thermodynamic dissociation constants were estimated pKTa1 = 5.22, pKTa2 = 7.12, pKTa3 = 9.16 at 25°C and pKTa1 = 5.20, pKTa2 = 7.10, pKTa3 = 9.11 at 37°C. Three thermodynamic dissociation constants of 3 ×10-4 M Vortioxetine were determined by the regression analysis of potentiometric titration curves pKTa1 = 5.10, pKTa2 = 8.30, pKTa3 = 9.20 at 25°C and pKTa1 = 5.02, pKTa2 = 8.22, pKTa3 = 9.20 at 37°C. A prediction of the dissociation constants of Vortioxetine was made using the MARVIN and ACD/Percepta programs but only two dissociation constants were theoretically proposed.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10406 - Analytical chemistry

Result continuities

  • Project

  • Continuities

    S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2018

  • Confidentiality

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

Data specific for result type

  • Name of the periodical

    Journal of Solution Chemistry

  • ISSN

    0095-9782

  • e-ISSN

  • Volume of the periodical

    47

  • Issue of the periodical within the volume

    5

  • Country of publishing house

    DE - GERMANY

  • Number of pages

    21

  • Pages from-to

    806-826

  • UT code for WoS article

    000433520900002

  • EID of the result in the Scopus database

    2-s2.0-85047117321