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
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10406 - Analytical chemistry
Result continuities
Project
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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
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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