Please use this identifier to cite or link to this item:
Title: Assessment of bitter taste of pharmaceuticals with multisensor system employing 3 way PLS regression
Author: Rudnitskaya, Alisa
Kirsanov, Dmitry
Blinova, Yulia
Legin, Evgeny
Seleznev, Boris
Clapham, David
Ives, Robert S.
Saunders, Kenneth A.
Legin, Andrey
Keywords: API
Electronic tongue
N-Way PLS regression
Potentiometric chemical sensors
Issue Date: 2013
Publisher: Elsevier
Abstract: The application of the potentiometric multisensor system (electronic tongue, ET) for quantification of the bitter taste of structurally diverse active pharmaceutical ingredients (API) is reported. The measurements were performed using a set of bitter substances that had been assessed by a professional human sensory panel and the in vivo rat brief access taste aversion (BATA) model to produce bitterness intensity scores for each substance at different concentrations. The set consisted of eight substances, both inorganic and organic - azelastine, caffeine, chlorhexidine, potassium nitrate, naratriptan, paracetamol, quinine, and sumatriptan. With the aim of enhancing the response of the sensors to the studied APIs, measurements were carried out at different pH levels ranging from 2 to 10, thus promoting ionization of the compounds. This experiment yielded a 3 way data array (samples × sensors × pH levels) from which 3wayPLS regression models were constructed with both human panel and rat model reference data. These models revealed that artificial assessment of bitter taste with ET in the chosen set of API's is possible with average relative errors of 16% in terms of human panel bitterness score and 25% in terms of inhibition values from in vivo rat model data. Furthermore, these 3wayPLS models were applied for prediction of the bitterness in blind test samples of a further set of API's. The results of the prediction were compared with the inhibition values obtained from the in vivo rat model.
Peer review: yes
DOI: 10.1016/j.aca.2013.02.006
ISSN: 0003-2670
Appears in Collections:CESAM - Artigos
DQ - Artigos

Files in This Item:
File Description SizeFormat 
Rudnitskaya et al. - 2013 - Assessment of bitter taste of pharmaceuticals with.pdf444.02 kBAdobe PDFrestrictedAccess

Formato BibTex MendeleyEndnote Degois 

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.