Multiblock modelling on the study of the kinetic degradation of rosuvastatin calcium in the presence of retention time shifts and rank deficiency

Author(s)

Pinto, Licarion ^[1] ; Sales Fontes Jardim, Isabel Cristina ^[2] ; Rutledge, Douglas Neil ^{[3, 4]} ; Breitkreitz, Marcia Cristina ^[2]

Affiliation

^[1] Fed Univ Pernambuco UFPE, Dept Fundamental Chem, Av Jornalista Anibal Fernandes, S-N Cidade Univ, BR-50740560 Recife, PE - Brazil

^[2] State Univ Campinas UNICAMP, Inst Chem, Dept Analyt Chem, Campinas, SP - Brazil

^[3] Univ Paris Saclay, INRAE, AgroParisTech, UMR SayFood, F-75005 Paris - France

^[4] Charles Sturt Univ, Natl Wine & Grape Ind Ctr, Wagga Wagga, NSW - Australia

• Document type: Journal article
• Source: Analytica Chimica Acta; v. 1133, p. 77-87, OCT 9 2020.
• Web of Science Citations: 0

Abstract

In pharmaceutical development, forced degradation studies are mandatory before the commercialization of any drug product. They aim at identifying the possible degradation routes and the potential products that may be formed during drug product shelf life. The most widely used techniques for monitoring this in the pharmaceutical industry are hyphenated techniques such as Liquid Chromatography coupled to ultraviolet diode array detector (LC-DAD). There are however some drawbacks, such as long analysis times required for the elution of all compounds and coelution, which is not easily detected since degradation products usually have spectra very similar to that of the drug. Chemometrics methods applied to LC-DAD data are capable of solving this issue, but the approaches described in the literature first require peak alignment to solve the rank deficiency problem, which is a delicate preprocessing method for high order data. The present work describes another approach where extra information - the kinetic degradation profiles - is included for the modelling, generating a third-order data set for each sample, resulting in a four-way array (sample x retention times x spectra x degradation profile). This approach has the advantage of using the information in the third mode to solve the peak co-elution problem without the need for peak alignment among samples. With the proposed approach, it was possible to study the degradation of calcium rosuvastatin, a modern cholesterol lowering drug, using a 2 min-run, despite all the challenges in the modelling of this data. The proposed strategy was compared to an approach based on augmenting the matrix in the spectral/kinetic modes (second order modelling strategy). (C) 2020 Elsevier B.V. All rights reserved. (AU)

• FAPESP's process: 14/50867-3 - INCT 2014: National Institute of Science and Technology in Bioanalysis
• Grantee: Marco Aurelio Zezzi Arruda
• Support Opportunities: Research Projects - Thematic Grants
• FAPESP's process: 16/05636-9 - Development of innovative analytical methods for analytes of pharmaceutical interest based on ultra-high supercritical fluid chromatography associated with chemometrics tools
• Grantee: Márcia Cristina Breitkreitz
• Support Opportunities: Regular Research Grants