Advanced spectrophotometric chemometric methods for resolving the binary mixture of doxylamine succinate and pyridoxine hydrochloride

Abstract The prediction power of partial least squares (PLS) and multivariate curve resolution-alternating least squares (MCR-ALS) methods have been studied for simultaneous quantitative analysis of the binary drug combination - doxylamine succinate and pyridoxine hydrochloride. Analysis of first-order UV overlapped spectra was performed using different PLS models - classical PLS1 and PLS2 as well as partial robust M-regression (PRM). These linear models were compared to MCR-ALS with equality and correlation constraints (MCR-ALS-CC). All techniques operated within the full spectral region and extracted maximum information for the drugs analysed. The developed chemometric methods were validated on external sample sets and were applied to the analyses of pharmaceutical formulations. The obtained statistical parameters were satisfactory for calibration and validation sets. All developed methods can be successfully applied for simultaneous spectrophotometric determination of doxylamine and pyridoxine both in laboratory-prepared mixtures and commercial dosage forms.

[1]  R. Ghavami,et al.  Simultaneously detection of calcium and magnesium in various samples by calmagite and chemometrics data processing. , 2016, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

[2]  H. Darwish,et al.  Simultaneous quantitative analysis of olmesartan, amlodipine and hydrochlorothiazide in their combined dosage form utilizing classical and alternating least squares based chemometric methods , 2016, Acta pharmaceutica.

[3]  Romà Tauler,et al.  MCR-ALS GUI 2.0: New features and applications , 2015 .

[4]  Franco Allegrini,et al.  IUPAC-consistent approach to the limit of detection in partial least-squares calibration. , 2014, Analytical chemistry.

[5]  Romà Tauler,et al.  Application of correlation constrained multivariate curve resolution alternating least-squares methods for determination of compounds of interest in biodiesel blends using NIR and UV-visible spectroscopic data. , 2014, Talanta.

[6]  Romà Tauler,et al.  Multivariate Curve Resolution (MCR). Solving the mixture analysis problem , 2014 .

[7]  T. Sivakkumar,et al.  Development and Validation of a Rapid Chemometrics Assisted RP-HPLC with PDA Detection Method for the Simultaneous Estimation of Pyridoxine HCl and Doxylamine Succinate in Bulk and Pharmaceutical Dosage Form , 2014 .

[8]  Nina Nuangchamnong,et al.  Doxylamine succinate–pyridoxine hydrochloride (Diclegis) for the management of nausea and vomiting in pregnancy: an overview , 2014, International journal of women's health.

[9]  S. R. Slaughter,et al.  FDA approval of doxylamine-pyridoxine therapy for use in pregnancy. , 2014, The New England journal of medicine.

[10]  S. Nayak,et al.  DEVELOPMENT AND VALIDATION OF UV SPECTROPHOTOMETRIC METHOD FOR SIMULTANEOUS ESTIMATION OF DOXYLAMINE SUCCINATE AND PYRIDOXINE HYDROCHLORIDE IN BULK AND TABLET DOSAGE FORM , 2013 .

[11]  G. Venkateswari,et al.  DEVELOPMENT AND VALIDATION OF METHOD FOR SIMULTANEOUS ESTIMATION OF PYRIDOXINE HYDROCHLORIDE AND DOXYLAMINE SUCCINATE IN TABLET DOSAGE FORM BY FIRST ORDER DERIVATIVE SPECTROSCOPY , 2013 .

[12]  A. Pathak,et al.  SIMULTANEOUS DETERMINATION OF DOXYLAMINE SUCCINATE, PYRIDOXINE HYDROCHLORIDE AND FOLIC ACID BY CHEMOMETRIC SPECTROPHOTOMETRY , 2013 .

[13]  S. C. Bastos,et al.  Chemoface: a novel free user-friendly interface for chemometrics , 2012 .

[14]  M. Luca,et al.  Multivariate calibration techniques applied to derivative spectroscopy data for the analysis of pharmaceutical mixtures , 2009 .

[15]  S. Rajput,et al.  Simultaneous determination of a ternary mixture of doxylamine succinate, pyridoxine hydrochloride, and folic acid by the ratio spectra-zero-crossing, double divisor-ratio spectra derivative, and column high-performance liquid chromatographic methods. , 2008, Journal of AOAC International.

[16]  R. Tauler,et al.  Application of multivariate curve resolution alternating least squares (MCR-ALS) to the quantitative analysis of pharmaceutical and agricultural samples. , 2008, Talanta.

[17]  Christophe Croux,et al.  TOMCAT: A MATLAB toolbox for multivariate calibration techniques , 2007 .

[18]  J. M. Matxain,et al.  pH-Dependent electronic and spectroscopic properties of pyridoxine (Vitamin B6). , 2006, The journal of physical chemistry. B.

[19]  Peter Filzmoser,et al.  Partial robust M-regression , 2005 .

[20]  Alejandro C. Olivieri,et al.  MVC1: an integrated MatLab toolbox for first-order multivariate calibration , 2004 .

[21]  S. Wold,et al.  PLS-regression: a basic tool of chemometrics , 2001 .

[22]  A. Argekar,et al.  SIMULTANEOUS DETERMINATION OF PYRIDOXINE HYDROCHLORIDE AND DOXYLAMINE SUCCINATE IN TABLETS BY HPTLC , 1999 .

[23]  Desire L. Massart,et al.  Detection of nonlinearity in multivariate calibration , 1998 .

[24]  A. Olivieri,et al.  Simultaneous determination of phenobarbital and phenytoin in tablet preparations by multivariate spectrophotometric calibration. , 1998, Talanta.

[25]  Johanna Smeyers-Verbeke,et al.  Handbook of Chemometrics and Qualimetrics: Part A , 1997 .

[26]  R. Bro,et al.  A fast non‐negativity‐constrained least squares algorithm , 1997 .

[27]  B. Kowalski,et al.  Selectivity, local rank, three‐way data analysis and ambiguity in multivariate curve resolution , 1995 .

[28]  B. Kowalski,et al.  Theory of analytical chemistry , 1994 .