PLS-LS-SVM based modeling of ATR-IR as a robust method in detection and qualification of alprazolam.
According to the United States pharmacopeia (USP), Gold standard technique for Alprazolam determination in dosage forms is HPLC, an expensive and time-consuming method that is not easy to approach. In this study chemometrics assisted ATR-IR was introduced as an alternative method that produce similar results in fewer time and energy consumed manner. Fifty-eight samples containing different concentrations of commercial alprazolam were evaluated by HPLC and ATR-IR method. A preprocessing approach was applied to convert raw data obtained from ATR-IR spectra to normal matrix. Finally, a relationship between alprazolam concentrations achieved by HPLC and ATR-IR data was established using PLS-LS-SVM (partial least squares least squares support vector machines). Consequently, validity of the method was verified to yield a model with low error values (root mean square error of cross validation equal to 0.98). The model was able to predict about 99% of the samples according to R2of prediction set. Response permutation test was also applied to affirm that the model was not assessed by chance correlations. At conclusion, ATR-IR can be a reliable method in manufacturing process in detection and qualification of alprazolam content.
Department of Pharmaceutics, School of Pharmacy, Shiraz University of Medical Sciences, Shiraz, Iran.
Elahehnaz
E
Parhizkar
Department of Medicinal Chemistry, School of Pharmacy, Shiraz University of Medical Sciences, Shiraz, Iran.
Mohammad
M
Ghazali
Department of Pharmaceutics, School of Pharmacy, Shiraz University of Medical Sciences, Shiraz, Iran.
Fatemeh
F
Ahmadi
Department of Medicinal Chemistry, School of Pharmacy, Shiraz University of Medical Sciences, Shiraz, Iran; Medicinal and Natural Products Chemistry Research Center, Shiraz University of Medical Sciences, Shiraz, Iran. Electronic address: asakhteman@sums.ac.ir.
Amirhossein
A
Sakhteman
D000525:Alprazolam / Q000032:analysis*; D002851:Chromatography, High Pressure Liquid; D016018:Least-Squares Analysis; D008962:Models, Theoretical; D015203:Reproducibility of Results; D013055:Spectrophotometry, Infrared / Q000379:methods*; D060388:Support Vector Machine; D013607:Tablets / Q000032:analysis*
D013607:Tablets; D000525:Alprazolam
Alprazolam; Attenuate total reflectance mid-infrared; Chemometrics modeling; HPLC; Partial least squares- least squares- support vector machines