Portable NIR and chemometrics to identify expired baclofen tablets

Abstract

Baclofen is a muscle relaxant used to treat muscle spasms associated with neuromuscular conditions, which can suffer from adulteration or contamination that compromises its efficacy and safety. In this context, near-infrared (NIR) spectroscopy and chemometric techniques have proven to be an efficient alternative for classifying baclofen and identifying adulterated or contaminated samples. Thus, the present study aimed to present a methodology for classifying baclofen using NIR spectroscopy and chemometric techniques. Through the analysis of commercial samples from different lots and expiration dates, the DD-SIMCA techniques were employed to create an efficient classification model for the medication. In synergy with the classification, an experiment was conducted to determine the degradation profile of the drug under radiation and heat sources, strengthening scientific research and industrial efficiency in ensuring authenticity, quality, and compliance in the pharmaceutical industry. The study analyzed 43 baclofen samples from three brands, including 23 non-expired and 20 expired. Using a spectrophotometer, spectra were obtained in the near-infrared region. The analysis included pre-processing and the DD-SIMCA chemometric technique. Experiments on degradation via ultraviolet radiation and temperature were conducted, monitoring baclofen's behavior. Direct Infusion Mass Spectrometry (DIMS) investigated differences in the molecular composition between tablets within and beyond their expiration dates. The research focused on the precise classification of expired and non-expired baclofen tablets, utilizing the robust DD-SIMCA model with different pre-processing methods. The analysis revealed the model's consistency and efficacy, particularly highlighting the SNV and MSC pre-processings. DIMS identified molecular changes in expired tablets, providing important information regarding the degradation of baclofen. Experiments on degradation via ultraviolet radiation and temperature indicated baclofen's sensitivity to these stresses, with observed processes of photodegradation and thermal degradation. These findings have crucial implications for understanding the stability of the medication, informing storage and handling practices to ensure its efficacy and safety.

Keywords: drug, vibrational spectroscopy, supervised pattern recognition, one-class classification, Degradation