HAAR wavelet-PARAFAC approach for separation of overlapping spectra and simultaneous quantification of amoxicillin and clavulanic acid in a veterinary antibiotic formulation: Comparison with UPLC
Microchemical Journal, cilt.230, 2026 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 230
- Basım Tarihi: 2026
- Doi Numarası: 10.1016/j.microc.2026.119675
- Dergi Adı: Microchemical Journal
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, BIOSIS, Chemical Abstracts Core, Chimica, Index Islamicus, Academic Search Ultimate (EBSCO), Engineering Source (EBSCO)
- Anahtar Kelimeler: Amoxicillin, Chemometric analysis, Clavulanic acid, Continuous wavelet transform, Multiway analysis, PARAFAC, Spectral overlap
- Ankara Üniversitesi Adresli: Evet
Özet
The extensive use of antibiotic formulations and the requirement for accurate dosage of active ingredients make reliable quality control essential. However, spectral overlap between analytes and potential interference from sample matrices limit the applicability of conventional spectrophotometric methods for simultaneous determination, often requiring more complex and costly analytical techniques. In this context, a chemometric approach based on the HAAR continuous wavelet transform (HAAR-CWT) combined with parallel factor analysis (PARAFAC) was applied to separate and simultaneously quantify AMOX and CLAV in a veterinary formulation. Within this framework, ultraviolet (UV) spectral data (wavelength × sample) were transformed into the wavelet domain using HAAR-CWT to construct a third-order dataset (wavelength (CWT coefficient) × sample × wavelet scale), thereby enabling effective resolution of overlapping signals. PARAFAC decomposition of the resulting data array provided mathematically resolved spectral and concentration profiles for both analytes, allowing accurate quantification without chromatographic separation. The method was evaluated by calibration, recovery, and standard addition studies. Good linearity was achieved (r = 0.9997 for AMOX and 0.9998 for CLAV). Recovery studies on independent test mixtures yielded satisfactory results (98.5% and 99.2%, respectively), while standard addition experiments applied to veterinary formulation samples confirmed the selectivity and accuracy of the method, providing mean recoveries of 100.4% for AMOX and 99.1% for CLAV with low RSD values (1.70% and 0.98%, respectively). Results were in strong agreement with those obtained using an independently developed UPLC method. The proposed HAAR-CWT-PARAFAC method offers a practical, rapid, and cost-effective alternative for routine analysis of binary mixtures with overlapping spectra.