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Spectroscopy

UV chemometrics quantify two COVID-era drugs at once

Katamesh NS, Abbas AEF, Mahmoud SA · BMC chemistry · 2024

Open access · cc by · source: Europe PMC

CLS, PCR, PLS and GA-PLS models resolve overlapping UV spectra of montelukast and levocetirizine, with GA-PLS best (R2 > 0.99) and Latin-hypercube validation plus greenness scores versus HPLC.

Key findings

GA-PLS had R2 0.9932/0.9901, RMSEP 0.1872/0.1779, LOD 0.0813 and 0.2273 μg mL−1, recoveries 99.72–100.86%. Working window is 191 wavelengths. The UV method is positioned as a greener alternative to HPLC.

Methodology

Authors recorded 210–400 nm spectra of MLK/LCZ mixtures, built four chemometric calibrations on a 25-sample Brereton design, validated with LHS, and scored NEMI/GAPI/AGREE/BAGI/RGB12 sustainability.

Limitations

It quantifies two APIs in tablets, not metabolites in plasma, and green scores are metric-based rather than a full process LCA.

How this study connects

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