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UV chemometrics quantify two COVID-era drugs at once
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.
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What two drugs were quantified simultaneously?
Montelukast (MLK) and levocetirizine (LCZ).
Source: Four chemometric models enhanced by Latin hypercube sampling design for quantification of anti-COVID drugs: sustainability profiling through multiple greenness, carbon footprint, blueness, and whiteness metrics · DOI · quote verified
Which four models were compared?
CLS, PCR, PLS and GA-PLS.
Source: Four chemometric models enhanced by Latin hypercube sampling design for quantification of anti-COVID drugs: sustainability profiling through multiple greenness, carbon footprint, blueness, and whiteness metrics · DOI · quote verified
Which model was best?
GA-PLS, with highest R2/Q2 and lowest RMSEP.
Source: Four chemometric models enhanced by Latin hypercube sampling design for quantification of anti-COVID drugs: sustainability profiling through multiple greenness, carbon footprint, blueness, and whiteness metrics · DOI · quote verified
What R2 did GA-PLS reach?
0.9932 (MLK) and 0.9901 (LCZ).
Source: Four chemometric models enhanced by Latin hypercube sampling design for quantification of anti-COVID drugs: sustainability profiling through multiple greenness, carbon footprint, blueness, and whiteness metrics · DOI · quote verified
What RMSEP values did GA-PLS achieve?
0.1872 and 0.1779 (RRMSEP 0.7516% and 0.6585%).
Source: Four chemometric models enhanced by Latin hypercube sampling design for quantification of anti-COVID drugs: sustainability profiling through multiple greenness, carbon footprint, blueness, and whiteness metrics · DOI · quote verified
What LOD pair is quoted for GA-PLS?
0.0813 and 0.2273 μg mL−1.
Source: Four chemometric models enhanced by Latin hypercube sampling design for quantification of anti-COVID drugs: sustainability profiling through multiple greenness, carbon footprint, blueness, and whiteness metrics · DOI · quote verified
What spectral window was kept?
210–400 nm, 1 nm steps, 191 points.
Source: Four chemometric models enhanced by Latin hypercube sampling design for quantification of anti-COVID drugs: sustainability profiling through multiple greenness, carbon footprint, blueness, and whiteness metrics · DOI · quote verified
How was the calibration set designed?
25 samples, five concentration levels (−2 to +2) after Brereton.
Source: Four chemometric models enhanced by Latin hypercube sampling design for quantification of anti-COVID drugs: sustainability profiling through multiple greenness, carbon footprint, blueness, and whiteness metrics · DOI · quote verified
Why use Latin hypercube sampling for validation?
Unbiased coverage of concentration space with fewer samples, aligning with green resource use.
Source: Four chemometric models enhanced by Latin hypercube sampling design for quantification of anti-COVID drugs: sustainability profiling through multiple greenness, carbon footprint, blueness, and whiteness metrics · DOI · quote verified
What recovery range did GA-PLS show in accuracy tests?
99.72–100.86% with SD < 0.6%.
Source: Four chemometric models enhanced by Latin hypercube sampling design for quantification of anti-COVID drugs: sustainability profiling through multiple greenness, carbon footprint, blueness, and whiteness metrics · DOI · quote verified
Which sustainability toolkits were applied?
NEMI, ComplexGAPI, AGREE, BAGI and RGB12.
Source: Four chemometric models enhanced by Latin hypercube sampling design for quantification of anti-COVID drugs: sustainability profiling through multiple greenness, carbon footprint, blueness, and whiteness metrics · DOI · quote verified