Peer-Reviewed Publication

Spectrochim Acta A Mol Biomol Spectrosc2026;363(Pt 1):128478.December 15, 2026Journal Article

Raman quantification of (R)-(+)-limonene in mineral oil: An integrated PCA/PLS and DFT-PED approach.

Joaquín Hernández-Fernández¹, Jhojan Salcedo-Castellar²

¹Chemistry Program, Department of Natural and Exact Sciences, University of Cartagena, San Pablo Campus, Cartagena de Indias 130015, Colombia; Department of Natural and Exact Science, Universidad de la Costa, Barranquilla 080002, Colombia. Electronic address: jhernandezf@unicartagena.edu.co.

²Chemistry Program, Department of Natural and Exact Sciences, University of Cartagena, San Pablo Campus, Cartagena de Indias 130015, Colombia. Electronic address: jsalcedoc@unicartagena.edu.co.

PubMed DOI

Abstract

A Raman spectroscopy-based method was developed for the quantification of (R)-(+)-limonene in mineral oil using spectral pretreatment, PCA/PLS chemometric analysis, and DFT-assisted vibrational interpretation. Seven concentration levels between 1 and 50% w/w were prepared gravimetrically and analyzed using five independent measurements per level to evaluate spectral repeatability. The experimental…

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