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RESEARCH PRODUCT

Vibrational spectroscopy provides a green tool for multi-component analysis

Javier MorosSalvador GarriguesMiguel De La Guardia

subject

Computer scienceCalibration (statistics)Infrared spectroscopyMineralogySample (statistics)Spectral bandscomputer.software_genreAnalytical ChemistryChemometricsNonlinear systemComponent analysisData miningFocus (optics)computerSpectroscopy

description

Abstract Based on the literature published in the past decade, we focus on the possibilities offered by vibrational-spectroscopy-based techniques to make multi-component analysis of samples independently of their physical state. We discuss the main chemometric tools proposed for developing calibration models and solving problems derived from spectroscopic non-idealities (e.g., highly overlapped spectral bands or the presence of spectral non-linearity), and the benefits provided by vibrational-spectroscopy-based multi-component analysis in industry. Our main objective is to show that vibrational spectroscopy provides fast analytical methods that enable non-destructive analysis and permits, in a green way, the simultaneous analysis of multiple components from the same sample in a single instrumental measurement without environmental side effects.

https://doi.org/10.1016/j.trac.2009.12.012