title: Feasibility of using near infrared spectroscopy to detect and quantify an adulterant in high quality sandalwood oil.
abstract: Determination of the authenticity of essential oils has become more significant, in recent years, following some illegal adulteration and contamination scandals. The present investigative study focuses on the application of near infrared spectroscopy to detect sample authenticity and quantify economic adulteration of sandalwood oils. Several data pre-treatments are investigated for calibration and prediction using partial least square regression (PLSR). The quantitative data analysis is done using a new spectral approach - full spectrum or sequential spectrum. The optimum number of PLS components is obtained according to the lowest root mean square error of calibration (RMSEC=0.00009% v/v). The lowest root mean square error of prediction (RMSEP=0.00016% v/v) in the test set and the highest coefficient of determination (R(2)=0.99989) are used as the evaluation tools for the best model. A nonlinear method, locally weighted regression (LWR), is added to extract nonlinear information and to compare with the linear PLSR model.
authors.affiliation: Centre for Molecular and Biophysics Research, Department of Physics, Mar Ivanios College, Thiruvananthapuram 695 015, Kerala, India. saku3151969@gmail.com
authors.forename: Saji
authors.initials: S
authors.lastname: Kuriakose
authors.forename: I Hubert
authors.initials: IH
authors.lastname: Joe
mesh_terms: D004340:Drug Contamination; D005240:Feasibility Studies; D016018:Least-Squares Analysis; D010938:Plant Oils / Q000737:chemistry*; D012717:Sesquiterpenes / Q000737:chemistry*; D019265:Spectroscopy, Near-Infrared / Q000379:methods*
chemical_list: D010938:Plant Oils; D012717:Sesquiterpenes; C076763:sandalwood oil
keywords: Economic adulteration; LWR; NIR spectroscopy; Oil authenticity; PLSR