TY - JOUR T1 - Quantitative evaluation of multiple adulterants in roasted coffee by Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) and chemometrics. AU - Reis,Nádia, AU - Franca,Adriana S, AU - Oliveira,Leandro S, Y1 - 2013/06/14/ PY - 2013/03/06/received PY - 2013/06/03/revised PY - 2013/06/05/accepted PY - 2013/9/24/entrez PY - 2013/9/24/pubmed PY - 2014/4/16/medline KW - Barley KW - Coffee adulteration KW - Coffee husks KW - Corn KW - DLATGS KW - DR KW - DRIFTS KW - Deuterated Triglycine Sulfate Doped with l-Alanine KW - Diffuse Reflectance Infrared Fourier Transform Spectroscopy KW - FTIR KW - Fourier Transform Infrared Spectroscopy KW - LDA KW - Linear Discriminant Analysis KW - MSC KW - NIRS KW - PLS KW - Partial Least Squares Regression KW - RMSEC KW - RMSECV KW - RMSEP KW - RS KW - Raman spectroscopy KW - SNV KW - Spent coffee grounds KW - diffuse reflectance KW - multiple scatter correction KW - near infrared spectroscopy KW - root mean square error for calibration KW - root mean square error for cross validation KW - root mean square error for validation KW - standard normal variates SP - 563 EP - 8 JF - Talanta JO - Talanta VL - 115 N2 - The current study presents an application of Diffuse Reflectance Infrared Fourier Transform Spectroscopy for detection and quantification of fraudulent addition of commonly employed adulterants (spent coffee grounds, coffee husks, roasted corn and roasted barley) to roasted and ground coffee. Roasted coffee samples were intentionally blended with the adulterants (pure and mixed), with total adulteration levels ranging from 1% to 66% w/w. Partial Least Squares Regression (PLS) was used to relate the processed spectra to the mass fraction of adulterants and the model obtained provided reliable predictions of adulterations at levels as low as 1% w/w. A robust methodology was implemented that included the detection of outliers. High correlation coefficients (0.99 for calibration; 0.98 for validation) coupled with low degrees of error (1.23% for calibration; 2.67% for validation) confirmed that DRIFTS can be a valuable analytical tool for detection and quantification of adulteration in ground, roasted coffee. SN - 1873-3573 UR - https://www.unboundmedicine.com/medline/citation/24054633/Quantitative_evaluation_of_multiple_adulterants_in_roasted_coffee_by_Diffuse_Reflectance_Infrared_Fourier_Transform_Spectroscopy__DRIFTS__and_chemometrics_ L2 - https://linkinghub.elsevier.com/retrieve/pii/S0039-9140(13)00504-3 DB - PRIME DP - Unbound Medicine ER -