Chemical profiles of Robusta and Arabica coffee by ESI(−)FT-ICR MS and ATR-FTIR: a quantitative approach. Issue 42 (12th October 2016)

• Record Type: Journal Article
• Authors: Correia, Radigya M.; Loureiro, Laiza B.; Rodrigues, Rayza R. T.; Costa, Helber B.; Oliveira, Bruno G.; Filgueiras, Paulo R.; Thompson, Christopher J.; Lacerda, Valdemar; Romão, Wanderson
• Is Part Of: Analytical methods. Volume 8:Issue 42(2016)
• Page Start: 7678
• Page End: 7688
• Publication Date: 2016-10-12
• Subjects: Chemistry, Analytic -- Periodicals; Analytical biochemistry -- Periodicals; Chemical laboratories -- Standards -- Periodicals; 543.1905
• DOI: 10.1039/c6ay02501c
• Languages: English
• ISSNs: 1759-9660

Abstract

Abstract : This paper reports a method to quantify Robusta coffee in Arabica coffee blends using univariate and multivariate models. Abstract : This paper reports a method to quantify Robusta coffee in Arabica coffee blends using univariate and multivariate models. Coffee samples were analyzed by negative-ion mode electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI(−)FT-ICR MS) and by attenuated total reflection Fourier transform spectroscopy in the mid-infrared region (ATR-FTIR). To build the univariate calibration model with ESI(−)FT-ICR MS data, 12 samples of Arabica coffee adulterated with different proportions of Robusta coffee and doped with an internal standard were used. For the ATR-FTIR analysis, a higher variability of adulteration was employed with a total of 23 blend samples, and a partial least squares (PLS) regression model was proposed. The obtained univariate calibration model had limits of detection (LOD) and quantification (LOQ) of 0.2 and 0.3 wt%, respectively, whereas the PLS model with ATR-FTIR data had LOD and LOQ values of 1.3 and 4.3 wt%. Repeatability and intermediate precision for the ESI(−)FT-ICR MS model were 4 wt% and 5 wt%, respectively, and for the model with ATR-FTIR data both were 1.7 wt%. The proposed methodologies also enable the prediction of Robusta coffee adulteration in Arabica coffee commercial samples.