Infrared-Photoacoustic Spectroscopy and Multiproduct Multivariate Calibration to Estimate the Proportion of Coffee Defects in Roasted Samples
Infrared-photoacoustic spectroscopy (IR-PAS) and partial least squares (PLS) were tested as a rapid alternative to conventional methods to evaluate the proportion of coffee defects in roasted and ground coffees. Multiproduct multivariate calibration models were obtained from spectra of healthy beans...
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-03-01
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| Series: | Beverages |
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| Online Access: | https://www.mdpi.com/2306-5710/9/1/21 |
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| author | Rafael Dias Patrícia Valderrama Paulo Março Maria Scholz Michael Edelmann Chahan Yeretzian |
| author_facet | Rafael Dias Patrícia Valderrama Paulo Março Maria Scholz Michael Edelmann Chahan Yeretzian |
| author_sort | Rafael Dias |
| collection | DOAJ |
| description | Infrared-photoacoustic spectroscopy (IR-PAS) and partial least squares (PLS) were tested as a rapid alternative to conventional methods to evaluate the proportion of coffee defects in roasted and ground coffees. Multiproduct multivariate calibration models were obtained from spectra of healthy beans of <i>Coffea canephora</i> and <i>C. arabica</i> (Arabica) and blends composed of defective and healthy beans of Arabica in different proportions. The blends, named selections, contained sour, black, broken, whole beans, skin, and coffee woods. Six models were built using roasted and ground coffee samples. The model was optimized through outlier evaluation, and the parameters of merit such as accuracy, sensitivity, limits of detection and quantification, the inverse of analytical sensitivity, linearity, and adjustment were computed. The models presented predictive capacity and high sensitivity in determining defects, all being predicted with suitable correlation coefficients (ranging from 0.7176 to 0.8080) and presenting adequate performance. The parameters of merit displayed promising results, and the prediction models developed for %defects can be safely used as an alternative to the reference method. Furthermore, the new method is fast, efficient, and suitable for in-line application in quality control industrial coffee processing. |
| first_indexed | 2024-03-11T06:55:27Z |
| format | Article |
| id | doaj.art-5ffac3ceb4254d14933e3db963f3cff0 |
| institution | Directory Open Access Journal |
| issn | 2306-5710 |
| language | English |
| last_indexed | 2024-03-11T06:55:27Z |
| publishDate | 2023-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Beverages |
| spelling | doaj.art-5ffac3ceb4254d14933e3db963f3cff02023-11-17T09:38:51ZengMDPI AGBeverages2306-57102023-03-01912110.3390/beverages9010021Infrared-Photoacoustic Spectroscopy and Multiproduct Multivariate Calibration to Estimate the Proportion of Coffee Defects in Roasted SamplesRafael Dias0Patrícia Valderrama1Paulo Março2Maria Scholz3Michael Edelmann4Chahan Yeretzian5Coffee Excellence Center, Institute of Chemistry and Biotechnology, Zurich University of Applied Sciences (ZHAW), Einsiedlerstrasse 31, CH-8820 Wädenswil, SwitzerlandPost-Graduation Program in Food Technology—PPGTA, Federal Technological University of Paraná State—UTFPR, Via Rosalina Maria dos Santos, 1233, Campo Mourão 87301-899, Paraná, BrazilPost-Graduation Program in Food Technology—PPGTA, Federal Technological University of Paraná State—UTFPR, Via Rosalina Maria dos Santos, 1233, Campo Mourão 87301-899, Paraná, BrazilInstituto Agronômico do Paraná—IAPAR, Technical Scientific Board, Rod. Celso Garcia Cid, Km 375, Postal Code 481, Londrina 86001-970, Paraná, BrazilCoffee Excellence Center, Institute of Chemistry and Biotechnology, Zurich University of Applied Sciences (ZHAW), Einsiedlerstrasse 31, CH-8820 Wädenswil, SwitzerlandCoffee Excellence Center, Institute of Chemistry and Biotechnology, Zurich University of Applied Sciences (ZHAW), Einsiedlerstrasse 31, CH-8820 Wädenswil, SwitzerlandInfrared-photoacoustic spectroscopy (IR-PAS) and partial least squares (PLS) were tested as a rapid alternative to conventional methods to evaluate the proportion of coffee defects in roasted and ground coffees. Multiproduct multivariate calibration models were obtained from spectra of healthy beans of <i>Coffea canephora</i> and <i>C. arabica</i> (Arabica) and blends composed of defective and healthy beans of Arabica in different proportions. The blends, named selections, contained sour, black, broken, whole beans, skin, and coffee woods. Six models were built using roasted and ground coffee samples. The model was optimized through outlier evaluation, and the parameters of merit such as accuracy, sensitivity, limits of detection and quantification, the inverse of analytical sensitivity, linearity, and adjustment were computed. The models presented predictive capacity and high sensitivity in determining defects, all being predicted with suitable correlation coefficients (ranging from 0.7176 to 0.8080) and presenting adequate performance. The parameters of merit displayed promising results, and the prediction models developed for %defects can be safely used as an alternative to the reference method. Furthermore, the new method is fast, efficient, and suitable for in-line application in quality control industrial coffee processing.https://www.mdpi.com/2306-5710/9/1/21defective coffee beanscoffee qualityroasted coffeePLSparameters of merit |
| spellingShingle | Rafael Dias Patrícia Valderrama Paulo Março Maria Scholz Michael Edelmann Chahan Yeretzian Infrared-Photoacoustic Spectroscopy and Multiproduct Multivariate Calibration to Estimate the Proportion of Coffee Defects in Roasted Samples Beverages defective coffee beans coffee quality roasted coffee PLS parameters of merit |
| title | Infrared-Photoacoustic Spectroscopy and Multiproduct Multivariate Calibration to Estimate the Proportion of Coffee Defects in Roasted Samples |
| title_full | Infrared-Photoacoustic Spectroscopy and Multiproduct Multivariate Calibration to Estimate the Proportion of Coffee Defects in Roasted Samples |
| title_fullStr | Infrared-Photoacoustic Spectroscopy and Multiproduct Multivariate Calibration to Estimate the Proportion of Coffee Defects in Roasted Samples |
| title_full_unstemmed | Infrared-Photoacoustic Spectroscopy and Multiproduct Multivariate Calibration to Estimate the Proportion of Coffee Defects in Roasted Samples |
| title_short | Infrared-Photoacoustic Spectroscopy and Multiproduct Multivariate Calibration to Estimate the Proportion of Coffee Defects in Roasted Samples |
| title_sort | infrared photoacoustic spectroscopy and multiproduct multivariate calibration to estimate the proportion of coffee defects in roasted samples |
| topic | defective coffee beans coffee quality roasted coffee PLS parameters of merit |
| url | https://www.mdpi.com/2306-5710/9/1/21 |
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