Minimal-Invasive Analytical Method and Data Fusion: an Alternative for Determination of Cu, K, Sr, and Zn in Cocoa Beans

Author(s)

Gamela, Raimundo Rafael ^[1] ; Pereira-Filho, Edenir Rodrigues ^[1] ; Pereira, Fabiola Manhas Verbi ^{[2, 3]}

Affiliation

^[1] Univ Fed Sao Carlos, Dept Chem, Grp Appl Instrumental Anal, BR-13560270 Sao Carlos, SP - Brazil

^[2] Natl Inst Alternat Technol Detect Toxicol Assessm, BR-14800060 Araraquara, SP - Brazil

^[3] Sao Paulo State Univ UNESP, Inst Chem, Bioenergy Res Inst IPBEN, Grp Alternat Analyt Approaches GAAA, BR-14800060 Araraquara, SP - Brazil

• Document type: Journal article
• Source: FOOD ANALYTICAL METHODS; v. 14, n. 3, p. 545-551, MAR 2021.
• Web of Science Citations: 1

Abstract

In the present study, a minimal-invasive analytical method for determination of Cu, K, Sr, and Zn in cocoa beans was performed using energy X-ray fluorescence (EDXRF) and laser-induced breakdown spectroscopy (LIBS) combined with multivariate calibration. Partial least squares (PLS) chemometric technique was applied to modeling the data, and inductively coupled plasma optical emission spectrometry (ICP OES) technique was the reference method for the chemical elements concentration levels, after microwave acid mineralization. The figures of merit estimated for Cu, Sr, Zn, and K showed good performance, with acceptable trueness values (85-120%). Data fusion strategy between EDXRF and LIBS data was used to enhance the predictive capability of K. In addition, lower standard error of cross-validation (SECV) (872 mg kg(-1)) was obtained, showing better performance than those obtained by individual data. (AU)

• FAPESP's process: 14/50945-4 - INCT 2014: National Institute for Alternative Technologies of Detection, Toxicological Evaluation and Removal of Micropollutants and Radioactivies
• Grantee: Maria Valnice Boldrin
• Support Opportunities: Research Projects - Thematic Grants
• FAPESP's process: 19/01102-8 - Multi-user equipament approved in grant 2018/18212-8: X-Ray Fluorescence spectrometer
• Grantee: Fabiola Manhas Verbi Pereira
• Support Opportunities: Multi-user Equipment Program
• FAPESP's process: 18/18212-8 - Development of chemometric models for determination of solid impurities in raw sugarcane using energy dispersive X-ray fluorescence
• Grantee: Fabiola Manhas Verbi Pereira
• Support Opportunities: Regular Research Grants
• FAPESP's process: 19/24223-5 - Calibration in Laser-Induced Breakdown Spectroscopy (LIBS): alternatives, challenges, proposals comparison and proposition of a universal procedure
• Grantee: Edenir Rodrigues Pereira Filho
• Support Opportunities: Regular Research Grants