Extractor solvent-detector optimization of plant responses to environmental impacts: an integrated factorial design, mixture design and ANOVA: simultaneous component analysis strategy

• Grant number: 20/11463-5
• Support Opportunities: Scholarships in Brazil - Post-Doctoral
• Start date: January 01, 2022
• End date: December 31, 2025
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
• Principal Investigator: Roy Edward Bruns
• Grantee: Gustavo Galo Marcheafave
• Host Institution: Instituto de Química (IQ). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Associated scholarship(s): 22/12465-7 - Multiset data analysis in mixture designed fingerprints through multivariate curve resolution: exploring spectroscopy data fusion approaches in metabolomics, BE.EP.PD

Abstract

Metabolomic approaches have limitations arising from the extraction and detection of a set of metabolites that make up the total biological system. In addition, the demand for chemometric methods that support the analysis of continuous data has stimulated the development of methods that determine the statistically significant factors that affect the chemical composition of the sets of samples that suffered factorial design perturbations. ANOVA - Simultaneous Component Analysis (ASCA) is one method finding increasing application in the Chemical area due to its advantages. However, its limitations are still unknown due to the partial or total metabolome detected, the type of analytical technique applied, and the number of replications contained in the experiment. The principal challenge predates the chemical detection process, but consists of optimizing an efficient and robust extraction system that allows the chemical matrix to be worked as a complete representation of the biological material. However, the specific compounds that have been changed due to an environmental disturbance implemented by a factorial design are not known. Optimized procedures allow their complete detection. This project aims at developing a general strategy for optimizing extractor solvent-detector selection to investigate plant responses to environmental changes with systematic studies in different fingerprinting techniques from statistical mixtures designs with stability validation of the main effects and interactions by ASCA models. (AU)

Scientific publications

(8)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

DE ALMEIDA, ANDRESSA GOMES; TORMENA, CLAUDIA DOMICIANO; DE AGUIAR, NATALIA SAUDADE; WENDLING, IVAR; RAKOCEVIC, MIROSLAVA; PAULI, ELIS DAIANE; SCARMINIO, IEDA SPACINO; BRUNS, ROY EDWARD; MARCHEAFAVE, GUSTAVO GALO. Direct NIR spectral determination of genetic improvement, light availability, and their interaction effects on chemically selected yerba-mate leaves. Microchemical Journal, v. 191, p. 7-pg., 2023-05-03. (20/11463-5)

GUSTAVO G. MARCHEAFAVE; ELIS D. PAULI; IVAR WENDLING; MIROSLAVA RAKOCEVIC; IEDA S. SCARMINIO; ROY E. BRUNS. A Comparative Study Using UV-Vis, NIR, and FTIR Spectral Fingerprinting in Yerba Mate Leaves through Mixture Design Extractions and ASCA Models. Journal of the Brazilian Chemical Society, v. 36, n. 1, 2024-06-10. (20/11463-5)

CLEMENTE, MARCO AURELIO JEANEGITZ; MARCHEAFAVE, GUSTAVO GALO; SILVA, HELOISA HELENA PEREIRA; BRANCO, ISADORA GUILHERME; CANESIN, EDMILSON ANTONIO; MANTOVANI, ANA CAROLINA GOMES; CHENDYNSKI, LETICIA THAIS; BORSATO, DIONISIO. Addition of jabuticaba peel extract with antioxidant properties in biodiesel. Fuel Processing Technology, v. 243, p. 5-pg., 2023-01-28. (20/11463-5)

RAKOCEVIC, MIROSLAVA; BATISTA, EUNICE REIS; MATSUNAGA, FABIO TAKESHI; WENDLING, IVAR; MARCHEAFAVE, GUSTAVO GALO; BRUNS, ROY EDUARD; SCARMINIO, IEDA SPACINO; RIBEIRO, RAFAEL VASCONCELOS. Canopy architecture and diurnal CO₂ uptake in male and female clones of yerba-mate cultivated in monoculture and agroforestry. Annals of Applied Biology, v. N/A, p. 16-pg., 2023-10-04. (20/11463-5)

TORMENA, CLAUDIA DOMICIANO; RUTLEDGE, DOUGLAS N.; RAKOCEVIC, MIROSLAVA; BRUNS, ROY EDWARD; SCARMINIO, IEDA SPACINO; MARCHEAFAVE, GUSTAVO GALO; PAULI, ELIS DAIANE. Exogenous application of bioregulators in Coffea arabica beans during ripening: Investigation of UV-Visible and NIR mixture design-fingerprints using AComDim-ICA. Microchemical Journal, v. 181, p. 13-pg., 2022-10-01. (20/11463-5)

DE ALMEIDA, ANDRESSA GOMES; PAULI, ELIS DAIANE; TORMENA, CLAUDIA DOMICIANO; WENDLING, IVAR; RAKOCEVIC, MIROSLAVA; BRUNS, ROY EDWARD; SCARMINIO, IEDA SPACINO; MARCHEAFAVE, GUSTAVO GALO. Portable NIR Spectroscopy-Chemometric Identification of Chemically Differentiated Yerba Mate (Ilex paraguariensis) Clones. FOOD ANALYTICAL METHODS, v. N/A, p. 9-pg., 2022-12-07. (20/11463-5)

QUINTELA, AMANDA L.; SANTOS, MARIA F. C.; DE LIMA, RODRIGO F.; MAYER, JULIANA L. S.; MARCHEAFAVE, GUSTAVO G.; ARRUDA, MARCO A. Z.; TORMENA, CLAUDIO F.. Influence of Silver Nanoparticles on the Metabolites of Two Transgenic Soybean Varieties: An NMR-Based Metabolomics Approach. Journal of Agricultural and Food Chemistry, v. 72, n. 21, p. 14-pg., 2024-05-15. (19/24445-8, 18/25207-0, 20/10246-0, 20/11463-5, 20/16038-0)

MARCHEAFAVE, GUSTAVO GALO; PAULI, ELIS DAIANE; TORMENA, CLAUDIA DOMICIANO; DUARTE, LEONARDO JOSE; WENDLING, IVAR; RAKOCEVIC, MIROSLAVA; QUINTELA, AMANDA LEMOS; SANTOS, MARIA DE FATIMA COSTA; TORMENA, CLAUDIO FRANCISCO; SCARMINIO, IEDA SPACINO; et al. ¹H NMR Mixture Design-Fingerprints and ASCA Analysis in Ilex paraguariensis: Model Stability in Search of a Global Metabolome. Analytical Chemistry, v. 95, n. 46, p. 11-pg., 2023-11-10. (18/25207-0, 20/10246-0, 22/14697-2, 20/11463-5, 20/16038-0)