| Full text | |
| Author(s): Show less - |
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
;
Bruns, Roy Edward
Total Authors: 11
|
| Document type: | Journal article |
| Source: | Analytical Chemistry; v. 95, n. 46, p. 11-pg., 2023-11-10. |
| Abstract | |
The effects of experimental repetitions and solvent extractors on the H-1 NMR fingerprinting of yerba mate extracts, obtained from two genders and two light environments, were analyzed in-depth by ANOVA-simultaneous component analysis (ASCA). Different solvents were used according to a mixture design based on ethanol, dichloromethane, and hexane and their combinations. The number of experimental repetitions significantly affected the ASCA results. Increasing repetitions led to decreases in the percentage effect variance values and an increase in the percentage residual variance. However, secondary sexual dimorphism, light availability, and their interaction effects became more significant with decreasing p-values at or above the 95% confidence level. The choice of a solvent extractor significantly affects the chemical profile and can lead to distinct conclusions regarding the significance of effect values. Pure solvents yielded different conclusions about the significance of factorial design effects, with each solvent extracting unique metabolites and maximizing information for specific effects. However, the use of binary solvent mixtures, such as ethanol-dichloromethane, proved more efficient in extracting sets of compounds that simultaneously differentiate between different experimental conditions. The mixture design-fingerprint strategy provided satisfactory results expanding the range of extracted metabolites with high percentage of residual variances and low explained percentage effect variances in the ASCA models. Ternary and even higher-ordered mixtures could be good alternative extracting media for work-intensive procedures. Our study underscores the significance of experimental design and solvent selection in metabolomic analysis, improving the accuracy, robustness, and interpretability of metabolomic models, leading to a better understanding of the chemical composition and biological implications of plant extracts. (AU) | |
| FAPESP's process: | 18/25207-0 - Nanometallomics applied to soybean cultivation for studying the effects of metal-related nanoparticles |
| Grantee: | Marco Aurelio Zezzi Arruda |
| Support Opportunities: | Research Projects - Thematic Grants |
| FAPESP's process: | 20/10246-0 - Nuclear magnetic resonance spectroscopy: from pulse sequences to structural assignments |
| Grantee: | Claudio Francisco Tormena |
| Support Opportunities: | Research Projects - Thematic Grants |
| FAPESP's process: | 22/14697-2 - Enantiodiscrimination by MAD NMR using a chromatographic chiral stationary |
| Grantee: | Maria de Fátima Costa Santos |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |
| FAPESP's process: | 20/11463-5 - Extractor solvent-detector optimization of plant responses to environmental impacts: an integrated factorial design, mixture design and ANOVA: simultaneous component analysis strategy |
| Grantee: | Gustavo Galo Marcheafave |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |
| FAPESP's process: | 20/16038-0 - NMR applied to soybean cultivation metabolomics in the absence and presence of nanoparticles |
| Grantee: | Amanda Lemos Quintela |
| Support Opportunities: | Scholarships in Brazil - Doctorate (Direct) |