| Texto completo | |
| Autor(es): |
Duarte, Leonardo J.
;
Marcheafave, Gustavo G.
;
Pauli, Elis D.
;
Scarminio, Ieda S.
;
Bruns, Roy E.
Número total de Autores: 5
|
| Tipo de documento: | Artigo Científico |
| Fonte: | CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; v. 269, p. 7-pg., 2025-12-23. |
| Resumo | |
Two level factorial design spectra can be transformed into t spectral representations to analyze changes in metabolic abundances owing to environmental impacts. This transformation involves performing statistically paired t-test for each spectroscopic variable. These tests are sensitive to deviations from normality of the spectral data as well as heterogeneous variances of data at different factorial design levels. Although existing spectral information for metabolites can help guide interpretive efforts, permutation calculations can be performed to obtain statistical significance and t values of metabolic peaks that are expected to be less sensitive to these assumptions. The results of these calculations are reported here and compared with results from parametric statistical values for 13,501 NMR spectral variables for two level factorial design data of ethanol, dichloromethane and ethanol-dichloromethane (1:1) mixture extracts of yerba mate leaf samples. All t-representation peaks found to be statistically significant by parametric calculations are confirmed by the permutation calculations. Permutation results do not indicate any new significant peaks that were not predicted by the parametric results. As such, permutation calculations are recommended to validate results obtained from parametric determinations of statistical significance. (AU) | |
| Processo FAPESP: | 20/11463-5 - Otimização do solvente extrator-detector das respostas metabólicas da planta aos impactos ambientais: uma estratégia integrada de planejamento fatorial, planejamento de misturas e ANOVA: análise de componentes simultânea |
| Beneficiário: | Gustavo Galo Marcheafave |
| Modalidade de apoio: | Bolsas no Brasil - Pós-Doutorado |
| Processo FAPESP: | 22/09269-1 - Transformações químicas induzidas por infravermelho: Mecanismos de reação, fatores eletrônicos, energéticos e topológicos. |
| Beneficiário: | Leonardo José Duarte |
| Modalidade de apoio: | Bolsas no Brasil - Pós-Doutorado |