| Texto completo | |
| Autor(es): |
Zamora-Obando, Hans Rolando
;
Andrade, Victoria de Paula
;
Camelo, Andre Luiz Melo
;
do Santos, Flavia Bernardo
;
Dias, Aline Cristina
;
Franca, Marcondes Cavalcante
;
Simionato, Ana Valeria Colnaghi
Número total de Autores: 7
|
| Tipo de documento: | Artigo Científico |
| Fonte: | Microchemical Journal; v. 207, p. 11-pg., 2024-10-08. |
| Resumo | |
The derivatization process is critical in gas chromatography coupled to mass spectrometry-based untargeted metabolomics. This process aims to increase common non-volatile compounds' vapor pressure and thermal stability by two sequential steps: methoximation and silylation. Up to now, there are no standardized conditions for performing these reactions. In this study, we simultaneously optimized these procedures using an I-Optimal Split-plot design in serum samples of healthy individuals. The resultant two-factor interaction model performed well with R2 > 0.90 and R-2-adjusted > 0.70 in the statistical analysis. The results revealed interactions between methoximation and silylation conditions. The optimized conditions were applied for the GC-MS untargeted metabolomics analysis of serum samples of patients with inflammatory neuropathies and healthy controls. The orthogonal partial least square discriminant analysis with satisfactory cross-validation results (R-2 = 0.744, Q(2) = 0.557) determined 32 metabolites with VIP score > 1. Short- and long-chain organic acids, fatty acids, and carbohydrates were annotated as potential discriminative molecular markers. (AU) | |
| Processo FAPESP: | 20/16089-4 - Metabolômica global de neuropatias inflamatórias: busca de biomarcadores de diagnóstico e prognóstico |
| Beneficiário: | Ana Valéria Colnaghi Simionato |
| Modalidade de apoio: | Auxílio à Pesquisa - Regular |