BackgroundDiagnosis of liver involvement due to schistosomiasis in asymptomatic patients from endemic areas previously diagnosed with chronic hepatitis B (HBV) or C (HCV) and periportal fibrosis is challenging. H-1 Nuclear Magnetic Resonance (NMR)-based metabonomics strategy is a powerful tool for providing a profile of endogenous metabolites of low molecular weight in biofluids in a non-invasive way. The aim of this study was to diagnose periportal fibrosis due to schistosomiasis mansoni in patients with chronic HBV or HCV infection through NMR-based metabonomics models.Methodology/Principal findingsThe study included 40 patients divided into two groups: (i) 18 coinfected patients with schistosomiasis mansoni and HBV or HCV; and (ii) 22 HBV or HCV monoinfected patients. The serum samples were analyzed through H-1 NMR spectroscopy and the models were based on Principal Component Analysis (PCA) and Partial Least Squares—Discriminant Analysis (PLS-DA). Ultrasonography examination was used to ascertain the diagnosis of periportal fibrosis. Exploratory analysis showed a clear separation between coinfected and monoinfected samples. The supervised model built from PLS-DA showed accuracy, R2 and Q2 values equal to 100%, 98.1% and 97.5%, respectively. According to the variable importance in the projection plot, lactate serum levels were higher in the coinfected group, while the signals attributed to HDL serum cholesterol were more intense in the monoinfected group.Conclusions/SignificanceThe metabonomics models constructed in this study are promising as an alternative tool for diagnosis of periportal fibrosis by schistosomiasis in patients with chronic HBV or HCV infection from endemic areas for Schistosoma mansoni.
A new family of air-stable Re and Mn complexes bearing bidentate NNS (ENENES) ligands with the general formula E(CH 2 ) 2 NH(CH) 2 SR (E = −NC 4 H 8 O or −NC 5 H 10 , R = Ph or thiophenyl) is introduced. All Re and Mn complexes were catalysts for the hydrogenation of aldehydes. The Mn catalysts were active at milder conditions. A rhenium−hydride complex, featuring cis Re−H and N− H moieties, was isolated to provide an insight into the mechanism for this reaction. DFT (B3PW91-D3) and experimental data suggest that there are two pathways for this system, with and without the presence of the base (t-BuOK). The pathway that included t-BuOK was lower in energy, providing a greater driving force for the overall reaction.
O objetivo deste estudo foi identificar alterações na atividade das enzimas hepáticas (ALT, AST e GGT) devido à infecção pelos vírus da hepatite B (HBV) ou C (HCV), em uma única amostra de soro, por meio de modelos metabonômicos baseados em espectroscopia de Ressonância Magnética Nuclear de hidrogênio (RMN de 1 H). Foram incluídos 203 pacientes adultos previamente diagnosticados com monoinfecção pelo HBV (n=117) ou HCV (n=86). Os espectros de RMN foram obtidos utilizando o espectrômetro VARIAN Unity Plus 300, enquanto os níveis de atividade enzimática por método cinético automatizado, que foram tidos como padrão-ouro. Os modelos foram construídos usando Análise Discriminante por Projeção Ortogonal de Estruturas Latentes (OPLS-DA), na plataforma MetaboAnalyst 3.6. São três modelos para avaliação da atividade enzimática, independentemente do tipo de vírus relacionado à infecção: (1) ALT; (2) AST; e (3) GGT. O modelo ALT apresentou sensibilidade (Sn) de 95,4%, especificidade (Sp) de 93,9% com maior concentração de carboidratos e menores níveis de HDL e LDL, aminoácidos e espécies insaturadas e aromáticas no grupo com ALT elevada. Acurácia semelhante foi encontrada para o modelo AST, com Sn=95,5%, Sp=96,5% e atividade elevada de AST também associada a maiores concentrações de carboidratos e menores níveis de aminoácidos. O modelo para GGT não foi discriminante. Portanto, os modelos construídos identificaram alterações nas atividades de AST e ALT e as classes de compostos associadas à discriminação, usando um único espectro de RMN de 1 H e representando mais uma aplicação da metabonômica para avaliar a doença hepática nesses pacientes.
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