Abstract The polyphenolic composition of the same variety winter jujube was determined using ultra-performance liquid chromatography–mass spectrometry (UPLC–MS/MS). A metabolomic approach employed to determine polyphenols at different developmental stages (S1, S2, and S3). total phenolic content Chinese quantified, metabolites were statistically analyzed orthogonal partial least squares discrim...

This paper proposes a novel orthogonal predictive local search (OPLS) to enhance the performance of the conventional genetic algorithms. OPLS operation predicts the most promising direction for the individuals to explore their neighborhood. It uses the orthogonal design method to sample orthogonal combinations to make the prediction. The resulting algorithm is termed the orthogonal predictive g...

1 Purpose: Metabolomics depicts metabolic changes in biological systems using a 2 multiparametric analysis technique. This study assessed the metabolomic profiles of 3 serum, obtained by proton NMR spectroscopy, from cirrhotic patients with and without 4 hepatocellular carcinoma (HCC). Experimental Design: The study included 154 5 consecutive patients with compensated biopsy-proven alcoholic ci...

Long-term endurance exercise severely affects metabolism in both human and animal athletes resulting in serious risk of metabolic disorders during or after competition. Young horses (up to 6 years old) can compete in races up to 90 km despite limited scientific knowledge of energetic metabolism responses to long distance exercise in these animals. The hypothesis of this study was that there wou...

PURPOSE Metabolomics depicts metabolic changes in biologic systems using a multiparametric analysis technique. This study assessed the metabolomic profiles of serum, obtained by proton nuclear magnetic resonance (NMR) spectroscopy, from cirrhotic patients with and without hepatocellular carcinoma (HCC). EXPERIMENTAL DESIGN The study included 154 consecutive patients with compensated biopsy-pr...

Simulações de Monte Carlo foram realizadas para soluções aquosas concentradas de uréia nas concentrações de 4, 5, 6, 7 e 8 mol L no ensemble NpT a 298 K e 1 atm. As superfícies de energia potencial foram representadas pela soma dos potenciais clássicos de Coulomb e de Lennard-Jones, nos quais a aditividade de pares foi considerada. Nas simulações a água foi descrita pelo modelo TIP4P e a uréia ...

We explore some aspects of the microscopic structure curcumin solutions with water-dimethylsulfoxide solvent variable composition. Molecular dynamics computer simulations at isobaric-isothermal conditions are used for this purpose. The model consists OPLS-UA type enol conformer (J. Mol. Liq., 223, 707, 2016), OPLS dimethylsulfoxide (DMSO) and SPC/E water model. Radial distributions centers mass...