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1.
Sci Rep ; 12(1): 21314, 2022 12 09.
Article in English | MEDLINE | ID: mdl-36494472

ABSTRACT

The aging process causes changes at all organic levels. Although metabolism, cardiac autonomic modulation (CAM), and cardiorespiratory fitness (CRF) are widely studied as a function of age, they are mainly studied in isolation, thus making it difficult to perceive their concomitant variations. This study aimed to investigate the integrated changes that occur in the metabolome, CAM, and CRF throughout aging in apparently healthy individuals. The subjects (n = 118) were divided into five groups according to age (20-29, 30-39, 40-49, 50-59, and 60-70 years old) and underwent blood collection, autonomic assessment, and a cardiopulmonary exercise test for metabolomics analysis using mass spectrometry and nuclear magnetic resonance, cardiac autonomic modulation analysis, and CRF by peak oxygen consumption analysis, respectively. The Tukey's post hoc and effect size with confidence interval were used for variables with a significant one-way ANOVA effect (P < 0.01). The main changes were in the oldest age group, where the CRF, valine, leucine, isoleucine, 3-hydroxyisobutyrate, and CAM reduced and hippuric acid increased. The results suggest significant changes in the metabolome, CAM, and CRF after the age of sixty as a consequence of aging impairments, but with some changes in the metabolic profile that may be favorable to mitigate the aging deleterious effects.


Subject(s)
Cardiorespiratory Fitness , Humans , Young Adult , Adult , Autonomic Nervous System , Exercise Test/methods , Health Status , Metabolome
2.
J Nat Prod ; 83(1): 55-65, 2020 01 24.
Article in English | MEDLINE | ID: mdl-31895573

ABSTRACT

A new method of screening was developed to generate 770 organic and water-soluble fractions from extracts of nine species of marine sponges, from the growth media of 18 species of marine-derived fungi, and from the growth media of 13 species of endophytic fungi. The screening results indicated that water-soluble fractions displayed significant bioactivity in cytotoxic, antibiotic, anti-Leishmania, anti-Trypanosoma cruzi, and inhibition of proteasome assays. Purification of water-soluble fractions from the growth medium of Penicillium solitum IS1-A provided the new glutamic acid derivatives solitumine A (1), solitumine B (2), and solitumidines A-D (3-6). The structures of compounds 1-6 have been established by analysis of spectroscopic data, chemical derivatizations, and vibrational circular dichroism calculations. Although no biological activity could be observed for compounds 1-6, the new structures reported for 1-6 indicate that the investigation of water-soluble natural products represents a relevant strategy in finding new secondary metabolites.


Subject(s)
Glutamates/chemistry , Antarctic Regions , Fungi/chemistry , Molecular Structure , Penicillium/chemistry , Water
3.
Phys Chem Chem Phys ; 22(3): 1525-1533, 2020 Jan 21.
Article in English | MEDLINE | ID: mdl-31872847

ABSTRACT

Strong solute-solvent interactions have been shown to have a significant influence on the vibrational circular dichroism (VCD) spectral signatures of chiral solutes. In order to use VCD spectroscopy to determine absolute configurations, these intermolecular interactions thus need to be accounted for in spectra simulations. For hydrogen bond donating functional groups such as carboxylic acids or hydroxy groups, it has been shown that micro-solvation with a single solvent molecule is usually sufficient to model the effect of the solvent on the vibrational spectra. In the case of diols, however, solvent molecules are competing against the intramolecular hydrogen bond. Therefore, this study investigates the influence of solute-solvent interactions on the conformational preferences and VCD spectroscopic features of chiral 1,2-diols with the aim to answer the title question. We show that both mono- and twofold solvation lead to unique spectral features that can be distinguished experimentally. Furthermore, in the context of absolute configuration determinations, the results of the study suggest that it will not be possible to derive a general rule that is able to tell whether one or two solvent molecules need to be considered explicitly in the simulation of VCD spectra.

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