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2.
RSC Adv ; 14(31): 22403-22407, 2024 Jul 12.
Artigo em Inglês | MEDLINE | ID: mdl-39010919

RESUMO

This study reports the synthesis of Cu micro-/nanosized particles through the polyol process. Cu particles were synthesized by reducing copper(ii) chloride in ethylene glycol (EG), polyvinylpyrrolidone (PVP), and potassium bromide (KBr) at low temperatures with or without the use of sodium borohydride (NaBH4).

3.
Chem Biodivers ; 20(11): e202301013, 2023 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-37749933

RESUMO

From the moss Erythrodontium julaceum Paris growing in Vietnam, julacelide (1), a new 3-benzylphthalide, along with methyl orsellinate (2), ethyl orsellinate (3), 4-O-methylhaematommic acid (4), and zeorin (5), were isolated and structurally elucidated. Their chemical structures were elucidated through extensive 1D and 2D NMR analysis and high-resolution mass spectroscopy as well as through comparisons to the existing literature. Compound 4-O-methylhaematommic acid was a new natural product. The absolute configuration of julacelide was defined using time-dependent density functional theory (TDDFT) calculations. Julacelide was evaluated for α-glucosidase inhibition.


Assuntos
alfa-Glucosidases , Estrutura Molecular , Espectroscopia de Ressonância Magnética , Espectrometria de Massas , alfa-Glucosidases/metabolismo , Teoria da Densidade Funcional
4.
ACS Omega ; 8(17): 15031-15040, 2023 May 02.
Artigo em Inglês | MEDLINE | ID: mdl-37151498

RESUMO

In this study, Wedelolactone's multitarget activity against Alzheimer's disease was examined using density functional theory and molecular docking techniques. At physiological pH, the pK a and molar fractions have been estimated. The most likely relative rate constants of two radical scavenger mechanisms are formal hydrogen transfer in a lipid environment and single-electron transfer in a water solvent. Compared to Trolox (k overall = 8.96 × 104 M-1 s-1), Wedelolactone (k overall = 4.26 × 109 M-1 s-1) is more efficient in scavenging the HOO• radical in an aqueous environment. The chelation capacity of metals was investigated by examining the complexation of the Cu(II) ion at various coordination positions and calculating the complexation kinetic constants. Furthermore, molecular docking simulations showed that the known forms of Wedelolactone at physiological pH effectively inhibited the AChE and BChE enzymes by comparing their activity to that of tacrine (control). Wedelolactone is a promising drug candidate for Alzheimer's disease therapy in light of these findings.

5.
Acta Biotheor ; 62(3): 339-53, 2014 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-24833401

RESUMO

We consider a fishery model with two sites: (1) a marine protected area (MPA) where fishing is prohibited and (2) an area where the fish population is harvested. We assume that fish can migrate from MPA to fishing area at a very fast time scale and fish spatial organisation can change from small to large clusters of school at a fast time scale. The growth of the fish population and the catch are assumed to occur at a slow time scale. The complete model is a system of five ordinary differential equations with three time scales. We take advantage of the time scales using aggregation of variables methods to derive a reduced model governing the total fish density and fishing effort at the slow time scale. We analyze this aggregated model and show that under some conditions, there exists an equilibrium corresponding to a sustainable fishery. Our results suggest that in small pelagic fisheries the yield is maximum for a fish population distributed among both small and large clusters of school.


Assuntos
Pesqueiros , Peixes/fisiologia , Biologia Marinha , Migração Animal , Animais , Modelos Teóricos
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