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91.
Karina Muñoz-Becerra Nery Villegas-Escobar César Zúñiga-Loyola Diego Cortés-Arriagada 《Molecular physics》2019,117(9-12):1451-1458
ABSTRACTAurones are potential candidates to be employed as fluorescent probes or as pharmacophores for biological applications. This work describes a density functional theory (DFT) and time-dependent -DFT study at the PBE0/6-31?+?G(d) level of theory to analyse the structural, electronic and photophysical properties of a series of new proposed 4′-amine-aurone derivatives in its E and Z isomeric conformations. The maximum absorption wavelength of the proposed aurones appears in the range 390???514?nm, while the most allowed emission pathways were computed in the range 493–530?nm. The bathochromic shift of these compounds with respect to the non-substituted aurone is modulated by the acceptor strength of the added 4-substituents, in addition to the ability of the substituents to localise the frontier molecular orbitals over the acceptor benzofuranone moiety without losing the tricyclic planarity, which favours the push–pull nature of these molecules. The influence of the 4-substituent is also evidenced in the Stokes shifts for the whole series; as the electron-withdrawing character of the 4-substituents enhances, higher is the polarisation of the structure resulting in higher Stokes shifts. As a result, -CF3 and -NO2 substituents were responsible of larger Stokes shifts, then compounds containing these substituents are proposed as potential fluorescence probes for useful applications in biological systems. 相似文献
92.
Diego Grandi 《Zeitschrift für Angewandte Mathematik und Physik (ZAMP)》2013,64(6):1611-1624
We propose a phase field model for the solid–liquid phase transition in a water-salt (sodium chloride) solution in the absence of macroscopic motion, under possibly non-isothermal conditions. A thermodynamic approach based on a free energy functional is assumed. The model consists of three evolution equations: a time-dependent Ginzburg–Landau equation for the solid–liquid phase change, a diffusion equation of the Cahn–Hilliard kind for the solute dynamics and the heat equation for the temperature change. The proposed system is aimed to contribute to the modelling of the brine channels formation in the ice of the polar seas. 相似文献
93.
Carlos Banquet Lucas C. F. Ferreira Élder J. Villamizar‐Roa 《Mathematical Methods in the Applied Sciences》2017,40(15):5613-5618
We consider a semilinear wave equation with nonlinear damping in the whole space . Local‐in‐time existence and uniqueness results are obtained in the class of Bessel‐potential spaces . Copyright © 2017 John Wiley & Sons, Ltd. 相似文献
94.
Luis Miguel Buelvas-Puello Gabriela Franco-Arnedo Hugo A. Martínez-Correa Diego Ballesteros-Vivas Andrea del Pilar Snchez-Camargo Diego Miranda-Lasprilla Carlos-Eduardo Narvez-Cuenca Fabin Parada-Alfonso 《Molecules (Basel, Switzerland)》2021,26(24)
Phenolic compounds from mango (M. indica) seed kernels (MSK) var. Sugar were obtained using supercritical CO2 and EtOH as an extraction solvent. For this purpose, a central composite design was carried out to evaluate the effect of extraction pressure (11–21 MPa), temperature (40–60 °C), and co-solvent contribution (5–15% w/w EtOH) on (i) extraction yield, (ii) oxidative stability (OS) of sunflower edible oil (SEO) with added extract using the Rancimat method, (iii) total phenolics content, (iv) total flavonoids content, and (v) DPPH radical assay. The most influential variable of the supercritical fluid extraction (SFE) process was the concentration of the co-solvent. The best OS of SEO was reached with the extract obtained at 21.0 MPa, 60 °C and 15% EtOH. Under these conditions, the extract increased the OS of SEO by up to 6.1 ± 0.2 h (OS of SEO without antioxidant, Control, was 3.5 h). The composition of the extract influenced the oxidative stability of the sunflower edible oil. By SFE it was possible to obtain extracts from mango seed kernels (MSK) var. Sugar that transfer OS to the SEO. These promissory extracts could be applied to foods and other products. 相似文献
95.
Nieto-Oberhuber C López S Muñoz MP Jiménez-Núñez E Buñuel E Cárdenas DJ Echavarren AM 《Chemistry (Weinheim an der Bergstrasse, Germany)》2006,12(6):1694-1702
Gold(I) complexes are the most active catalysts for the biscyclopropanation of dienynes to form tetracyclic compounds. PtII and ZnII are also able to promote the biscyclopropanation, although less efficiently. The configurations obtained in all cases with the use of gold(I) catalysts can be explained by the pathway proceeding through anti cyclopropyl gold carbenes. Similar intermediates are most probably involved in reactions catalyzed by RuII and PtII. Two different cyclopropanation pathways have been found; they depend on the structures of the cyclopropyl gold carbenes (anti or syn) and the relative arrangements of the metal carbenes and the alkenes. 相似文献
96.
Mauro Vaccaro Gaetano Mangiapia Antonella Accardo Diego Tesauro Eliana Gianolio Henrich Frielinghaus Giancarlo Morelli Luigi Paduano 《Colloid and polymer science》2008,286(14-15):1643-1652
Two novel amphiphilic unimers containing an aliphatic hydrophobic chain (PDA) with two C≡C triple bonds and hydrophilic heads presenting the chelating agent DTPAGlu and the CCK8 bioactive peptide, respectively, have been prepared by solid phase synthesis. Aggregates obtained by mixing together PDA-DTPAGlu, or its Gd(III) complex, and PDA-L2-CCK8 in 70/30 molar ratio before and after a polymerization process carried out by UV irradiation have been structurally characterized by means of small angle neutron scattering. The relaxivity properties of aggregates containing Gadolinium complexes have also been investigated. Elongated mixed micelles have been observed, in which the relaxivity value r 1p for each Gadolinium complex, measured at 20 MHz and 298 K, is around 12 mM–1 s–1. 相似文献
97.
Water-soluble Co (III) and Co (II) complexes with P- or N-coordinated PTA or PTA oxide ligands, respectively, have been prepared and fully characterized, constituting the first examples of cobalt compounds bearing PTA or any ligand with a cage-like PTA core, the latter complex providing also the first PTA oxide coordination to a metal center. 相似文献
98.
Priscila I. Soares Thaís M. Lima Luiza. A. do Nascimento Rafael M. Coelho Diego L. Franco Arnaldo C. Pereira Lucas F. Ferreira 《Electroanalysis》2023,35(5):e202200302
Caffeic acid (CA)-modified graphite electrodes [GE/poly(CA)] was applied to the co-detection of copper and lead in artisanal sugarcane spirit using square-wave anodic stripping voltammetry (SWASV). Electrochemical and morphological studies were performed, and a mechanism for polymerization was proposed. Electropolymerization, SWASV, and analysis conditions parameters were optimized. Interferents, repeatability, reproducibility, and addition and recovery tests were carried out. GE/poly(CA) shows a linear range from 15 to 705 μg/L with a limit of detection of 3.01 μg/L for Pb(II) and 4.50 μg/L for Cu(II). Real samples of artisanal sugarcane spirit were used, and the electrochemical results were compared with atomic absorption spectroscopy experiments. 相似文献
99.
Diego Alberto Lomelí-Rosales Adalberto Zamudio-Ojeda Oscar Kevin Reyes-Maldonado Morelia Eunice Lpez-Reyes Georgina Cristina Basulto-Padilla Edgar Jos Lopez-Naranjo Víctor Manuel Zuiga-Mayo Gilberto Velzquez-Jurez 《Molecules (Basel, Switzerland)》2022,27(5)
So far, several studies have focused on the synthesis of metallic nanoparticles making use of extracts from the fruit of the plants from the genus Capsicum. However, as the fruit is the edible, and highly commercial, part of the plant, in this work we focused on the leaves, a part of the plant that is considered agro-industrial waste. The biological synthesis of gold (AuNPs) and silver (AgNPs) nanoparticles using aqueous extracts of root, stem and leaf of Capsicum chinense was evaluated, obtaining the best results with the leaf extract. Gold and silver nanoparticles synthesized using leaf extract (AuNPs-leaf and AgNPs-leaf, respectively) were characterized by UV-visible spectrophotometry (UV-Vis), Fourier Transform Infrared Spectroscopy with Attenuated Total Reflection (FTIR-ATR), X-ray Photoelectron Spectroscopy (XPS), Ultra Hight Resolution Scanning Electron Microscopy coupled to Energy-Dispersive X-ray spectroscopy (UHR-SEM-EDX) and Transmission Electron Microscopy (TEM), and tested for their antioxidant and antimicrobial activities. In addition, different metabolites involved in the synthesis of nanoparticles were analyzed. We found that by the use of extracts derived from the leaf, we could generate stable and easy to synthesize AuNPs and AgNPs. The AuNPs-leaf were synthesized using microwave radiation, while the AgNPs-leaf were synthesized using UV light radiation. The antioxidant activity of the extract, determined by ABTS, showed a decrease of 44.7% and 60.7% after the synthesis of the AuNPs-leaf and AgNPs-leaf, respectively. After the AgNPs-leaf synthesis, the concentration of polyphenols, reducing sugars and amino acids decreased by 15.4%, 38.7% and 46.8% in the leaf extract, respectively, while after the AuNPs-leaf synthesis only reducing sugars decreased by 67.7%. These results suggest that these groups of molecules are implicated in the reduction/stabilization of the nanoparticles. Although the contribution of these compounds in the synthesis of the AuNPs-leaf and the AgNPs-leaf was different. Finally, the AgNPs-leaf inhibited the growth of S. aureus, E. coli, S. marcescens and E. faecalis. All of them are bacterial strains of clinical importance due to their fast antibiotic resistance development. 相似文献
100.
Córdova A Sundén H Xu Y Ibrahem I Zou W Engqvist M 《Chemistry (Weinheim an der Bergstrasse, Germany)》2006,12(21):5446-5451
The origins of biological homochirality have intrigued researchers since Pasteur's discovery of the optical activity of biomolecules. Herein, we propose and demonstrate a novel alternative for the evolution of homochirality that is not based on autocatalysis and forges a direct relationship between the chirality of sugars and amino acids. This process provides a mechanism in which a racemic mixture of an amino acid can catalyze the formation of an optically active organic molecule in the presence of a sugar product of low enantiomeric excess. 相似文献