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1.
Magn Reson Chem ; 56(2): 86-94, 2018 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-28499327

RESUMO

We conduct a comparative study of conductivity and diffusion coefficient of two dicationic ionic liquids (3,3'-(octane-1,8-diyl)bis(1-ethyl-3-imidazolium) bis(trifluoromethylsulfonyl)amide ([IMCI][TFSI], S1) and 3,3'-(2,2'-(ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(1-ethyl-3-imidazolium) bis(trifluoromethylsulfonyl)amide ([IMOI][TFSI], S2)) at various temperatures. The diffusion coefficients of cation and anion in ionic liquids are determined by using pulse gradient spin-echo nuclear magnetic resonance method. S2 shows lower viscosity, higher conductivity, and higher diffusion coefficient than those of S1. Moreover, the influence of polyethyleneglycol (PEG200, Mw  = 200) addition in PEG200/IL binary solutions is investigated. PEG200/S1 binary solutions show lower viscosity, higher conductivity, and higher diffusion coefficient than those of neat S1. The experimental molar conductivity (Λ) of neat IL and PEG200/IL binary solutions is lower than that of the calculated molar conductivity (ΛNMR ) from pulse gradient spin-echo nuclear magnetic resonance method at various temperatures, indicating that not all the diffusion species belong to the ionic conduction. In other words, NMR diffusion measurements comprise charged and paired (without charge) ions. Copyright © 2017 John Wiley & Sons, Ltd.

2.
Int J Mol Sci ; 12(9): 5828-43, 2011.
Artigo em Inglês | MEDLINE | ID: mdl-22016629

RESUMO

A quantitative determination method of N-acetyl-d-glucosamine (GlcNAc) and N,N'-diacetylchitobiose (GlcNAc)(2) is proposed using a proton nuclear magnetic resonance experiment. N-acetyl groups of GlcNAc and (GlcNAc)(2) are chosen as target signals, and the deconvolution technique is used to determine the concentration of the corresponding compound. Compared to the HPLC method, (1)H-NMR spectroscopy is simple and fast. The method can be used for the analysis of chitin hydrolyzed products with real-time analysis, and for quantifying the content of products using internal standards without calibration curves. This method can be used to quickly evaluate chitinase activity. The temperature dependence of (1)H-NMR spectra (VT-NMR) is studied to monitor the chemical shift variation of acetyl peak. The acetyl groups of products are involved in intramolecular H-bonding with the OH group on anomeric sites. The rotation of the acetyl group is closely related to the intramolecular hydrogen bonding pattern, as suggested by the theoretical data (molecular modeling).


Assuntos
Acetilglucosamina/análise , Quitina/química , Dissacarídeos/análise , Espectroscopia de Prótons por Ressonância Magnética/métodos , Acetilglucosamina/química , Configuração de Carboidratos , Quitina/metabolismo , Quitinases/metabolismo , Cromatografia Líquida de Alta Pressão , Dissacarídeos/química , Ligação de Hidrogênio , Hidrólise , Modelos Moleculares , Estrutura Molecular , Reprodutibilidade dos Testes , Temperatura
3.
Int J Mol Sci ; 11(1): 329-53, 2010 Jan 22.
Artigo em Inglês | MEDLINE | ID: mdl-20162019

RESUMO

New organic dyes comprising carbazole, iminodibenzyl, or phenothiazine moieties, respectively, as the electron donors, and cyanoacetic acid or acrylic acid moieties as the electron acceptors/anchoring groups were synthesized and characterized. The influence of heteroatoms on carbazole, iminodibenzyl and phenothiazine donors, and cyano-substitution on the acid acceptor is evidenced by spectral, electrochemical, photovoltaic experiments, and density functional theory calculations. The phenothiazine dyes show solar-energy-to-electricity conversion efficiency (eta) of 3.46-5.53%, whereas carbazole and iminodibenzyl dyes show eta of 2.43% and 3.49%, respectively.


Assuntos
Corantes/química , Corantes/síntese química , Eletricidade , Eletroquímica , Modelos Moleculares , Modelos Teóricos , Conformação Molecular , Energia Solar
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