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1.
Phys Chem Chem Phys ; 25(28): 19139-19146, 2023 Jul 19.
Artigo em Inglês | MEDLINE | ID: mdl-37431288

RESUMO

We investigate the structural, magnetic, electronic and optical properties of a transition metal-doped GaTeCl monolayer, denoted as M@GaTeCl (M = V, Cr, Mn, Fe and Co), by using first-principles calculations. It is found that the magnetic ground state can be regulated by different M elements. In the meantime, the electronic structure is different with the doping of different M metal atoms, and thus the optical absorption changes correspondingly. The electronic calculations of M@GaTeCl suggest that V@GaTeCl, Cr@GaTeCl, Mn@GaTeCl and Fe@GaTeCl are semiconductors and the magnetic ground states are G-type antiferromagnetic (AFM), C-type AFM, A-type AFM and C-type AFM order, respectively, while Co@GaTeCl is a metal and the ground state is ferromagnetic (FM) order. The different magnetic ground states are discussed with the Heisenberg model. The rough estimation of the ferroelectric polarization value of M@GaTeCl suggests that M@GaTeCl still exhibits multiferroicity. The electronic structure is explained by the projected density of states, band structure and decomposed charge of the valence band maximum (VBM) and conduction band minimum (CBM). Simultaneously, the absorption coefficient calculations indicate that M@GaTeCl absorption shows anisotropic properties, as the same as in a pure GaTeCl monolayer, there exists enhanced visible light absorption in these M@GaTeCl monolayers relative to the pure GaTeCl one, which can be interpreted by the anisotropic structure and by the peculiar electronic structure. Thus, we found that the magnetic ground state, the electronic structure, and the absorption coefficient of M@GaTeCl can be tuned by doping different transition metal M atoms, and the ferroelectricity is still retained, which makes M@GaTeCl a potential multifunctional material in spintronics and optics.

2.
Foods ; 12(6)2023 Mar 17.
Artigo em Inglês | MEDLINE | ID: mdl-36981210

RESUMO

Ginger is one of the most popular spices and medical herbs with its unique pungent flavour and taste. Although there has been much research into the drying methods of ginger, the effect of drying parameters in hot air convective drying on ginger quality needs to be explored in depth. This study investigated the differences in drying behaviour and quality characteristics of ginger with the variables of temperature, thickness, and loading density. The moisture states and diffusion pattern in the different stages during the drying process were analysed using low-field NMR techniques. The results of quality evaluation showed that the temperature greatly influenced the colour and gingerol content of dried ginger, and the thickness of a ginger slice greatly influenced the rehydration rate. Optimal drying conditions were determined by considering a combination of specific energy consumptions with quality retention based on the response surface methodology: a temperature of 66.41 °C, thickness of 2 mm, and loading density of 5 kg/m2. HS-GC-IMS combined with multivariate chemometrics was used to achieve the characterisation of flavour profiles and fingerprinting of dried ginger. The principal component analysis and correlation analysis revealed that the alterations in ginger quality were intimately related to moisture diffusion during drying.

3.
Food Res Int ; 140: 109957, 2021 02.
Artigo em Inglês | MEDLINE | ID: mdl-33648209

RESUMO

The specific chemical bond changes of green pigment formed in garlic discoloration were investigated in our study. Multiple analysis methods were used in the degradation of pigment, including ultraviolet-visible (UV-Vis) spectrophotometry, attenuated total reflection Fourier transform infrared (ATR-FTIR) and Fourier transform infrared near infrared (FT-NIR). Green pigments were treated at 40 °C for 7 days in the pH range of 5.0-8.0. Principal component analysis of the ATR-FTIR and FT-NIR spectra indicated the similarities and differences during pigment degradation. It was found that the degradation degree of green pigments in a solution with pH 5.0 was the lowest. Changes in the absorptions of CO, COO-, CN, CN, OCOCH, COC, COOH, and NH bonds vibrations are attributed to the decomposition of the pigments. The absorption at 5170 cm-1 (NH bond first overtone) and 4871 cm-1 (OCH stretching) correlated to pigment degradation were confirmed by FT-NIR spectra. One proposed pathway of the pigment decomposition was explored.


Assuntos
Alho , Concentração de Íons de Hidrogênio , Espectroscopia de Infravermelho com Transformada de Fourier
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