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1.
Artigo em Inglês | MEDLINE | ID: mdl-29916823

RESUMO

Typographical errors are present in the Table 2 of the paper stated above. The correct table is give below. All numerical results and conclusions of the paper remains unchanged.

2.
J Phys Condens Matter ; 29(10): 105801, 2017 Mar 15.
Artigo em Inglês | MEDLINE | ID: mdl-28145278

RESUMO

In this work, we comparatively explored the electronic structure and the low-dimensional magnetic interactions of double-perovskite compounds Sr2CuTeO6 and Sr2CuWO6 through first-principles calculations. The electronic structure calculations indicate that the Cu2+ (3d 9) site is the only magnetic active one, whereas Te6+ and W6+ remain in nonmagnetic states with d 10 and d 0 electronic configurations, respectively. The magnetic exchange interactions have been evaluated on the basis of the classical Heisenberg model. Both Sr2CuTeO6 and Sr2CuWO6 should be strong frustrated 2D magnetism, in excellent agreement with the experimental observations. Nevertheless, the nearest-neighbor antiferromagnetic interaction J 1 plays a determined role in constructing the Néel antiferromagnetic ordering within the square Cu2+ framework of Sr2CuTeO6. While, the next-nearest-neighbor antiferromagnetic interaction J 2 transcends the nearest-neighbor interaction J 1, establishes the collinear antiferromagnetic ordering in Sr2CuWO6. The discrimination has been explored and analyzed in detail using density of states, charge density as well as spin density analysis.

3.
Int J Biol Macromol ; 103: 316-326, 2017 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-28522398

RESUMO

In this study, synthesis and physicochemical properties of starch acetate with low substitution under microwave were studied. A three-level-three-factorial Central Composite Design using Response Surface Methodology (RSM) was employed to optimize the reaction conditions. The optimal parameters are as follows: amount of acetic anhydride of 12%, radiation time of 11min, and microwave power of 100W. These optimal conditions predicted by RSM were confirmed that the degree of substitution (DS) of acetate starch is 0.0691mg/g and the physical and chemical properties of natural corn starch (NCS) and corn starch acetate (ACS) were further studied.The transparency, water separation, water absorption, expansion force, and solubility of ACS low substitution are better than NCS, while the NCS's hydrolysis percentage is higher than ACS, which indicate that the modified corn starch has better performance than native corn starch. The surface morphology of the corn starch acetate was examined by scanning electron microscope (SEM), which showed that it had a smooth surface and a spherical and polygonal shape. However, samples' shape is irregular. Crystal structure was observed by X-ray diffraction, and the ACS can determine the level of microwave technology that can destroy the extent of the crystal and amorphous regions. Fourier transform infrared (FTIR) spectroscopy shows that around 1750cm-1 carbonyl signal determines acetylation bonding successfully.


Assuntos
Fenômenos Químicos , Micro-Ondas , Amido/análogos & derivados , Técnicas de Química Sintética , Hidrólise , Plásticos/química , Amido/síntese química , Amido/química
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