Theoretical prediction of structure,electronic and optical properties of VH2 hydrogen storage material

The vanadium hydrides have better hydrogen storage capacity in comparison to the other metal hydrides. Although the structure of VH₂ hydride has been reported, the structural stability, electronic and optical properties of VH₂ hydride are unclear. To solve these problems, we apply the first-principles method to study the structural stability, electronic and optical properties of VH₂ hydrides. Similar to the metal dihydrides, four possible VH₂ hydrides such as the cubic (Fm-3m), tetragonal (I4/mmm), tetragonal (P4₂/mnm) and orthorhombic (Pnma) are designed. The result shows that the cubic VH₂ hydride is a thermodynamic and dynamical stability. In particular, the tetragonal (I4/mmm) and the orthorhombic (Pnma) VH₂ hydrides are firstly predicted. It is found that these VH₂ hydrides show metallic behavior. The electronic interaction of V (d-state)-H (s-state) is beneficial to improve the hydrogen storage in VH₂ hydride. In addition, the formation of V–H bond can improve the structural stability of VH₂ hydride. Based on the analysis of optical properties, it is found that all VH₂ hydrides show the ultraviolet response. Compared to the tetragonal and orthorhombic VH₂ hydrides, the cubic VH₂ hydride has better storage optical properties. Therefore, we believe that the VH₂ hydride is a promising hydrogen storage material.     

Inhibitory effects of curcumin and piperine on fluorescent advanced glycation end products formation in a bovine serum albumin–fructose model

This study investigated the inhibitory effects of curcumin and piperine on fluorescent advanced glycation end products (fAGEs) formation in a bovine serum albumin (BSA)–fructose model. Model systems of BSA and fructose were prepared, and curcumin or piperine was added. fAGEs and BSA oxidation product (dityrosine, kynurenine and N'-formylkynurenine) contents were determined. The results showed that fAGEs content decreased with increasing concentration of curcumin and piperine (P < 0.05). Addition of curcumin and piperine at 160 µg mL⁻¹ could inhibit fluorescent AGEs by 100% and 93% respectively. Dityrosine and N'-formylkynurenine contents decreased as curcumin and piperine concentration increased (P < 0.05). Furthermore, the result of principal component analysis indicated that curcumin and piperine markedly impeded BSA oxidation, resulting in a lower level of fAGEs in model systems. Therefore, adding curcumin and piperine may facilitate reduced fAGEs levels in BSA–fructose model.     

A dotted nanowire arrayed by 5 nm sized palladium and nickel composite nanopaticles showing significant electrocatalytic activity towards ethanol oxidation reaction (EOR)

To the best of our knowledge, this is the first time to report the preparation of a dotted nanowire arrayed by 5 nm sized palladium and nickel composite nanoparticles (denoted as Pd_xNi_y NPs) via a hydrothermal method using NU and PdO·H₂O as the starting materials. The samples prepared at the mass ratio of NU to PdO·H₂O 1:1, 1:2 and 2:1 were, respectively, nominated as catalyst c₁, c₂ and c₃. The chemical compositions of all synthesized catalysts were mainly studied by using X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS), revealing that metallic Ni was one main component of all prepared catalysts. Surprisingly, the main diffraction peaks appearing in the XRD patterns of all prepared catalysts were assigned to the metallic Ni rather than the metallic Pd. Very interestingly, as indicated by the TEM images, a large number of dotted nanowires arrayed by numerous equidistant 5 nm sized nanoparticles were distinctly exhibited in catalyst c₁. More importantly, when being used as electrocatalysts for EOR, all prepared catalysts exhibited an evident electrocatalytic activity towards EOR. In the cyclic voltammetry (CV) test, the peak current density of the forward peak of EOR on catalyst c₁ measured at 50 mV s^?1 was as high as 56.1 mA cm^?2, being almost 9 times higher than that of EOR on catalyst c₃ (6.3 mA cm^?2). Particularly, the polarized current density of EOR on catalyst c₁ at 3600 s, as indicated by the chronoamperometry (CA) experiment, was still maintained to be around 1.47 mA cm^?2, a value higher than the latest reported data of 1.3 mA cm^?2 (measured on the pure Pd/C electrode). Presenting a novel method to prepare dotted nanowires arranged by 5 nm sized nanoparticles and showing the significant eletrocatalytic activities of the newly prepared dotted nanowires towards EOR were the major contributions of this preliminary work.     

Magnetic properties and magnetoresistance effect of SnFe2O4 spinel nanoparticles: Experimental,ab initio and Monte Carlo simulation

In this contribution, SnFe₂O₄ nanoparticles were prepared by the solvothermal method, the structural properties were performed using X-Ray Diffraction (DRX) to prove the success of tin ferrite formation and to determine de crystals parameters. The size and morphological study were build using Scanning Electron Microscopy (SEM) and Transmission Electron microscopy (TEM), the results showed that the size of particles is uniform with a range of particles (5–7 nm). The magnetic properties were carried out using the SQUID device, the SnFe2O4 nanoparticles have a magnetic transition at 750 K. In addition, the hysteresis loops at low temperature displayed Ms and Mr equals to 23 emu/g and 6 emu/g, respectively. The magnetoresistance properties were investigated, the SnFe₂O₄ nanoparticles present a large magnetoresistance effect (80%). The experimental results are supplemented by model calculations utilizing density functional theory and Monte-Carlo simulations.     

Ocular conditions and dry eye due to traditional and new forms of smoking: A review

Addiction to cigarette smoking has high prevalence rates recorded worldwide. Smoking has been linked to several life-threatening systemic conditions such as cancer, heart attack and stroke, in addition to a range of ocular pathologies. In recent years, electronic cigarettes (EC) have emerged as alternatives to smoking. ECs are nicotine delivery devices which produce an aerosol by heating, rather than combusting, a liquid which contains nicotine, flavours and preservatives. This review focuses on the association of traditional and new forms of smoking with dry eye disease, contact lens wear and four other common ocular diseases: cataract, age-related macular degeneration, glaucoma and Graves’ ophthalmopathy. It is concluded that smoking and vaping appear as a risk factor for the aforementioned ocular conditions. An evidence-based, clear link between cigarette smoking, or EC vaping and ocular problems is yet to be discovered.     

A red code triggers an unintended approach motivation toward sweet ultra-processed foods: Possible implications for front-of-pack labels

Front-of-package labels (FOPL) are recommended to reduce consumer intake of ultra-processed food products (UPP). The multiple traffic-light label is one example of FOPL that indicates the content of target nutrients in products by displaying red (high), amber (medium), and/or green (low) color-coding. The red code may implicitly enhance sweetness perception and approach dispositions toward sweet UPP via cross-modal visual-taste interactions. We conducted two experiments to examine the possibility of contradictory influence of explicitly learned and implicit cross-modal associations on the emotional responses evoked by UPP pictures. In both experiments, we first explicitly associated the color codes with health-related meanings. In Experiment I (n = 78), a psychometric tool estimated the emotional responses (pleasantness and arousal ratings) evoked by UPP pictures when preceded by red, amber, or green color-codes. In Experiment II (n = 24), we recorded participants’ electrocortical brain activity to assess the early posterior negativity (EPN) component as an index of the emotional responses to UPP. The reported pleasantness (Experiment I) and the EPN amplitude (Experiment II) were greater for sweet UPP relative to salty UPP when primed with red codes but not when primed with green or amber. A red code increased positive emotions toward sweet UPP despite its explicit association with increased health-risks. Thus, the use of multiple traffic-lights might lead to an unintended implicit approach behavior toward sweet UPP. Designers, researchers, and policy makers may consider color-taste cross-modal associations when designing, testing, and applying FOPL.     

儿童用品TBT通报数据可视化预警研究

探索采用数据可视化技术分析儿童用品TBT通报数据,以可视化图形图像呈现通报热点并揭示趋势信息,提出对策与建议,助力为儿童用品产业升级、TBT预警数据分析和信息传播工作提供新思路,提高中小企业的国外市场准入机会。     

Electronic structure and absolute band edge position of tetragonal AgInS2 photocatalyst: A hybrid density functional study

Energy bands, effective mass of carriers, absolute band edge positions and optical properties of tetragonal AgInS₂ were calculated using a first-principles approach with the exchange correlation described by B3LYP hybrid functional. The results indicate that tetragonal AgInS₂ has a direct band gap of 1.93 eV, which reproduce well experimental value. Calculated effective masses of electrons and holes are both small which are beneficial to separation and migration of electron and hole pairs. This implies that AgInS₂ has good photocatalytic performance. The calculated optical characteristics indicate that AgInS₂ has a slight anisotropy for both the real and imaginary parts of the dielectric function and exhibits large optical absorption in the visible light region. Furthermore, the calculated band edge positions in (100), (010) and (001) surfaces indicate that tetragonal AgInS₂ is beneficial to the reduction and oxidation of water to hydrogen and oxygen under visible light irradiation.