The comparable structural,elastic anisotropic and thermophysical properties of advanced U–Si fuel to baseline UO2: a DTF method

The European Physical Journal B - Molecular dynamics and Monte Carlo methods are common measurements to study the diffusion coefficients of the fluid particles under restricted conditions. Here,...     

MWCNTs/hydroxypropyl cellulose/polyethylene glycol-based shape-stabilized phase change materials

Journal of Thermal Analysis and Calorimetry - Polyethylene glycol (PEG) is widely used as phase change materials (PCMs). However, the leakage and low thermal conductivity issues restrict its...     

Metabolite identification of tanshinol borneol ester in rats by high‐performance liquid chromatography combined with electrospray ionization quadrupole time‐of‐flight mass spectrometry

Tanshinol borneol ester (DBZ) is a potential drug candidate composed of danshensu and borneol. It shows anti‐ischemic and anti‐atherosclerosis activity. However, little is known about its metabolism in vivo. This research aimed to elucidate the metabolic profile of DBZ through analyzing its metabolites using high‐performance liquid chromatography combined with electrospray ionization quadrupole time‐of‐flight mass spectrometry. Chromatographic separation was performed on an Agilent TC‐C₁₈ column (150 × 4.6 mm, 5.0 μm) with gradient elution using methanol and water containing 0.2% (v/v) formic acid as the mobile phase. Metabolite identification involved analyzing the retention behaviors, changes in molecular weights and MS/MS fragment patterns of DBZ and its metabolites. As a result, 20 potential metabolites were detected and tentatively identified in rat plasma, urine and feces after administration of DBZ. DBZ could be metabolized to O‐methylated DBZ, DBZ‐O‐glucuronide, O‐methylated DBZ‐O‐glucuronide, hydroxylated DBZ and danshensu. Danshensu, a hydrolysis product of DBZ, could further be transformed into 12 metabolites. The proposed method was confirmed to be a reliable and sensitive alternative for characterizing metabolic pathways of DBZ and providing valuable information on its druggability.     

Multiple positive solutions for Schrödinger‐Poisson system involving singularity and critical exponent

In this paper, the existence and multiplicity of positive solutions is established for Schrödinger‐Poisson system of the form where 0 ∈ Ω is a smooth bounded domain in , , and λ > 0 is a real parameter. Combining with the variational method and Nehari manifold method, two positive solutions of the system are obtained.     

Enhanced uranium bioleaching high-fluorine and low-sulfur uranium ore by a mesophilic acidophilic bacterial consortium with pyrite

The high level of fluorine and low sulfur in the ore could significantly undermine the bioleaching effectiveness. Here, a strategy to improve the bioleaching efficiency by introducing fluoride-resistant mesophilic eosinophils coupled with pyrite supplement was investigated in a bioleaching system with such ore. The results of column and heap bioleaching showed that 89.25% and 90.40% of uranium were recovered with the consortium and pyrite addition, which increased the uranium leaching rates by 13.22% and 8.96% as compared with the sulfuric acid leaching. Hence, it provides a method to improve uranium bioleaching efficiency of the high-fluorine and low-sulfur uranium ore by the consortium adding pyrite.

     

Unified reciprocity of dithiophosphate by dichalcogenophosph(in)ate ligands on copper hydride nanoclusters via ligand exchange reaction

A structural study of ligand exchange on chalcogen‐passivated copper nanoclusters is far less developed. Herein, we report the synthesis of polyhydrido copper nanoclusters [Cu₂₀H₁₁{Se₂P(O ⁱBu)₂}₉] ( 2 ) passivated by Se‐donor ligands via ligand replacement reaction on [Cu₂₀H₁₁{S₂P(O ⁱPr)₂}₉] ( 1 ) with NH₄[Se₂P(O ⁱBu)₂]. In parallel to the synthesis of 2 , cluster [Cu₂₀H₁₁{S₂P(CH₂CH₂Ph)₂}₉] ( 4 ) was produced by the ligand exchange reaction on a new derivative of 1 , that is [Cu₂₀H₁₁{S₂P(O ⁿPr)₂}₉] ( 3 ). Solid state structures of both clusters 2 and 4 were unequivocally established by single‐crystal X‐ray diffraction studies and cluster 4 epitomizes exceptional case to preserve both the shape and size of the nanocluster during the course of ligand exchange. Structurally precise cluster 2 is the second example where the copper hydride nanocluster is stabilized by Se‐donor ligands. The anatomy of 2 can be visualized as a twisted cuboctahedral Cu₁₃ core, two triangular faces of which are capped by a Cu₆ cupola and a single Cu atom along the C₃ rotational axis.     

曲波域统计量自适应阈值探地雷达数据去噪技术

非线性、非平稳探地雷达数据常掺杂各种复杂噪声源,其对精确提取弱反射波信号、识别绕射波双曲线同相轴特征具有严重影响,忽略噪声影响给探地雷达探测数据全波形偏移成像及后续解译造成较大误差.采用传统阈值函数的曲波变换去噪需要根据数据噪声水平人为确定合理阈值控制系数.对此,本文开展自适应阈值函数的曲波变换去噪算法研究.引入块状复数域阈值函数算法,分析传统阈值函数曲波变换去噪的效果随阈值控制系数变化的规律;利用高阶统计量理论,对曲波变换系数在尺度、方向上进行相关性叠加,通过相关性统计量自适应确定有效信号在曲波变换系数分布尺度、旋转方向,由此确定清除噪声成分阈值范围,构建统计量自适应阈值函数曲波变换去噪算法.针对包含随机噪声、相关噪声合成探地雷达数据及实测探地雷达数据,采用传统阈值函数曲波变换去噪与本文提出去噪算法处理结果对比分析,检验了本文算法的有效性及可行性.研究成果对复杂探地雷达数据精确推断解译具有指导意义.     

A new streamline diffusion finite element method for the generalized Oseen problem

This paper aims to present a new streamline diffusion method with low order rectangular Bernardi-Raugel elements to solve the generalized Oseen equations. With the help of the Bramble-Hilbert lemma, the optimal errors of the velocity and pressure are estimated, which are independent of the considered parameter ε. With an interpolation postprocessing approach, the superconvergent error of the pressure is obtained. Finally,a numerical experiment is carried out to confirm the theoretical results.     

Study on the mechanism of catalytic synthesis of dimethyldichlorosilane by AlCl3/MIL‐53(Al)@γ‐Al2O3

Dimethyldichlorosilane, one of the most consumed organosilicon monomers in the industry, can be prepared in a highly efficient and environmentally friendly synthesis method of disproportionating methylchlorosilanes. However, the internal mechanism of the reaction remains unclear. In this paper, the mechanism catalyzed by AlCl₃/MIL‐53(Al) and AlCl₃/MIL‐53(Al)@γ‐Al₂O₃ catalysts was calculated at B3LYP/6‐311++G(3df, 2pd) level by using the density functional theory (DFT). The results showed that although the two catalysts had similar active structures, the catalytic effects were significantly different. The Lewis acid center on the surface of γ‐Al₂O₃ in the core‐shell catalyst is complementary to the classic Lewis acid AlCl₃ through the spatial superposition effect, which greatly improves the Lewis acid catalytic activity of AlCl₃/MIL‐53(Al)@γ‐Al₂O₃.