Computational Analysis of the Solid-State and Solvation Properties of Carbamazepine in Relation to its Polymorphism

The solvent-dependent polymorphism of the active pharmaceutical ingredient (API) carbamazepine is interpreted from calculations of the solid-state and API-solvent intermolecular interactions. These simulations suggested that apolar solute-solute interactions could be disrupted by apolar solvents. In contrast, the polar solute-solute interactions were found to be easily disrupted by polar and protic solvents. This is consistent with experimental observations that the crystallization of the metastable form II is more dominant in apolar solvents. The Mercury program remains the gold standard in terms of usability; however, further expansion into more complex simulation techniques could make this package of even greater use in pharmaceutical manufacturing workflows.     

Personality expression and recognition in Chinese language usage

User Modeling and User-Adapted Interaction - Personality plays a pivotal role at work. Many scholars have investigated the association between personality and language usage habits in the English...     

Anchoring single Pt atoms on hollow Ag3VO4 spheres for improved activity towards photocatalytic H2 evolution reaction

The high cost of noble metal catalysts has been a great bottleneck for the catalyst industry. Using the noble metal at a single-atom level for catalytic applications could dramatically decrease the cost. The impacts of single Pt atoms on the photocatalytic performance of Ag₃VO₄ have been investigated and reported. In this report, single Pt atoms were anchored on the surface of Ag₃VO₄ (AVO) as a cocatalyst, and the resultant composite photocatalyst has been studied for photocatalytic H₂ production from water driven by visible light. The as-prepared AVO particles are hollow nanospheres in the monoclinic phase with a bandgap of 2.20 eV. The light absorption edge of AVO/Pt is slightly red-shifted compared to that of the pristine AVO, indicating more visible light absorption of AVO/Pt. The XPS peaks of Ag, V, and Pt exhibit a significant shift after AVO and Pt get into contact, suggesting the strong interaction between the surface Ag and V atoms, and single Pt atoms. After 3-h illumination, the photocatalytic H₂ evolution amount from AVO/Pt is improved up to 1400 μmol, which is 2.8 times that on the bare AVO. Such efficient photocatalytic H₂ evolution on AVO/Pt is still maintained after five reaction cycles. The better photocatalytic performance of AVO/Pt has been attributed to the more efficient visible light utilization and the lower interfacial charge transfer resistance, as demonstrated in the DRS and EIS spectra. The presence of the surface Pt atoms also leads to a higher amount of reactive radicals, which could efficiently promote the surface redox reactions.     

Dynamics and workspace analysis of a multi-robot collaborative towing system with floating base

Journal of Mechanical Science and Technology - A multi-robot collaborative towing system fixed on floating base for high load marine work was established in this paper, and its dynamics and...     

一种基于Spark的不确定数据集频繁模式挖掘算法

如何在海量不确定数据集中提高频繁模式挖掘性能是目前研究的热点.传统算法大多是以期望、概率或者权重等单一指标为数据项集支持度，在大数据背景下，同时考虑概率和权重支持度的算法难以兼顾其执行效率.为此，本文提出一种基于Spark的不确定数据集频繁模式挖掘算法（UWEFP），首先，为了同时兼顾数据项的概率和权重，计算一项集的最大概率权重值并进行剪枝；然后，为了减少对数据集的多次扫描，结合Spark框架的优点，设计了一种具有FP-tree特征的新颖的UWEFP-tree结构进行模式树的构建及挖掘；最后在Spark环境下，以UCI数据集进行实验验证.实验结果表明本文的方法在保证挖掘结果的同时，提高了效率.     

IDS告警融合与关联模型的研究

入侵检测是保障网络安全的重要手段,针对现有入侵检测系统中告警数量多、协调性差等问题,论文提出了一种具有告警融合与关联功能的告警处理系统模型,该模型冗余告警量少、整体检测能力强,并能进行攻击企图的预测,能有效提高入侵检测的效率,有助于进一步增强网络的健壮性。     

2G/3G网络漫游的思考

在充分考虑目前移动网络发展现状的基础上,对我国发展3G网络时与2G网络漫游的优势进行了深入的讨论,并提出漫游的解决方案。     

钱塘江景观与文化关系初析

我国进入经济高速发展期后,人们在防洪抗旱得到安全保障、开发资源和治理江道等对河流的基本需求得到满足后,逐渐重视河流的景观和生态功能.从分析研究钱塘江下游河流景观特征、地理水文及人类活动对形成丰富多彩的景观的作用,以及一些以钱塘江为吟颂对象的诗词出发,初步探讨钱塘江景观多样性对人的性格、文学家风格的影响,最后从景观角度探讨河流治理的一些原则.     

人工颅骨用复合材料中微量甲基丙烯酸甲酯的气相色谱法测定

采用氢气焰离子化检测器(FID),以正丁醇为外标物,PEG-20M为固定相,甲醇作为溶剂,气相色谱法测定复合材料人工颅骨中微量MMA的含量。其相对标准偏差<0.022,平均回收率(n=4)为98.0％～99.1％。此方法操作简便,用于实际样品分析可得到满意的结果。