噻吩与小分子间弱相互作用的理论研究

在B3LPY/6-311+G**水平上计算了噻吩与NH3、H2O和HF形成的复合物的结构、能量及氢键关键点处电荷密度拓扑性质。结果表明,噻吩与NH3形成两种弱C-H…N氢键;N被O取代后,除C-H…O氢键外,形成更稳定的O-H…π结构;F取代O时形成强度更大的F-H…S和F-H…π氢键,这表明典型的氢键在电负性较小的分子复合物中较为普遍;在电负性较大的分子复合物中,小分子更倾向于从噻吩平面上方接近噻吩,形成其他类型的氢键和X-H…π氢键。氢键关键点处的电荷密度拓扑性质结果表明,这些氢键强度较弱,为闭壳层相互作用。本文结论为噻吩类超分子功能材料体系的设计和合成提供一定的指导。     

TSL:predicting popularity of Facebook content based on tie strength

The rapid development of online social networks leads to an explosion of information,however,there are great differences in the popularity of different messages,and accurate prediction is always a great difficulty is the current study.Popularity prediction of online content aims to predict the popularity in the future based on its early diffusion status.Existing models for popularity prediction were mostly based on discovering network features or fitting the equation into a varying time function that the accuracy of current popularity prediction model was not high enough.Therefore,with the help of the weak ties theory in sociology,the concept of tie strength was introduced and a multilinear regression equation was constructed combined with the early popularity.A TSL model to predict the popularity of Facebook’s well-known pages was proposed.The main contribution of this article was to solve the problem and few or no work based on sociology.A high linear correlation between the proportion of faithful fans was existed in Facebook homepage with frequent shares in the early and the future popularity.Compared with other baseline models,an experimental study of Facebook (including 1.54 million shares) illustrates the effectiveness of the proposed TSL model,and the performance is better than the existing similar methods.     

Mg-bearing quartz solid solutions as structural intermediates between low and high quartz

Glass powder samples of cordierite composition (doped with 8 mol% TiO₂) were heat-treated to produce a series of increasingly SiO₂-enriched Mg-bearing quartz solid solutions (Qss). The obtained materials were then analyzed by X-ray diffraction: Rietveld structural refinements revealed that Mg-bearing Qss phases possess trigonal symmetry and a compositionally dependent intermediate structural arrangement between those of low and high quartz. High-temperature diffraction measurements were performed up to 700°C to characterize the thermal expansion behavior of the crystals. At SiO₂-rich compositions, a reversible high-to-intermediate inversion of the quartz structure is observed, which shifts with increasing stuffing to lower temperatures than the conventional 573°C for pure quartz. Similarities and differences to the better-established Li-bearing Qss are discussed in the text.     

煤化工酸水汽提装置运行存在问题及解决方法

本文简述了酸水汽提工艺的发展概况和技术进展,详细介绍了煤化工酸水汽提装置实际运行中存在的几类主要问题,并提出切实可行的解决措施,具有一定的借鉴意义。     

基于分解的多目标花朵授粉算法

在过去几十年里，许多多目标进化算法被广泛应用于解决多目标优化问题，其中一种比较流行的多目标进化算法是基于分解的多目标进化算法(MOEA/D)。花朵授粉算法是一种启发式优化算法，但迄今为止，花朵授粉算法在基于分解的多目标进化算法领域的研究还非常少。本文在基于分解的多目标进化算法的框架下，将花朵授粉算法拓展至多目标优化领域，提出一种基于分解的多目标花朵授粉算法(MOFPA/D)。此外，为了保证非支配解的多样性，本文提出一种基于网格的目标空间分割法，该方法从找到的Pareto最优解集中筛选出一定数量且分布均匀的Pareto最优解。实验结果表明，基于分解的多目标花朵授粉算法在收敛性与多样性方面均优于基于分解的多目标进化算法。     

急性炎性疾病患者乳酸林格氏液液体动力学

目的:探索炎性疾病患者的乳酸林格氏液（Ringer's lactate,RL）液体动力学特征以及炎性生物标记物是否可以作为协变量影响RL分布和排泄。方法:本研究为前瞻性队列研究。选择40例美国麻醉医师分级（ASA）I-II级，腹腔镜下择期胆囊切除术（胆囊炎组，n=20）或者腹腔镜下急诊阑尾切除术（阑尾炎组，n=20）。所有患者麻醉诱导前开始输注RL，按15 mL/kg，35 min内输毕。采用酶联免疫（enzyme-linked immunosorbent assay,ELISA）方法测定血浆炎症（TNF-α,IL-10和CRP）或者内皮损伤生物标记物（syndecan-1,SDC-1）；利用血红蛋白（Hb）稀释-时间曲线和尿量，使用Phoenix软件，采用非线性混合效应模型分析计算RL液体动力学参数和协变量的影响。结果:与胆囊炎组相比，阑尾炎组RL从组织间隙到血浆的转运速率常数（k21）显著降低（14×10-3min-1 versus 35×10-3min-1;P=0.012）。阑尾炎组C反应蛋白（CRP）升高［中位数38.1(1.8-143.6) μg/mL versus 1.3(0.1-159.0) μg/mL;P<0.001］；与清醒状态相比，麻醉期间（输液开始后30～45 min），液体从中央室中到外周室的转运速率常数（k12）显著增加（57×10-3min-1 versus 32×10-3min-1；P<0.01）。清除速率常数（k10）降低90%（0.6×10-3min-1 versus 5.3×10-3min-1;P<0.001）。无论在清醒状态还是麻醉状态下低血压均能降低液体清除；炎症或者内膜损伤的生物标记物不能作为显著影响RL液体动力学参数的协变量。结论:阑尾炎或者胆囊炎患者术前输入液体后“炎症反应的生物标记物”不是RL的液体动力学的协变量，但是两组患者中，全身麻醉期间输入液体的清除率下降。     

New exact solutions of the Tzitzéica-type equations in non-linear optics using the expa function method

One specific class of non-linear evolution equations, known as the Tzitzéica-type equations, has received great attention from a group of researchers involved in non-linear science. In this article, new exact solutions of the Tzitzéica-type equations arising in non-linear optics, including the Tzitzéica, Dodd–Bullough–Mikhailov and Tzitzéica–Dodd–Bullough equations, are obtained using the exp_a function method. The integration technique actually suggests a useful and reliable method to extract new exact solutions of a wide range of non-linear evolution equations.     

影响高空探测质量的原因分析及措施

高空气象探测系统具有较高的探测精度和自动化程度。文章通过对高空探测中影响探测的重放球、迟放球原因的分析,结合工作实践,总结了雷达、计算机、基测箱、探空仪等在运行过程中出现的问题,并提出具体的解决方法,实践证明运行效果显著,为业务人员提供参考。