Deep Hierarchical Ensemble Model for Suicide Detection on Imbalanced Social Media Data

As a serious worldwide problem, suicide often causes huge and irreversible losses to families and society. Therefore, it is necessary to detect and help individuals with suicidal ideation in time. In recent years, the prosperous development of social media has provided new perspectives on suicide detection, but related research still faces some difficulties, such as data imbalance and expression implicitness. In this paper, we propose a Deep Hierarchical Ensemble model for Suicide Detection (DHE-SD) based on a hierarchical ensemble strategy, and construct a dataset based on Sina Weibo, which contains more than 550 thousand posts from 4521 users. To verify the effectiveness of the model, we also conduct experiments on a public Weibo dataset containing 7329 users’ posts. The proposed model achieves the best performance on both the constructed dataset and the public dataset. In addition, in order to make the model applicable to a wider population, we use the proposed sentence-level mask mechanism to delete user posts with strong suicidal ideation. Experiments show that the proposed model can still effectively identify social media users with suicidal ideation even when the performance of the baseline models decrease significantly.     

PCBs的超(亚)临界水催化氧化及还原裂解

简要分析了多氯联苯(PCBs)的来源及其对环境构成的危害,介绍了PCBs在超（亚）临界水中的反应及其处理效果。分别从超临界水氧化、超临界水裂解及亚临界水还原三个方面阐明了超临界反应过程中PCBs降解的反应路径和降解效率,解释了共溶剂（甲醇、苯）、碱催化剂（Na₂CO₃、NaOH）、氧化剂（NaNO₃、NaNO₂）等对PCBs脱氯和分解的增效作用机理。发现在超临界水氧化与超临界水裂解条件下CH3OH对PCBs降解反应的促进机制有所不同,碱催化剂通过中和反应过程中产生的HCl生成NaCl沉淀导致体系中Cl的含量降低,从而促进脱氯反应的进行。对反应器防腐、处理的经济性方面略作讨论,在总结上述研究工作的基础上提出了PCBs的超临界反应处理技术未来发展的若干研究方向。     

白酒中游离有机酸的定量测定

本文介绍了一种简单、准确测定白酒中游离有机酸的方法。酒样经中和、浓缩后,未经衍生直接注入毛细管色谱柱,经气相色谱-质谱鉴定并采用三种内标物定量,可准确测定白酒中C2～C18的二十种游离脂肪酸及三种苯羧酸,结果重现性良好。     

Enantioselective synthesis of beta-aryl-gamma-amino acid derivatives via Cu-catalyzed asymmetric 1,4-reductions of gamma-phthalimido-substituted alpha,beta-unsaturated carboxylic acid esters

A series of chiral beta-aryl-substituted gamma-amino butyric acid derivatives were synthesized in good enantioselectivities via the Cu-catalyzed asymmetric conjugate reduction of gamma-phthalimido-alpha,beta-unsaturated carboxylic acid esters using Cu(OAc)2 x H2O as a catalyst precursor, (S)-BINAP as a ligand, PMHS as a hydride source, and t-BuOH as an additive. The methodology has been applied successfully to the enantioselective synthesis of a chiral pharmaceutical, (R)-baclofen.     

砷的生物地球化学

地下水和饮用水中低剂量砷引起的环境健康问题在全球范围内受到广泛关注.本文从生物地球化学行为的角度综述了关于砷在环境中迁移转化方面的研究进展.首先介绍了砷在土壤、水体和大气等介质中的分布、形态以及砷在这些介质中的循环.然后阐述了环境水体中控制砷迁移的两个过程即:砷在土壤表面的吸附-解吸和沉淀-溶解过程,并详细讨论了在吸附-解吸过程中生物、物理和化学等因素的影响.     

双β-二酮配体配位性的理论研究

基于自洽反应场(SCRF)中的极化连续介质模型(PCM), 采用密度泛函理论B3LYP/6-31G**计算了以二硫醚和芳环为桥基的两类双β-二酮配体的空间构型和电子结构, 结合其配合物晶体结构数据, 研究配体分子电子结构与配位性的关联性. 结果表明, 配体分子的几何构型、前线轨道、偶极矩和电荷布居, 与配合物构型、活性配位原子和配位形式(单核或多核、分子内或分子间)之间的关联性与一致性十分有意义. 配体的理论计算研究可以在一定层次上为配合物几何结构特征和配位特性提供合理的分析与预测.     

Assembly of copolymer blend on nanopatterned surfaces: a molecular simulation study

We report a molecular simulation study on the assembly of an (A7B5)5/A7B5 copolymer blend on nanopatterned surfaces. The density distributions, anisotropic radii of gyration, and conformations of both copolymers are quantitatively characterized. As the width of stripes on the surface decreases, the shape and thickness of the assembled film are found to be in qualitative agreement with those from experiments. The simulation results indicate that the shape and conformation of ordered film can be modulated by tuning the adsorption energy between the surface and the polymer or by adjusting the width of the stripes on the surface. We can regulate the width of the stripes to obtain a desired polymer conformation without altering the assembled film. In remarkable contrast to the pure copolymer, the radii of gyration of the blend in three directions are consistently smaller. The simulation reveals that the addition of a short chain during assembly is of central importance in restructuring the conformations of the long chain.     

HPLC-MS/MS enantioseparation of triazole fungicides using polysaccharide-based stationary phases

The enantiomeric separation of 21 triazole fungicides was carried out on four polysaccharide-derived chiral stationary phases in the reversed phase separation mode using high performance liquid chromatography coupled with tandem mass spectrometry. All fungicides were detected in electrospray ionization (ESI) positive mode with selected reaction monitoring (SRM). Complete enantioseparation was achieved for 21 fungicides except for difenoconazole based on cellulose tris (3,5-dimethylphenylcarbamate) and cellulose tris (3-chloro-4-methylphenyl carbamate) columns by optimizing experimental conditions including mobile phase and column temperature. Mobile phase was 0.1% formic acid aqueous solution mixed with methanol or acetonitrile in different proportions. Among all the fungicides, 15 with two enantiomers and three with four stereoisomers (bitertanol, bromuconazole, and cyproconazole) were successfully separated at 25°C. Enantioseparation for the other three fungicides (propiconazole, triadimenol, and difenoconazole) with four stereoisomers could be achieved by changing the column temperature from 10 to 40°C. Propiconazole and triadimenol were enantioseparated on baseline at 40 and at 35°C, respectively, and difenoconazole was enantioseparated partially with the R(s) > 1.1 at 25°C. Moreover, linearities and limits of detection (LODs) of 21 fungicides except for difenoconazole were studied, showing coefficients of determination (R(2)) higher than 0.99 and LODs lower than 2.5 μg/L.     

Two New Neolignans from the Stems of Syringa pinnatifolia Hemsl. var. alashanensis

Two new neolignans, syripinnalignins A and B ( 1 and 2 , resp.), were isolated from the 95% EtOH extract of the stem of Syringa pinnatifolia Hemsl . var. alashanensis. The structures of 1 and 2 were elucidated by spectroscopic methods, including UV, IR, HR‐ESI‐MS, and extensive 1D‐ and 2D‐NMR techniques.