Crystal structures of functional building blocks derived from bis(benzo[b]thiophen‐2‐yl)methane

The syntheses of three bis(benzo[b]thiophen‐2‐yl)methane derivatives, namely bis(benzo[b]thiophen‐2‐yl)methanone, C₁₇H₁₀OS₂, (I), 1,1‐bis(benzo[b]thiophen‐2‐yl)‐3‐(trimethylsilyl)prop‐2‐yn‐1‐ol, C₂₂H₂₀OS₂Si, (II), and 1,1‐bis(benzo[b]thiophen‐2‐yl)prop‐2‐yn‐1‐ol, C₁₉H₁₂OS₂, (III), are described and their crystal structures discussed comparatively. The conformation of ketone (I) and the respective analogues are rather similar for most of the compounds compared. This is true for the interplanar angles, the C_aryl—C_bridge—C_aryl angles and the dihedral angles. The best resemblance is found for a bioisotere of (I), viz. 2,2′‐dinaphthyl ketone, (VII). By way of interest, the crystal packings also reveal similarities between (I) and (VII). In (I), the edge‐to‐face interactions seen between two napthyl residues in (VII) are substituted by S…π contacts between the benzo[b]thiophen‐2‐yl units in (I). In the structures of the bis(benzo[b]thiophen‐2‐yl)methanols, i.e. (II) and (III), the interplanar angles are also quite similar compared with analogues and related active pharmaceutical ingredients (APIs) containing the dithiophen‐2‐ylmethane scaffold, though the dihedral angles show a larger variability and produce unsymmetrical molecules.     

卷泥片雕塑：当代钧窑造型艺术的新高度

1990年代中后期,卷泥片成型技艺引进钧窑造型艺术。钧窑卷泥片陶艺造型从理念上讲,需要创作者对泥性的深刻理解与把握,需要基本认知泥片成型工艺要求,需要熟知卷泥片肌理及其应用;从创作艺术素养和思想上讲,需要创作者从传统文化资源里汲取养素,在日常生活中寻求创作灵感。卷泥片造型技法进入钧窑成型艺术无疑将给当代中国钧窑带来极大的艺术提升潜力和张力。     

浅谈建筑节能改造的防火问题

既有建筑节能改造是当前我国建筑节能工作的重点,但由于材料、施工、法规监管等多方面的原因,给我国建筑防火安全造成了许多重大隐患和事故。就如何在建筑节能改造中通过多种手段处理好防火安全问题进行了讨论,提出一些可供借鉴的方法。     

论独立学院图书馆文献信息资源建设——以福建师范大学闽南科技学院图书馆为例

独立学院图书馆文献信息资源建设的迅速发展带来了馆藏比例失调、质量低、供需矛盾与资源共享意识薄弱等一系列问题,以福建师范大学闽南科技学院图书馆为例提出建立规划、组建采购队伍、进行数字化建设、扩大共享范围等对策。     

如何做好高校安全保卫工作

做好高校的保卫工作,是高校改革和发展的基础,但随着社会的发展,高校安全保卫工作也面临着越来越多的挑战.对此,各高校应加强安全机制建设,与相关部门密切配合,促进安全保卫工作的快速有序发展.     

高校物流实验室建设探析

分析了高校建设物流实验室的必要性和总体目标,对物流实验室实训方案设计的基本思路、具体实训课程计划等问题进行了探讨,总结了高校物流实验室建设存在的误区和需要注意的问题。     

高职教育应注重学生实践能力的培养

近10年来,全国高等职业教育得到了大力推进和快速发展,已占据高等教育的半壁江山。要搞好高职教育,应对高职教育的对象即高职学生情况进行分析研究,了解其特点,因材施教,特别应注重学生实践能力的培养,这样才能更有针对性的进行教育培养工作,使高职教育培养的学生能真正成为社会所需要的人才。     

浅谈通风设施的砌筑位置在矿井瓦斯防治中的重要性

从矿井中瓦斯存在的形式、瓦斯涌出条件及瓦斯涌出措施等方面入手,通过案例分析说明了砌筑通风设施位王的合理性在防治瓦斯方面的重要性.     

Physicochemical and Graph Theoretical Descriptors in Developmental Toxicity SAR: A Comparative Study

Abstract

Chemical insults to the developing fetus can lead to growth retardation, malformation, death, and functional deficits. The present study seeks to determine if physicochemical and/or graph theoretical parameters can be used to determine a structure-activity relationship (SAR) for developmental toxicity, and if consistency is observed among the selected features. The biological data utilized consists of a diverse series of compounds evaluated within the Chernoff-Kavlock in vivo mouse assay. Physicochemical parameters calculated correspond to electronic, steric, and transport properties. Graph theoretical parameters calculated include the simple, valence, and kappa indices. Both sets of parameters were independently applied to derive SARs in order to compare the quality of the respective models. Multiple random sampling, without replacement, was utilized to obtain ten training/test partitions. Models were built by linear discriminant analysis, decision trees, and neural networks respectively. Comparisons on identical sets of data were carried out to determine if any of the model building procedures had a significant advantage in terms of predictive performance. Furthermore, comparison of the features selected within and across the model building processes led to the determination of model consistency. Our results indicate that consistent features related to developmental toxicity are observed and that both physicochemical and graph theoretical parameters have equal utility.