Novel 1,3,5-thiadiazine-2-thione derivatives containing a hydrazide moiety: Design,synthesis and bioactive evaluation against phytopathogenic fungi in vitro and in vivo

A series of novel 1,3,5-thiadiazine-2-thione derivatives bearing a hydrazide moiety were designed, synthesized and evaluated for their biological activities against phytopathogenic fungi. The antifungal bioassays indicated that the title compound 5b impressively displayed the obvious selectivity and specificity aganist Rhizoctonia solani (Rs) in vitro and in vivo. The above researches provide a significant reference for the further structural optimization of 1,3,5-thiadiazine-2-thione derivatives bearing a hydrazide moiety as potential fungicides.     

Decentralized operation strategies for an integrated building energy system using a memetic algorithm

The emerging technology in net-zero building and smart grids drives research moving from centralized operation decisions on a single building to decentralized decisions on a group of buildings, termed a building cluster which shares energy resources locally and globally. However, current research has focused on developing an accurate simulation of single building energy usage which limits its application to building clusters as scenarios such as energy sharing and competition cannot be modeled and studied. We hypothesize that the study of energy usage for a group of buildings instead of one single building will result in a cost effective building system which in turn will be resilient to power disruption. To this end, this paper develops a decision model based on a building cluster simulator with each building modeled by energy consumption, storage and generation sub modules. Assuming each building is interested in minimizing its energy cost, a bi-level operation decision framework based on a memetic algorithm is proposed to study the tradeoff in energy usage among the group of buildings. Two additional metrics, measuring the comfort level and the degree of dependencies on the power grid are introduced for the analysis. The experimental result demonstrates that the proposed framework is capable of deriving the Pareto solutions for the building cluster in a decentralized manner. The Pareto solutions not only enable multiple dimensional tradeoff analysis, but also provide valuable insight for determining pricing mechanisms and power grid capacity.     

Thermogravimetric analysis of carbide slag

Potential of carbide slag as transesterification catalyst is validated. Combined with X-ray fluorescence for ingredient determination, X-ray diffraction for textural phase analysis, scanning electron microscope for surface morphology observation and Hammett indicator for basic strength mensuration, thermal event of carbide slag is investigated through thermogravimetric analysis to estimate the potential of this calcium-based industrial waste as transesterification catalyst. Further, kinetic parameters are calculated through model-free method, where the experiments are conducted at temperature heating rates of 5, 10, 15, and 20 K min^?1. As for activation energy and reaction order, Vyazovkin method and Avrami theory are respectively mentioned. Meanwhile, catalytic performance of carbide slag is labeled by transesterification efficiency and calcium hydroxide is conditionally mentioned for comparison. In conclusion, potential of carbide slag as transesterification catalyst is adequately validated.     

胶体粒子的机械性能调控及其在药物递送中的应用

胶体粒子是肿瘤治疗中最常用的载体, 尽管在过去的研究中不同的胶体粒子已经被广泛报道, 但如何进一步提高胶体粒子的药物递送效率仍然存在着一些挑战. 大量的研究表明胶体粒子的尺寸、形状、结构和表面化学等物理化学性质在药物递送过程中具有重要的作用, 但胶体粒子的机械性能对药物递送过程的影响研究和综述相对较少. 本综述从不同机械性能胶体粒子的制备与表征出发, 概述了胶体粒子的机械性能对血液循环、肿瘤富集、渗透以及细胞内化过程的影响, 并对该领域存在的问题以及发展的趋势进行了展望. 该综述有助于帮助科学工作者更好地理解胶体粒子的机械性能对药物递送的影响规律, 从而优化胶体粒子的设计并提高纳米药物的递送效率和生物利用率.     

细菌感染成像的研究进展

由致病菌或条件致病菌侵入机体繁殖而产生的毒素和其它代谢产物所引起的感染性疾病是目前全球范围内的主要死亡原因之一. 感染性疾病的早期诊断是对其进行有效治疗与控制的重要途径. 分子影像技术的快速发展给体内细菌感染的评估带来了前所未有的变化和机遇. 本文综合评述了计算机断层扫描、 正电子发射断层扫描、 超声成像、 磁共振成像、 荧光成像及光声成像等成像方式在细菌感染体内成像中的研究进展、 不足和发展方向等, 以期为活体细菌感染检测方法的发展提供参考.     

Unraveling Dual Aggregation‐Induced Emission Behavior in Steric‐Hindrance Photochromic System for Super Resolution Imaging

Unprecedented dual aggregation‐induced emission (AIE) behavior based on a steric‐hindrance photochromic system is presented, with incorporation one or two bulky aryl groups, resulting in different flexibleness. The dual AIE behavior of open and closed isomers can be explained by restriction of intramolecular rotation (RIR), restriction of intramolecular vibration (RIV), and intermolecular stacking. The large bulky benzothiophene causes restricted rotation, enhancing the emission of open form in solution and weak π–π molecular packing, thereby efficiently enhancing the luminescence performance in the solid state. With incorporation of two large bulky benzothiophene groups, BBTE possesses the most outstanding AIE activity, undergoing highly efficient and reversible off‐to‐on fluorescence in film upon alternating UV and visible light irradiation along with excellent fatigue resistance. The off‐to‐on fluorescent photoswitch is successfully established in super resolution imaging.     

NaGaS2: An Elusive Layered Compound with Dynamic Water Absorption and Wide‐Ranging Ion‐Exchange Properties

Most ternary sulfides belonging to the MGaS₂ structure‐type have been known for many years and are well‐characterized. Surprisingly, there have been no reports of the NaGaS₂ composition, which contains Na, a monovalent cation slightly larger in size than Li, found in LiGaS₂, a compound known for its non‐linear optical properties. Now it is demonstrated for the first time that the unique reversible water absorption in NaGaS₂ has resulted in its absence from previous reports owing to difficulties encountered when characterizing this compound by SC XRD. The layered structure of this compound coupled with uniquely easy migration of water molecules between the layers allows for ion exchange with 3d and 5f metal cations. Some cations, for example, Ni²⁺, facilitate exfoliation of the layers, providing a facile synthetic route to a new class of 2D chalcogenide materials and furthermore demonstrating that NaGaS₂ can readily uptake uranyl species from aqueous solutions.     

考虑温度效应的覆冰导线动力学建模及舞动特征研究

针对以往研究忽略了温度效应对覆冰导线舞动特性的影响,本文推导了考虑温度效应影响的覆冰导线舞动控制方程.基于悬链法、热应力理论推导了覆冰导线的偏微分舞动方程,接着通过Galerkin法将该偏微分方程转化为常微分方程.建立气动载荷模型,将气动力引入到舞动方程中,随后采用多尺度求得了覆冰导线的位移响应,最后进行了参数分析、算...     

任意高差的多档输电线动刚度理论建模

针对目前多档输电线动力特性研究中存在的不足,将任意一档导线视为子结构并基于现有的索振动理论获得了其动张力;利用相邻两档导线的动张力建立了悬垂绝缘子串绕其悬挂点摆动的动力学方程;综合每一档导线的振动方程以及悬垂绝缘子串的摆动方程建立了两档及三档输电线的动力学方程,求解得到由端部位移激励产生的动刚度;通过对动刚度进行分析得到了多档输电线的固有频率以及模态的理论表达形式;建立了小高差的两档及三档导线的有限元模型,理论分析结果与有限元结果一致,验证了理论公式的正确性。本文提出的动刚度理论对于研究多档输电线的动态响应具有重要的应用价值。     

Pharmacophore features for machine learning in pharmaceutical virtual screening

Molecular Diversity - Methods of three-dimensional molecular alignment generally treat all pharmacophore features equally when superimposing. However, some pharmacophore features can be more...