Experimental and Numerical Studies of Multi-compartment Spreading Fire in a Full-Scale Steel Framed Building

Fire Technology - Fire dynamic characteristics in multi-compartments are still not very clear. This paper presents a spreading fire test in a full-scale two-storey steel framed building to...     

Stable Radicals with Protective Umbrellas Integrated on the Surface of 2D Layered Materials

Radicals are closely related to human life and health and have been widely used in biology, chemistry, functional materials, etc. However, the high reactivity, disorder, and short half-lives limit their wide applications. Therefore, it remains a great challenge to prepare stable and ordered radicals. Herein, radicals are prepared with protective umbrellas (diethylmethyleneamine, DEMA) that are integrated on the surface of 2D layered materials to isolate water and oxygen and enhance the stability of radicals. Taking 2D black phosphorus (BP) as an example: triethylamine reacts with dichloromethane to form quaternary ammonium salts with further Hoffmann elimination to produce DEMA radicals that could react with one electron of a lone pair electrons in P on the surface of BP to produce P radicals, which shows a prolonged half-life of 21 days at room temperature. First-principle calculations and electron paramagnetic resonance fitting confirm that the steric hindrance constructed by dense DEMA passivation layer acts as a protective umbrella and the 2D coupling of P radicals and other P atoms in 2D BP plane to enhance the stability and strong superexchange interaction of P radicals. Furthermore, it is a general strategy to produce stable radicals integrated on the 2D plane.     

基于MF-DCCA 的呼吸道疾病与大气污染物相关性分析

针对呼吸道系统疾病与大气 PM2:5、 SO2 浓度序列的相关性特征, 应用多重分形消除趋势波动分析法 (MF-DCCA), 对张家界市永定区呼吸道系统疾病患病人数与大气 PM2:5、 SO2 浓度序列进行了研究。结果发现该地区 呼吸道系统疾病患病人数与大气 PM2:5、 SO2 浓度的相关性具有长期持续特征和多重分形特征。随后对它们相关性 多重分形特征的动力来源进行了分析, 通过随机重排和相位随机处理, 结果表明在不同时间尺度上的长期持续性影响 是其主要动力来源。进一步研究发现该地区呼吸道系统疾病与大气 PM2:5、 SO2 浓度序列的相关性在四个季节均具 有长期持续性的多重分形特征, 且夏季多重分形特征相对强于其他季节。     

Biodegradation of Endocrine Disrupting Chemicals with Laccase Isozymes from Recombinant Pichia pastori

Catalysis Letters - In this paper, five recombinant strains: GS115-LacA, GS115-LacB, GS115-LacC, KM71H-Lcc1 and GS115-Lcc2 were selected to produce laccase isozymes with high activities, which...     

药物化学教学的几点思考

为培养满足人类社会发展的新药研发人员,掌握药物化学知识非常重要.药物化学是药学类专业的一门核心课程,也是培养创新性新药研发人员的基础课程.关于如何改善药物化学的教学效果,笔者基于当前药物化学教学中存在的问题,从学科整合、教学方式、教师和优化实验等几个方面提出了自己的几点思考,以期提高教学质量.     

综合设计性实验在药物分析学实验中对学生综合能力的培养

《药物分析学实验》是药学专业的一门独立必修课程,是药学科学领域中的一个重要组成部分,具有较强的实践性和综合性,旨在培养学生综合运用所学知识分析药品质量的能力.综合设计性实验作为《药物分析学实验》的重要组成部分,对学生实践操作能力,发现问题、分析问题、解决问题的能力,创新能力,应用能力,团结协作能力,劳动素养等综合能力的培养具有极其重要的意义.     

An Atomistic Understanding of Allosteric Inhibition of Glutamate Racemase: a Dampening of Native Activation Dynamics

Glutamate racemases (GR) are members of the family of bacterial enzymes known as cofactor-independent racemases and epimerases and catalyze the stereoinversion of glutamate. D-amino acids are universally important for the proper construction of viable bacterial cell walls, and thus have been repeatedly validated as attractive targets for novel antimicrobial drug design. Significant aspects of the mechanism of this challenging stereoinversion remain unknown. The current study employs a combination of MD and QM/MM computational approaches to show that the GR from H. pylori must proceed via a pre-activation step, which is dependent on the enzyme's flexibility. This mechanism is starkly different from previously proposed mechanisms. These findings have immediate pharmaceutical relevance, as the H. pylori GR enzyme is a very attractive allosteric drug target. The results presented in this study offer a distinctly novel understanding of how AstraZeneca's lead series of inhibitors cripple the H. pylori GR's native motions, via prevention of this critical chemical pre-activation step. Our experimental studies, using SPR, fluorescence and NMR WaterLOGSY, show that H. pylori GR is not inhibited by the uncompetitive mechanism originally put forward by Lundqvist et al.. The current study supports a deep connection between native enzyme motions and chemical reactivity, which has strong relevance to the field of allosteric drug discovery.