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Synthesis, activity evaluation and 3D-QSAR study of some novel derivatives of 4, 5, 6, 7-tetrahydrothieno [3,2-c] pyridine

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Chinese Chemical Letters 2008年第6期19卷 1075-1079页

作者： die cheng Deng Ke Liu Mo Liu Ying Liu Wei Ren Xu Chang Xiao Liu Department of Pharmaceutical Engineering School of Chemical Engineering and Technology Iianjin University llanjin 300072 People＇s Republic of China Tianjin Key Laboratory of Molecular Design and Drug Discovery Tianjin Institute of Pharmaceutical Research Tianjin 300193 People＇s Republic of China State Key Laboratory of Pharmacokinetics and Pharmacodynamics Tianjin Institute of Pharmaceutical Research Tianjin 300193 People＇s Republic of China

A series of novel derivatives of 4, 5, 6, 7-tetrahydrothieno [3,2-c] pyridine were synthesized and structurally characterized by 1H NMR and MS. Their in vivo anti-platelet aggregation activities were evaluated. A 3D-QSAR was performed using the CoMFA and the CoMSIA. This model provided useful guidelines for novel anti-platelet thienopyridines design.

关键词： Thienopyridines Anti-platelet aggregation activities P2Y12 receptors 3D-QSAR

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Relationship of quantitative structure and pharmacokinetics in fluoroquinolone antibacterials

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World Journal of Gastroenterology 2007年第17期13卷 2496-2503页

作者： die cheng Wei-Ren Xu Chang-Xiao Liu Department of Pharmaceutical Engineering Schoolof Chemical Engineering and Technology Tianjin UniversityTianjin 300072 China National KeyLaboratory of Pharmacokinetics and Pharmacodynamics TianjinInstitute of Pharmaceutical Research Tianjin 300193 China

AIM： To study the relationship between quantitative structure and pharmacokinetics （QSPkR） of fluorocluinolone antibacterials.METHODS： The pharmacokinetic （PK） parameters of oral fluoroquinolones were collected from the literature. These pharmacokinetic data were averaged, 19 compounds were used as the training set, and 3 served as the test set. Genetic function approximation （GFA） module of Cerius2 software was used in QSPkR analysis.RESULTS： A small volume and large polarizability and surface area of substituents at C-7 contribute to a large area under the curve （AUC） for fluoroquinolones. Large polarizability and small volume of substituents at N-1 contribute to a long half life elimination.CONCLUSION： QSPkR models can contribute to some fluoroquinolones antibacterials with excellent pharmacokinetic properties.

关键词： Quantitative structure pharmacokinetic relationship Genetic function approximation Fluoro-quinolones Elimination half life

Stability and performance analysis of the compressed Kalman filter algorithm for sparse stochastic systems

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Science China(Technological Sciences) 2024年第2期67卷 380-394页

作者： LI RongJiang GAN die XIE SiYu LüJinHu Key Laboratory of Systems and Control Academy of Mathematics and Systems ScienceChinese Academy of SciencesBeijing 100190China School of Mathematical Sciences University of Chinese Academy of SciencesBeijing 100049China Zhongguancun Laboratory Beijing 100049China School of Aeronautics and Astronautics University of Electronic Science and Technology of ChinaChengdu 611731China School of Automation Science and Electrical Engineering Beihang UniversityBeijing 100191China

This paper considers the problem of estimating unknown sparse time-varying signals for stochastic dynamic *** deal with the challenges of extensive sparsity,we resort to the compressed sensing method and propose a compressed Kalman filter(KF)*** algorithm first compresses the original high-dimensional sparse regression vector via the sensing matrix and then obtains a KF estimate in the compressed low-dimensional ***,the original high-dimensional sparse signals can be well recovered by a reconstruction *** ensure stability and establish upper bounds on the estimation errors,we introduce a compressed excitation condition without imposing independence or stationarity on the system signal,and therefore suitable for feedback *** further present the performance of the compressed KF ***,we show that the mean square compressed tracking error matrix can be approximately calculated by a linear deterministic difference matrix equation,which can be readily evaluated,analyzed,and ***,a numerical example demonstrates that our algorithm outperforms the standard uncompressed KF algorithm and other compressed algorithms for estimating high-dimensional sparse signals.

关键词： sparse signal compressed sensing Kalman filter algorithm compressed excitation condition stochastic stability tracking performance

Compressed Least Squares Algorithm of Continuous-Time Linear Stochastic Regression Model Using Sampling Data

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Journal of Systems Science & Complexity 2024年第4期37卷 1488-1506页

作者： XIE Siyu ZHANG Shujun WANG Ziming GAN die School of Aeronautics and Astronautics University of Electronic Science and Technology of ChinaChengdu 611731China China Academy of Aerospace Science and Innovation Beijing 100176China Zhongguancun Laboratory Beijing 100094China

In this paper,the authors consider a sparse parameter estimation problem in continuoustime linear stochastic regression models using sampling *** on the compressed sensing(CS)method,the authors propose a compressed least squares(LS) algorithm to deal with the challenges of parameter *** each sampling time instant,the proposed compressed LS algorithm first compresses the original high-dimensional regressor using a sensing matrix and obtains a low-dimensional LS estimate for the compressed unknown ***,the original high-dimensional sparse unknown parameter is recovered by a reconstruction *** introducing a compressed excitation assumption and employing stochastic Lyapunov function and martingale estimate methods,the authors establish the performance analysis of the compressed LS algorithm under the condition on the sampling time interval without using independence or stationarity conditions on the system *** last,a simulation example is provided to verify the theoretical results by comparing the standard and the compressed LS algorithms for estimating a high-dimensional sparse unknown parameter.

关键词： Compressed excitation condition compressed sensing continuous-time model least squares linear stochastic regression parameter identification sampling data

Insight into Lithium–sulfur batteries performance enhancement: from metal nanoparticles to metal nanoclusters to single metal atoms

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Tungsten 2024年第3期6卷 504-521页

作者： Shuang Ma Qing-Ling Ruan Xue-cheng Liu Gui-Jun Zhu die Yuan Ling-Qiao Hu Yu-Mei Huang Xing-Xing Gu Chongqing Key Laboratory of Catalysis and New Environmental Materials College of Environment and Resources Chongqing Technology and Business University National Research Base of Intelligent Manufacturing Service Chongqing Technology and Business University

Lithium-sulfur(Li-S) batteries have attracted much attention and developed rapidly in recent years due to their high energy density,low cost,and ***,its commercialization process still encounters various *** them,the sulfur cathode is easy to dissolve and shuttle,resulting in the loss of active substances and the severe growth of lithium anode dendrites,which is one of the biggest *** the redox conversion kinetics of sulfur cathode is expected to fundamentally alleviate the shuttle phenomenon of poly ***,this paper reviews the effects of metal nanoparticles to metal nanoclusters to metal single-atom catalysts on improving the redox of Li-S batteries,to let researchers better understand the size effect on the kinetics of sulfur cathodes in Li-S batteries,which will provide important guidance for the future large-scale commercialization of Li-S batteries.

关键词： Lithium–sulfur batteries Metal nanoparticles Metal nanoclusters Metal single atoms Size effects

基于层次分析法的煤矿工人不安全行为影响因素研究

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科技创新与生产力 2024年第1期45卷 78-81页

作者：程蝶舒仕海黄丹张阳兴义民族师范学院物理与工程技术学院贵州兴义562400

本文指出煤矿开采过程中,煤矿工人的不安全行为会直接或者间接导致了煤矿事故的发生。为了保证煤矿工人安全作业,本文基于层次分析法,对煤矿工人不安全行为影响因素进行了综合分析,主要针对1个一级指标、4个二级指标、16个三级指标进行... 详细信息

本文指出煤矿开采过程中,煤矿工人的不安全行为会直接或者间接导致了煤矿事故的发生。为了保证煤矿工人安全作业,本文基于层次分析法,对煤矿工人不安全行为影响因素进行了综合分析,主要针对1个一级指标、4个二级指标、16个三级指标进行了研究,通过问卷设计、问卷调查和多位专家权重赋值得到了科学数据,对数据进行了分析处理,得出了主要影响煤矿工人不安全行为的因素,分析了具体原因,提出了相关的对策措施及建议,以期达到预防或者降低煤矿工人作业时事故的发生。

关键词：煤矿煤矿安全不安全行为层次分析法影响因素指标体系

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盐酸齐拉西酮合成路线图解

中国医药工业杂志 2012年第8期43卷 709-712页

作者：成碟阳凯刘磊浙江海正药业股份有限公司浙江台州318000

齐拉西酮（ziprasidone，1），化学名为5-[2-[4-（1，2．苯并异噻唑．3．基）-1-哌嗪基]乙基]-6-氯-1，3-二氢．2H-吲哚-2-酮，是由辉瑞制药公司研发的非典型广谱抗精神病药，该药口服制剂和肌肉注射剂分别于1998年和2000年在欧洲上市... 详细信息

齐拉西酮（ziprasidone，1），化学名为5-[2-[4-（1，2．苯并异噻唑．3．基）-1-哌嗪基]乙基]-6-氯-1，3-二氢．2H-吲哚-2-酮，是由辉瑞制药公司研发的非典型广谱抗精神病药，该药口服制剂和肌肉注射剂分别于1998年和2000年在欧洲上市，胶囊剂于2002年被美国FDA批准上市，并被推荐为一线抗精神病药物。

关键词：合成路线图解抗精神病药酮盐酸批准上市苯并异噻唑美国FDA 制药公司

细胞色素P450(CYP450)遗传多态性研究进展

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中国药理学通报 2006年第12期22卷 1409-1414页

作者：成碟徐为人刘昌孝天津大学化工学院制药工程系天津300072 天津药物研究院药代动力学和药效动力学省部共建国家重点实验室天津300193

近年来对CYP450基因型和表型相关性的研究越来越受到重视,从临床合理用药方面来说,人们希望利用基因型分析来了解个体中药物代谢酶的活性,期望既能提高药物治疗水平同时又降低不良反应的发生;从新药研发角度来说,研究药物的代谢酶CYP45... 详细信息

近年来对CYP450基因型和表型相关性的研究越来越受到重视,从临床合理用药方面来说,人们希望利用基因型分析来了解个体中药物代谢酶的活性,期望既能提高药物治疗水平同时又降低不良反应的发生;从新药研发角度来说,研究药物的代谢酶CYP450的功能能够指导新药的设计、筛选及优化。该文通过查阅国内外相关文献综述了近年来关于CYP450遗传多态性研究的进展,分别介绍了CYP2C19、CYP2C9、CYP3A4、CYP2D6、CYP1A2和CYP2E1这6种主要的药物代谢酶。研究CYP450对新药设计、筛选、评价及优化有重要意义。

关键词：细胞色素P450 CYP450 遗传多态性 CYP2C19 CYP2C9 CYP3A4 CYP2D6 CYP1A2 CYP2E1

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帕潘立酮合成路线图解

中国医药工业杂志 2012年第7期43卷 616-619页

作者：包如胜成碟孟强海正药业南通股份有限公司江苏南通226400

帕潘立酮（paliperidone，1），化学名为3-[2-[4-（6-氟-1，2-苯并异嗯唑-3-基）-1-哌啶基]-乙基]-6，7，8，9-四氢-9-羟基-2-甲基-4H-吡啶并[1，2-a]嘧啶-4-酮，由美国Johnson＆Johnson公司开发，其缓释片（商品名为芮达）于2006年经美... 详细信息

帕潘立酮（paliperidone，1），化学名为3-[2-[4-（6-氟-1，2-苯并异嗯唑-3-基）-1-哌啶基]-乙基]-6，7，8，9-四氢-9-羟基-2-甲基-4H-吡啶并[1，2-a]嘧啶-4-酮，由美国Johnson＆Johnson公司开发，其缓释片（商品名为芮达）于2006年经美国FDA批准上市，2009年2月经SFDA批准在中国上市。

关键词：合成路线图解美国FDA 酮批准上市 SFDA 化学名哌啶基商品名