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Chemical Research in Chinese Universities 2007年第1期23卷 120-122页

作者： ZHANG Shu-sheng WAN Jun li xue-mei li Chun-li XU liang-zhong College of Chemistry and Molecular Engineering Qingdao University of Science and Technology Qingdao 266042 P. R. China

1,2,4-Triazole derivatives represent an interesting class of heterocyclic compounds and have become the most with rapidly expanding group of antifungal compounds the advantages of toxicity, high oral bioavailability, and broad spectrum of activity against several fun- gi, including most yeasts and folanentous fungi . The triazole fungicides are agrochemicals that are used world wide in the agricultural industry because of their wide spectrum of action, A variety of benzotriazoles exhibit growth-inhibiting activities against some microorganisms and other derivatives possessing anti-inflammatory properties.

关键词： Triazole derivative Cyrstal structure Biological activity

Multiphase Equation of States of the Solid and liquid Phases of Al and Ta

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Chinese Physics Letters 2012年第4期29卷 149-152页

作者： li Ying-Hua CHANG Jing-Zhen li xue-mei ZHANG lin Science and Technology on Shock Wave and Detonation Physics Laboratory Institute of Fluid PhysicsP.O.Box 919-102Mianyang 621900 Institute of Structural Mechanics China Academy of Engineering PhysicsMianyang 621900

The multiphase equation of states (EOSs) of both the solid and liquid phases of Al and Ta are *** EOSs are carried out on the basis of the Helmholtz free energy,where the ion vibration free energy is evaluated from the mean field potential (MFP) model we recently proposed [Physica B 406 (2011)4163].The calculated results show that our multiphase EOSs can give a good reproduction of the measured phase diagrams and other experimental data,including static high-pressure measurements,shock Hugoniots and the thermodynamic quantities of these metals.

关键词： multiphase Solid thermodynamic

基于“通调三焦”法探讨推拿联合八段锦对老年人群心肺功能、睡眠质量及心境状态的影响

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时珍国医国药 2024年第8期35卷 1948-1951页

作者：陈开珍郑美黄建峰王秀荣谢志君李雪梅周小炫福建中医药大学附属康复医院福建福州350003 福建省康复技术重点实验室福建福州350003

目的基于“通调三焦”法探讨推拿联合八段锦对老年人群心肺功能、睡眠质量及心境状态的影响。方法根据随机数字表法将66例老年患者分为观察组与对照组,每组33例。观察组予以“通调三焦”推拿法干预3次/周,八段锦锻炼5次/周;对照组予... 详细信息

目的基于“通调三焦”法探讨推拿联合八段锦对老年人群心肺功能、睡眠质量及心境状态的影响。方法根据随机数字表法将66例老年患者分为观察组与对照组,每组33例。观察组予以“通调三焦”推拿法干预3次/周,八段锦锻炼5次/周;对照组予以八段锦锻炼5次/周,疗程共12周;采用席勒CS-200运动心肺功能检测系统检测各组的心肺功能指标水平,比较两组干预前后的各项心肺功能指标、匹兹堡睡眠质量指数(PSQI)及简明心境状态量表(BPOMS)评分。结果与对照组相比,观察组心肺功能指标中VCmax、FVC、FEV1、VO_(2)(PEAK)、VO_(2)/kg (AT)、VO_(2)/kg(PEAK)、METS (PEAK)水平明显升高,VE/VCO_(2) slope(AT)水平明显降低,差异均有统计学意义(P<0.05);观察组PSQI、BPOMS评分均低于对照组,差异有统计学意义(P<0.05)。结论基于“通调三焦”法应用推拿联合八段锦锻炼可有效提高老年人群的心肺功能,并改善睡眠质量以及心境状态。

关键词：推拿八段锦老年心肺功能通调三焦

新型冠状病毒感染“乙类乙管”后深圳市盐田区急性呼吸道感染的超额住院及住院费用结构变化分析

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现代预防医学 2024年第18期51卷 3346-3350+3357页

作者：林凯刘雅文古丽斯徐震东黄仁湛罗诗丽于海航李雪梅深圳市盐田区疾病预防控制中心传染病防制科

目的探讨在呼吸道感染疾病的流行模式发生变化背景下的深圳市盐田区急性呼吸道感染(不含新型冠状病毒感染)超额住院情况以及住院费用结构变化情况，为制定循证公共卫生政策以及疾病负担做出合理控制提供信息。方法基于区域卫生信息平... 详细信息

目的探讨在呼吸道感染疾病的流行模式发生变化背景下的深圳市盐田区急性呼吸道感染(不含新型冠状病毒感染)超额住院情况以及住院费用结构变化情况，为制定循证公共卫生政策以及疾病负担做出合理控制提供信息。方法基于区域卫生信息平台，采集2020—2023年盐田区急性呼吸道感染住院患者的数据资料，应用调整Serfling回归模型估计超额住院情况，应用结构变动度分析法、灰色关联分析法对住院费用结构及项目关联情况进行定量分析。结果 2023年急性呼吸道感染超额住院发病1 698例，超额率170.82%,占该年总住院人数的63.08%,病毒、支原体感染的病例增加，可能是发生超额住院的主要原因之一。住院费用结构发生变化，诊断类费用结构变动值、贡献率和关联度均最大。结论 2023年急性呼吸道感染超额住院超额率高，住院费用结构也发生变化。应不断健全监测系统，以捕获异常流行或超额住院情况，为医疗资源准备、分配提供依据；不断加强临床路径管理，减轻患者经济负担。

关键词：流行模式急性呼吸道感染超额发病住院费用结构

Synthesis and Characterization ofN-(2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl)-thiocarbamic-4-hydroxy-benzoyl Hydrazine Dihydrate

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Chemical Research in Chinese Universities 2005年第5期21卷 545-548页

作者： ZHANG Shu-sheng YE Su-juan li xue-mei GU Shan-shan liU Qing College of Chemistry and Molecular Engineering Qingdao University of Science and Technology Qingdao 266042 P. R. China

A new complex of N-（ 2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl ） -thiocarbamic 4-hydroxy-benzoyl hydrazine dihydrate, C22 H27 N3 O10S · 2H2 O, was synthesized and its structure was determined by X-ray crystallography and TG/DTG methods. The compound belongs to the orthorhombic system, which crystallizes in space group P212121 , with a = 1. 0275 （ 3 ）, b = 1. 3419 （4）, c = 2. 0234 （ 6 ）, V = 2. 7899 （ 16 ） nm^3, and Z = 4. The hexopyranosyl ring adopts a ^4C1 conformation. All the substituents are at equatorial positions. The molecules are linked into a three-dimensional framework via intermolecular interactions. Atoms O5 and O9 show oositional disorders.

关键词： N-(2,3,4,6-Tetra-O-aeetyl-β-D-glueopyranose Synthesis Crystal structure Characterization

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机器学习算法在药物毒性预测中的应用评价

中国新药杂志 2024年第2期33卷 110-117页

作者：章新友陈豪王芝李雪梅徐华康张亚明周小玲吴地尧江西中医药大学计算机学院南昌330004

目的:基于文献计量法评价机器学习算法在药物毒性预测中的应用现状,为相关研究和应用提供参考借鉴,以促进“医药+信息”学科的交叉发展。方法:以“毒性预测”、“定量构效关系(QSAR)”、“计算毒理学”、“机器学习”等为主题词,组合查... 详细信息

目的:基于文献计量法评价机器学习算法在药物毒性预测中的应用现状,为相关研究和应用提供参考借鉴,以促进“医药+信息”学科的交叉发展。方法:以“毒性预测”、“定量构效关系(QSAR)”、“计算毒理学”、“机器学习”等为主题词,组合查询发表于中国知网、万方等数据库的相关文献,然后依据“所用算法种类”、“所应用的毒性预测环节”进行归类整理,对机器学习算法在药物毒性预测领域的应用现状进行综述。结果:共检索到相关有效文献122篇。机器学习已用于药物毒性预测的毒性数据集处理、药物信息表征筛选、预测模型训练等,其中应用于模型训练任务的算法次数与种类相较更多;虽然各种算法在药物毒性预测领域都有研究应用,而以支持向量机算法、随机森林算法与深度学习算法的应用较多;另外,文献多数认为基于深度学习或集成学习的模型预测性能较高。结论:机器学习算法在毒性预测领域中应用种类较多,而选择算法时需考虑的主要问题是数据集规模大小和算法运算速度,对异常数据、冗余数据、噪声数据的适应性以及算法的实现难度等;计算机辅助毒性预测相较传统的体内体外实验有着较多的优势,但仍有部分亟待解决的难题,包括医药数据相关板块的不少空缺、现有数据质量的亟待提升和药物信息表征如何选择等。

关键词：机器学习药物毒性预测计算毒理学定量构效关系

基于网络药理学和分子对接技术探讨茯苓泽泻片的减肥功能及机制

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神经药理学报 2024年第2期14卷 14-19页

作者：高晓新曹春然李雪梅北京市药品检验研究院国家药品监督管理局创新药物安全研究与评价重点实验室中药成分分析与生物评价北京市重点实验室北京102206

目的:利用网络药理学和分子对接技术探究茯苓泽泻片的减肥作用及机制。方法:根据中医证型和用药经验辩证组方,通过TCMSP数据库和UniProt数据库收集茯苓泽泻片的活性成分和作用靶点;利用DrugBank、OMIM数据库和GeneCards数据库获取肥胖... 详细信息

目的:利用网络药理学和分子对接技术探究茯苓泽泻片的减肥作用及机制。方法:根据中医证型和用药经验辩证组方,通过TCMSP数据库和UniProt数据库收集茯苓泽泻片的活性成分和作用靶点;利用DrugBank、OMIM数据库和GeneCards数据库获取肥胖相关靶点;使用venn diagram得到茯苓泽泻片治疗肥胖的靶点;STRING数据库构建靶蛋白相互作用网络;运用Cytoscape 3.7.2软件构建“药物-成分-关键靶点”网络;利用Metescape数据库对关键靶点进行京都基因与基因组百科全书(Kyoto Encyclopedia of Genes and Genomes,KEGG)富集分析;最后使用PyMOL 2.2和Autodock Tools 1.5.6软件对核心靶点和核心成分进行分子对接。结果:经过拓扑分析,共得到52个关键靶点,PTGS2、PPARG可能是茯苓治疗肥胖的重要靶点;KEGG分析中,Insulin resistance、HIF-1 signaling pathway、PI3K-Akt signaling pathway、Adipocytokine signaling pathway治疗肥胖密切相关;分子对接显示了槲皮素与PTGS2、PPARG对接结果良好,表明槲皮素可能是茯苓泽泻片治疗肥胖的关键成分。结论:茯苓泽泻片对脾虚阴阻肥胖具有减肥功能,主要相关成分为槲皮素,并通过多靶点多途径实现减肥功能。

关键词：茯苓泽泻片网络药理学分子对接肥胖减肥

血清可溶性CD276与晚期高级别浆液性卵巢癌预后及肿瘤免疫浸润相关性分析

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实用医院临床杂志 2024年第1期21卷 123-127页

作者：蒋艳黎雪梅邹吴春任丽何春阳袁莉四川大学华西医院资阳医院/资阳市第一人民医院妇科四川资阳641300 成都市妇女儿童中心医院妇产科四川成都610000

目的探讨血清可溶性CD276(sCD276)与晚期高级别浆液性卵巢癌(HGSOC)预后及肿瘤免疫浸润的相关性。方法将2017年3月至2020年3月资阳市第一人民医院就诊的晚期HGSOC患者73例纳入A组,选取同期入院治疗的其他类型卵巢癌患者80例纳入B组,另选... 详细信息

目的探讨血清可溶性CD276(sCD276)与晚期高级别浆液性卵巢癌(HGSOC)预后及肿瘤免疫浸润的相关性。方法将2017年3月至2020年3月资阳市第一人民医院就诊的晚期HGSOC患者73例纳入A组,选取同期入院治疗的其他类型卵巢癌患者80例纳入B组,另选择80名健康人群作为健康人群组,检测三组血清sCD276表达水平。并依据血清sCD276表达水平中位数将A组分为高表达组(≥451.26 pg/ml)与低表达组(0.05);在A组中,低表达组的无病生存率及总生存率高于高表达组(P<0.05),无病生存时间≥12月组的血清sCD276表达水平低于无病生存时间<12月组(P<0.05);A组患者中sCD276高表达组与低表达组在有无淋巴结转移、术后残余病灶、CD3^(+)阳性、FoxP3^(+)阳性等方面比较有差异统计学意义(P<0.05);经多因素COX比例风险回归分析得出,有术后残余病灶、CD3^(+)阳性、FoxP3^(+)阳性、血清sCD276≥451.26 pg/ml均是晚期HGSOC患者预后的危险因素(P<0.05);经免疫组化法对肿瘤组织检测得出,A组中有59例患者膜CD276表达为阳性,14例患者膜CD276表达为阴性,膜CD276阳性组的血清sCD276表达及FoxP3^(+)阳性比例均明显高于膜CD276阴性组(P<0.05)。结论血清sCD276在晚期HGSOC呈高表达水平,其水平升高与TILs标志物FoxP3^(+)T细胞数量均是晚期HGSOC患者复发或死亡的危险因素,与患者预后关系密切,血清sCD276为晚期HGSOC新辅助化疗期间的免疫应答监测提供了可能性。

关键词：血清sCD276 晚期高级别浆液性卵巢癌预后肿瘤免疫浸润相关性

Discussion on relationship between minimal energy and curve shapes

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Applied Mathematics(A Journal of Chinese Universities) 2014年第4期29卷 379-390页

作者： li xue-mei ZHANG Yong-xia MA Long ZHOU Yuan-feng ZHANG Cai-ming School of Computer Science and Technology Shandong University Shandong Province Key Lab of Digital Media Technology Shandong University of Finance and Economics

Energy minimization has been widely used for constructing curve and surface in the fields such as computer-aided geometric design, computer graphics. However, our testing examples show that energy minimization does not optimize the shape of the curve sometimes. This paper studies the relationship between minimizing strain energy and curve shapes, the study is carried out by constructing a cubic Hermite curve with satisfactory shape. The cubic Hermite curve interpolates the positions and tangent vectors of two given endpoints. Computer simulation technique has become one of the methods of scientific discovery, the study process is carried out by numerical computation and computer simulation technique. Our result shows that：（1） cubic Hermite curves cannot be constructed by solely minimizing the strain energy; （2） by adoption of a local minimum value of the strain energy, the shapes of cubic Hermite curves could be determined for about 60 percent of all cases, some of which have unsatisfactory shapes, however. Based on strain energy model and analysis, a new model is presented for constructing cubic Hermite curves with satisfactory shapes, which is a modification of strain energy model. The new model uses an explicit formula to compute the magnitudes of the two tangent vectors, and has the properties：（1） it is easy to compute; （2） it makes the cubic Hermite curves have satisfactory shapes while holding the good property of minimizing strain energy for some cases in curve construction. The comparison of the new model with the minimum strain energy model is included.

关键词： computer simulation cubic Hermite curve minimum strain energy curve shape.

Effects of Chinese Medicine on Symptoms,Syndrome Evolution,and Lung Inflammation Absorption in COVID-19 Convalescent Patients during 84-Day Follow-Up after Hospital Discharge:A Prospective Cohort and Nested Case-Control Study

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Chinese Journal of Integrative Medicine 2021年第4期27卷 245-251页

作者： li li GOU Chun-yan li xue-mei SONG Wen-yan WANG Xiao-jun li Hong-ying li Hong-yan li Xiu-hui Integrated Traditional Chinese and Western Medicine Center Beijing Youan HospitalCapital Medical UniversityBeijing(100069)China Chronic Disease Management Center Beijing Youan HospitalCapital Medical UniversityBeijing(100069)China Department of Radiology Beijing Youan HospitalCapital Medical UniversityBeijing(100069)China

Objective:To observe the changes of symptoms,Chinese medicine(CM)syndrome,and lung inflammation absorption during convalescence in patients with coronavirus disease 2019(COVID-19)who had not totally recovered after hospital discharge and whether CM could promote the improvement ***:This study was designed as a prospective cohort and nested case-control study.A total of 96 eligible patients with COVID-19 in convalescence were enrolled from Beijing Youan Hospital and Beijing Huimin Hospital and followed up from the hospital discharged *** were divided into the CM(64 cases)and the control groups(32 cases)based on the treatment with or without CM and followed up at 14,28,56,and 84 days after *** the CM group,patients received the 28-day CM treatment according to two types of CM *** in clinical symptoms,CM syndrome,and absorption of lung inflammation were ***:All the 96 patients completed the 84-day follow-up from January 21 to March 28,*** the 84th day of follow-up,respiratory symptoms were less than 5%.There was no significant difference in the improvement rates of symptoms,including fatigue,sputum,cough,dry throat,thirst,and upset,between the two groups(P>0.05).Totally 82 patients(85.42%)showed complete lung inflammation absorption at the 84-day *** day 14,the CM group had a significantly higher absorption rate than the control group(P<0.05)and the relative risk of absorption for CM *** group was 3.029(95%confidence interval:1.026-8.940).The proportions of CM syndrome types changed with time prolonging:the proportion of the pathogen residue syndrome gradually decreased,and the proportion of both qi and yin deficiency syndrome gradually ***:Patients with COVID-19 in convalescence had symptoms and lung inflammation after hospital discharge and recovered with time *** could improve lung inflammation for early *** types of CM syndrome can be transformed wi

关键词： COVID-19 convalescent patient Chinese medicine syndrome evolution pneumonia absorption