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Theoretical calculation and experimental study on the interaction mechanism between TKX-50 and AP

Defence Technology（防务技术） 2020年第4期16卷 825-833页

作者： Jun Tao Xiao-feng Wang Kun Zhang xue-song feng The Second Department Xi'an Modern Chemistry Research InstituteXi'an 710065China

The combination of 5,5'-bistetrazole-1,1'-diolate(TKX-50) and ammonium perchlorate(AP) can make greater use of the chemical energy of TKX-50 based energetic *** research on the interaction mechanism between TKX-50 and AP is very important for designing TKX-50-AP compounds and judging the formation feasibility of composite particles,which can lay a theoretical foundation for the preparation of TKX-50-AP mixed crystals and the application of TKX-50 in propellant,propellant and ***,in order to research the interaction mechanism between TKX-50 and AP,density-functional theory calculation was applied to optimize three configurations of TKX-50-AP *** geometry structure,electrostatic potential and binding energy of the compounds were predicted,and the electronic density topological analysis was also carried *** TKX-50-AP mixed crystals structures were constructed,and the radial distribution function of H-O and H-N in mixed crystals was ***,solvent/non-solvent method was applied to prepare TKX-50-AP composites,and the infrared spectro scopy and the non-isothermal decomposition perfo rmance of the composites were *** show that the superposition of positive charges in TKX-50 molecule and negative charges in AP makes the electrostatic potential distributions of TKX-50-AP compounds different from that of TKX-50 and *** interaction energies of TKX-50-AP 1,TKX-50-AP 2 and TKX-50-AP 3 are 39.743 kJ/mol,61.206 kJ/mol and 27.702 kJ/mol,*** interaction between TKX-50 molecules and AP molecules in TKX-50-AP mixed crystals both depends on hydrogen bonds and van der Waals force,and the number and strength of hydrogen bonds are significantly greater than that of van der Waals *** composition of AP and TKX-50 makes the absorption peak of the five-membered rings and NH_3 OH^+ of TKX-50 shift to low wavenumber in the infrared *** general,TKX-50 interacts with AP via hydrogen bonds and va

关键词： 5,5'-bistetrazole-1,1'-diolate Ammonium perchlorate Density-functional theory Molecular dynamics Hydrogen bond

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HMGB2 knockdown ameliorates retinal ganglion cell injury by inhibiting NLRP3 inflammasome activation after retinal ischemia

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International Journal of Ophthalmology(English edition) 2025年第1期18卷 39-50页

作者： Lin-Ping xue Hai-song feng Hubei University of Chinese Medicine Wuhan 430065Hubei ProvinceChina Department of Encephalopathy Hubei Provincial Hospital of Traditional Chinese MedicineWuhan 430070Hubei ProvinceChina

AIM:To explore the neuroprotective effects of high mobility group box 2(HMGB2)knockdown on retinal ganglion cells(RGCs)in the retinal ischemia-reperfusion injury(RIRI).METHODS:Oxygen-glucose deprivation(OGD)-injured RGCs from postnatal three-day C57BL/6 mice pups and high intraocular pressure(IOP)-induced RIRI mice were used as cellular and animal models of *** expression of HMGB2 in the retina of RIRI mice and OGD-injured RGCs was detected through reverse transcription-polymerase chain reaction(RT-qPCR)and Western *** effects of HMGB2 silencing on the morphological changes,RGCs survival,and cell apoptosis in mouse retinal tissues were observed through H&E staining,immunofluorescence staining with RNA-binding protein with multiple splicing(RBPMS)antibody,and TUNEL staining,*** viability and apoptosis were examined by CCK-8 and flow cytometry *** levels of proteins associated with NOD-like receptor thermal protein domain associated protein 3(NLRP3)-mediated pyroptosis[NLRP3,Caspase-1,GSDMD-N,interleukin(IL)-1β,IL-18]in vivo and in vitro were measured by Western ***:HMGB2 protein and NLRP3 were upregulated in the retina of RIRI mice and OGD-injured RGCs(P<0.001).The retina was edematous,accompanied by disorganized cell arrangement and decreased thickness of all layers,and obvious vacuoles in ganglion cell ***2 silencing alleviated the reduction in total retinal thickness and the severity of retinal tissue damage as well as suppressed RGC loss and retinal cell apoptosis in RIRI ***-induced RGC apoptosis was ameliorated after downregulation of HMGB2 in *** injection of the AAV-sh-HMGB2 and si-HMGB2 resulted in significantly decrease of NLRP3,Caspase-1,GSDMD-N,IL-1β,and IL-18 protein levels in the retinal tissues of RIRI mice and OGD-injured RGCs,respectively(all P<0.001).CONCLUSION:HMGB2 knockdown protects against RGC apoptosis and pyroptosis after RIRI through suppressing NLRP3 inflammasome activ

关键词： HMGB2 retinal ischemia-reperfusion injury retinal ganglion cell apoptosis pyroptosis NLRP3 mice

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Two new secoiridoid glucosides from Syringa velutina Kom

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Chinese Chemical Letters 2009年第6期20卷 702-705页

作者： xue song feng Yang Qu Zhao Hua Wu Lei Xu Dong song Zhang Hui Yuan Gao Li Jun Wu School of Traditional Chinese Medicines Shenyang Pharmaceutical University Shenyang 110016 China School of Pharmaceutical Sciences China Medical University Shenyang 110001 China Pharmacy Department Mudanjiang Medical University Mudanjiang 157011 China

Chemical investigation of Syringa velutina Kom. led to the isolation of two new secoiridoid glucosides. Their structures were identified as 6＇-O-（6, 7-dihyrofoliamenthoyl）-8-epi-longisidic acid （syrveoside A, 1） and 6＇-O-menthiafoloyl-8-epi-ldngisidic acid （syrveoside B, 2） on the basis of chemical and physicochemical evidence.

关键词： Syringa velutina Kom. Secoiridoid glucosides Syrveoside A Syrveoside B

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Benzodiazepines in complex biological matrices: Recent updates on pretreatment and detection methods

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Journal of Pharmaceutical Analysis 2023年第5期13卷 442-462页

作者： Yi-Xin Zhang Yuan Zhang Yu Bian Ya-jie Liu Ai Ren Yu Zhou Du Shi xue-song feng School of Pharmacy China Medical UniversityShenyang110122China Department of Pharmacy National Cancer Center/National Clinical Research Centerfor Cancer/Cancer Hospital ChineseAcademy of Medical Sciences and Peking Union Medical CollegeBeijing100021China Department of Urology The First Hospital of China Medical UniversityShenyang110001China

Benzodiazepines(BDZs)are used in clinics for anxiolysis,anticonvulsants,sedative hypnosis,and muscle *** have high consumptions worldwide because of their easy availability and potential *** are often used for suicide or criminal practices such as abduction and drug-facilitated sexual *** pharmacological effects of using small doses of BDZs and their detections from complex biological matrices are *** pretreatment methods followed by accurate and sensitive detections are ***,pretreatment methods for the extraction,enrichment,and preconcentration of BDZs as well as the strategies for their screening,identification,and quantitation developed in the past five years have been ***,recent advances in various methods are *** and advantages of each method are *** directions of the pretreatment and detection methods for BDZs are also reviewed.

关键词： Benzodiazepine Biological matrices Detectionmethods Samplepreparation

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Pretreatment and analysis techniques development of TKIs in biological samples for pharmacokinetic studies and therapeutic drug monitoring

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Journal of Pharmaceutical Analysis 2024年第4期14卷 439-459页

作者： Lan Chen Yuan Zhang Yi-Xin Zhang Wei-Lai Wang De-Mei Sun Peng-Yun Li xue-song feng Yue Tan School of Pharmacy China Medical UniversityShenyang110122China Institute of Pharmacology and Toxicology Institution National Engineering Research Center for Strategic DrugsBeijing100850China Department of Gastroenterology Shengjing Hospital of China Medical UniversityShenyang110022China

Tyrosine kinase inhibitors(TKIs)have emerged as the first-line small molecule drugs in many cancer therapies,exerting their effects by impeding aberrant cell growth and proliferation through the modulation of tyrosine kinase-mediated signaling ***,there exists a substantial inter-individual variability in the concentrations of certain TKIs and their metabolites,which may render patients with compromised immune function susceptible to diverse infections despite receiving theoretically efficacious anticancer treatments,alongside other potential side effects or adverse ***,an urgent need exists for an up-to-date review concerning the biological matrices relevant to bioanalysis and the sampling methods,clinical pharmacokinetics,and therapeutic drug monitoring of different *** paper provides a comprehensive overview of the advancements in pretreatment methods,such as protein precipitation(PPT),liquid-liquid extraction(LLE),solid-phase extraction(SPE),micro-SPE(μ-SPE),magnetic SPE(MSPE),and vortex-assisted dispersive SPE(VA-DSPE)achieved since *** also highlights the latest analysis techniques such as newly developed high performance liquid chromatography(HPLC)and high-resolution mass spectrometry(HRMS)methods,capillary electrophoresis(CE),gas chromatography(GC),supercritical fluid chromatography(SFC)procedures,surface plasmon resonance(SPR)assays as well as novel nanoprobes-based biosensing *** addition,a comparison is made between the advantages and disadvantages of different approaches while presenting critical challenges and prospects in pharmacokinetic studies and therapeutic drug monitoring.

关键词： TKIs Microextraction technique HRMS methods Pharmacokinetic studies Therapeutic drug monitoring

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Long-distance spread of Tembusu virus,and its dispersal in local mosquitoes and domestic poultry in Chongming Island,China

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Infectious Diseases of Poverty 2023年第3期12卷 94-95页

作者： Yuan Fang Tian Hang Li-Min Yang Jing-Bo xue Ryosuke Fujita xue-song feng Tian-Ge Jiang Yi Zhang Shi-Zhu Li Xiao-Nong Zhou School of Global Health Chinese Center for Tropical Diseases ResearchShanghai Jiao Tong University School of MedicineShanghaiChina National Institute of Parasitic Diseases Chinese Center for Disease Control and Prevention(Chinese Center for Tropical Diseases Research)NHC Key Laboratory of Parasite and Vector BiologyWHO Collaborating Centre for Tropical DiseasesNational Center for International Research on Tropical DiseasesShanghaiChina Laboratory of Sanitary Entomology Faculty of AgricultureKyushu UniversityFukuokaJapan Shanghai Chongming Dongtan National Nature Reserve ShanghaiChina

Background Chongming Island in China serves as a breeding and shelter point on the East Asian–Australasian *** resting frequency of migratory birds,abundance of mosquito populations,and the popular domestic poultry industry pose a potential risk of mosquito-borne zoonotic *** aim of this study is to explore the role of migratory birds in the spread of mosquito-borne pathogens and their prevalent status on the *** We conducted a mosquito-borne pathogen surveillance in 2021,in Chongming,Shanghai,***‑mately 67,800 adult mosquitoes belonging to ten species were collected to investigate the presence of faviviruses,alphaviruses,and orthobunyaviruses by *** and phylogenetic analyses were conducted to explore the virus genotype and potential nature *** survey was performed by ELISA to characterize Tembusu virus(TMUV)infection among domestic *** Two strains of TMUV and Chaoyang virus(CHAOV)and 47 strains of Quang Binh virus(QBV)were detected in 412 mosquito pools,with the infection rate of 0.16,0.16,and 3.92 per 1000 Culex tritaeniorhynchus,***‑thermore,TMUVs viral RNA was found in serum samples of domestic chickens and faecal samples of migratory *** against TMUV were detected in domestic avian serum samples,generally ranging from 44.07%in pigeons to 55.71%in *** analyses indicated that the TMUV detected in Chongming belonged to Cluster 3,Southeast Asia origin,and most closely related to the CTLN strain,which caused a TMUV outbreak in chickens in Guangdong Province in 2020,but distant from strains obtained previously in Shanghai,which were involved in the 2010 TMUV outbreak in *** We speculate that the TMUV was imported to Chongming Island through long-distance spreading by migratory birds from Southeast Asia,followed by spill over and transmission in mosquitoes and domestic avian species,threatening the local domestic *** addition,the exp

关键词： Chaoyang virus Emerging zoonotic vector-borne disease Insect-specifc favivirus Mosquito-borne virus Quang Binh virus

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Oxygen atmosphere enhances ball milling remediation of petroleum-contaminated soil and reuse as adsorptive/catalytic materials for wastewater treatment

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Journal of Environmental Sciences 2025年第1期147卷 652-664页

作者： Pingting Gao Simin song Mingxin Wang Meng Yao Jinjuan xue School of Environmental Science and Engineering Changzhou UniversityChangzhou 213164China Jiangsu Petrochemical Safety and Environmental Protection Engineering Research Center Changzhou 213164China

Ball milling is an environmentally friendly technology for the remediation of petroleumcontaminated soil(PCS),but the cleanup of organic pollutants requires a long time,and the post-remediation soil needs an economically viable disposal/reuse strategy due to its vast *** present paper develops a ball milling process under oxygen atmosphere to enhance PCS remediation and reuse the obtained carbonized soil(BCS-O)as wastewater treatment *** total petroleum hydrocarbon removal rates by ball milling under vacuum,air,and oxygen atmospheres are 39.83%,55.21%,and 93.84%,*** Langmuir and pseudo second-order models satisfactorily describe the adsorption capacity and behavior of BCS-O for transition *** Cu^(2+),Ni^(2+),and Mn^(2+)adsorbed onto BCS-O were mainly bound to metal carbonates and metal ***,BCS-O can effectively activate persulfate(PDS)oxidation to degrade aniline,while BCS-O loaded with transition metal(BCS-O-Me)shows better activation efficiency and ***-O and BCS-O-Me activated PDS oxidation systems are dominated by^(1)O_(2)oxidation and electron *** main active sites are oxygen-containing functional groups,vacancy defects,and graphitized *** oxygen-containing functional groups and vacancy defects primarily activate PDS to generate^(1)O_(2)and attack *** carbon promotes aniline degradation by accelerating electron *** paper develops an innovative strategy to simultaneously realize efficient remediation of PCS and sequential reuse of the postremediation soil.

关键词： Petroleum-contaminated soil Ball milling Oxygen atmosphere Pyrolysis Resource utilization

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状态空间下列车区段晚点预测误差控制

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东北大学学报（自然科学版） 2021年第4期42卷 494-500,508页

作者：张路凯冯雪松北京交通大学交通运输学院北京100044

考虑区段间信息级联效应,提出一种状态空间下的列车晚点预测误差控制分析架构.应用拟合回归方法处理运行统计数据以确定常微分方程组,根据现代控制理论设计一种减小误差的线性二次调节器,并通过推导论证为所提方法提供合理性支撑.设计... 详细信息

考虑区段间信息级联效应,提出一种状态空间下的列车晚点预测误差控制分析架构.应用拟合回归方法处理运行统计数据以确定常微分方程组,根据现代控制理论设计一种减小误差的线性二次调节器,并通过推导论证为所提方法提供合理性支撑.设计了双温模拟退火算法以获取调节器的优化参数,并结合SIMULINK环境实现仿真计算.结果表明,相较于传统贝叶斯网络预测方法,所提出的状态空间分析方法对各项误差性能指标具有不同程度的改善,且在平均误差值、数据需求量和运算时间等计算指标上具有优势.

关键词：交通信息工程及控制运行区段晚点预测误差控制参数优化双温模拟退火算法

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无梗五加根化学成分的UPLC-MS/MS分析及与细柱五加、刺五加的比较

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药物分析杂志 2014年第6期34卷 958-965页

作者：宋洋冯雪松中国医科大学药学院药物分析教研室沈阳110001

目的：分析无梗五加、细柱五加和刺五加根中的化学成分并将三者进行比较。方法：运用UPLC-MS/MS对无梗五加、细柱五加和刺五加根中的化学成分进行一级和二级质谱分析，通过与对照品色谱峰的保留时间以及一级、二级质谱图比对鉴定其... 详细信息

目的：分析无梗五加、细柱五加和刺五加根中的化学成分并将三者进行比较。方法：运用UPLC-MS/MS对无梗五加、细柱五加和刺五加根中的化学成分进行一级和二级质谱分析，通过与对照品色谱峰的保留时间以及一级、二级质谱图比对鉴定其中的已知成分，并根据一级二级质谱信息推测未知成分的化学结构。色谱-质谱条件：采用Acquity UPLCTM BEH C18色谱柱（1.7 μm，100 mm×2.1 mm），以乙腈（A）-2 mmol·L^-1醋酸铵水（B）为流动相，梯度洗脱（0-15 min，8%A→25%A；15-30 min，25%A→55%A；30-40 min，55%A→80%A），流速0.15 mL·min^-1；质谱离子源为电喷雾离子化（ESI）源，正、负离子检测。结果：从3种五加属植物根中共鉴定了13个化合物，包括奎宁酸类成分如1，3-二咖啡酰奎宁酸、3，4-二咖啡酰奎宁酸、3，5-二咖啡酰奎宁酸；酚苷类成分如紫丁香苷；木脂素类成分如松脂醇二葡萄糖苷、无梗五加苷B、无梗五加苷D、芝麻脂素、细辛脂素、洒维宁、台湾脂素C、台湾脂素E、赛菊宁黄脂。同时推测了15个化合物，包括奎宁酸类成分如一咖啡酰奎宁酸、对香豆酰奎宁酸、阿魏酰奎宁酸；酚苷类成分如紫丁香树脂酚二葡萄糖苷、松柏苷、松柏醛葡萄糖苷、芥子醛葡萄糖苷；木脂素类成分如紫丁香苷A、紫丁香苷B、Simplexoside、Pluviatolide、3-（3，4-二甲氧基苄基）-2（3，4-亚甲基二氧苄基）丁内酯；黄酮类成分如安妥苷；香豆素类成分如刺五加苷B2、异嗪皮啶。将3种五加根中的化学成分进行比较，无梗五加根与细柱五加根成分比较相近，刺五加根中含有在无梗五加根和细柱五加根中未检测到的多种酚苷类成分如紫丁香树脂酚二葡萄糖苷、松柏苷、紫丁香苷、松柏醛葡萄糖苷、芥子醛葡萄糖苷。结论：无梗五加根和细柱五加根中的化学成分组成比较相似，从化学成分的角度验证了《中华本草》中对“五加皮”的来源记载，即“五加皮”为细柱五加和无梗五加植物的根皮；二者化学成分与刺五加差别较大，在药用过程中应进行区分。

关键词：无梗五加细柱五加刺五加酚苷木脂素超高效液相色谱-串联质谱

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炸药在等离子体起爆下的能量输出特性

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火炸药学报 2017年第6期40卷 83-86页

作者：薛乐星冯博赵娟封雪松冯晓军西安近代化学研究所陕西西安710065

为了得到炸药在等离子体起爆下的能量输出特性,选择空气中炸药冲击波超压和爆热作为能量输出的特征参数,金属丝电爆炸作为等离子体产生源,测定了TNT在镍铬合金丝(Ni-Cr)、钨丝(W)、钼丝(Mo)和铜丝(Cu)等离子体起爆下的空气中冲击波超压... 详细信息

为了得到炸药在等离子体起爆下的能量输出特性,选择空气中炸药冲击波超压和爆热作为能量输出的特征参数,金属丝电爆炸作为等离子体产生源,测定了TNT在镍铬合金丝(Ni-Cr)、钨丝(W)、钼丝(Mo)和铜丝(Cu)等离子体起爆下的空气中冲击波超压曲线,分析了金属材质对冲击波超压的影响;基于爆热量热仪和等离子体发生装置测定了TNT、RDX和HMX的爆热。结果表明,各类等离子体均可以起爆TNT,合金丝在等离子体起爆下的冲击波超压明显高于单质金属丝,冲击波峰值超压大小顺序为Ni-Cr>W>Mo>Cu;TNT、RDX和HMX在Ni-Cr等离子体起爆下的爆热值分别是4 304.1、5 491.7和6 254.8J/g,爆热值均大于装药密度超过80%理论最大密度下的文献值,表明等离子体起爆有助于提高炸药的能量释放效率和爆轰完全性。

关键词：爆炸力学等离子体起爆能量输出冲击波超压爆热

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