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Conformation Changes of Enkephalin in Coordination with Pb^(2+) Investigated by Gas Phase Hydrogen/Deuterium Exchange Mass Spectrometry Combined with Theoretical Calculations

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Chemical Research in Chinese Universities 2022年第2期38卷 572-578页

作者： HAN Jiaru wu fangling YANG Shutong wu Xiaonan TANG Keqi LI Zhenhua DING Chuan-Fan Key Laboratory of Advanced Mass Spectrometry and Molecular Analysis of Zhejiang Province Institute of Mass SpectrometrySchool of Material Science and Chemical EngineeringNingbo UniversityNingbo 315211P.R.China Department of Chemistry Fudan UniversityShanghai 200438P.R.China

In this study, the effects of lead ions(Pb^(2+)) on the conformations of leucine encephalin(LE) and methionine encephalin(ME) in gas phase were studied using hydrogen/deuterium exchange mass spectrometry(HDX-MS) and quantum chemistry theoretical calculations at the molecular level. The HDX-MS result revealed that the complexes with the monovalent compounds [LE+Pb–H]+ and [ME+Pb–H]+had a 1:1 stoichiometric ratio, and different HDX reactivates were observed in a follow of [ME+H]+>[LE+H]+>[LE+Pb–H]+> [ME+Pb–H]+. Combining the collision-induced dissociation energies of the complexes and their HDX results, it was found that the more stable the complex, the harder it was for HDX. In addition, the favo-rable conformations of the complexes were obtained by theoretical calculations, revealing that the similar coordination type with diffe-rent bond lengths was obtained. Then, the proton affinity(PA) values of the optimized complexes were calculated to interpret the HDX observations, indicating that the higher the PA values, the more difficult it was for HDX. Overall, the experiments and theoretical calculations revealed that Pb^(2+) could induce conformational changes of LE and ME, and generate ME into a more rigid conformation than LE. The results will prompt further fundamental investigations on the conformational properties of LE/ME in coordination with Pb^(2+).

关键词： Encephalin Pb^(2+) Gas phase-hydrogen/deuterium exchange(HDX) Theoretical calculation ESI-TOF-MS

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Drug adulteration analysis based on complexation with cyclodextrin and metal ions using ion mobility spectrometry

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Journal of Pharmaceutical Analysis 2023年第3期13卷 287-295页

作者： Zhigang Liang Huanhuan Wang fangling wu Longfei Wang Chenwei Li Chuan-Fan Ding Department of Thoracic Surgery Ningbo First HospitalNingbo UniversityNingboZhejiang315010China Key Laboratory of Advanced Mass Spectrometry and Molecular Analysis of Zhejiang Province Institute of Mass SpectrometrySchool of Material Science and Chemical EngineeringNingbo UniversityNingboZhejiang315211China

Drug adulteration and contamination are serious threats to human health therefore,their accurate monitoring is very ***(Alp)and theophylline(Thp)are commonly used drugs for the treatment of gout and bronchitis,while their isomers hypoxanthine(Hyt)and theobromine(Thm)have no effect and affect the efficacy of the *** this work,the drug isomers of Alp/Hyt and Thp/Thm are simply mixed withα-,β-,γ-cyclodextrin(CD)and metal ions and separated using trapped ion mobility spectrometry-mass spectrometry(TIMS-MS).TIMS-MS results showed that Alp/Hyt and Thp/Thm isomers could interact with CD and metal ions and form corresponding binary or ternary complexes to achieve their TIMS *** metal ions and CDs showed different separation effect for the isomers,among which Alp and Hyt could be successfully distinguished from the complexes of[Alp/Hyt+γ-CD+Cu–H]^(+)with separation resolution(RP–P)of 1.51;whereas Thp and Thm could be baseline separated by[Thp/Thm+γ-CD+Ca–H]^(+)with RP–P of ***,chemical calculations revealed that the complexes were in the inclusion forms,and microscopic interactions were somewhat different,making their mobility ***,relative and absolute quantification was investigated with an internal standard to determine the precise isomers content,and good linearity(R^(2)>0.99)was ***,the method was applied for the adulteration detection where different drugs and urine were *** addition,due to the advantages of fast speed,simple operation,high sensitivity,and no chromatographic separation required,the proposed method provides an effective strategy for the drug adulteration detection of isomers.

关键词： Drug isomer Adulteration Separation Ion mobility Chemical calculations

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ETME,a novel β-elemene derivative,synergizes with arsenic trioxide in inducing apoptosis and cell cycle arrest in hepatocarcinoma cells via a p53-dependent pathway

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Acta Pharmaceutica Sinica B 2014年第6期4卷 424-429页

作者： Zhiying Yu fangling wu Liang Chen Qian Li Chaojie Wang Jinhua Dong Song-qiang Xie Food and Drug Vocational College of Guangdong Guangzhou 510520China Institute of Chemical Biology Pharmaceutical College of Henan UniversityKaifeng 475004China The Key Laboratory of Natural Medicine and Immuno-Engineering Henan UniversityKaifeng 475004China Key Laboratory of Structure-Based Drug Design and Discovery Ministry of Education Shenyang Pharmaceutical UniversityShenyang 110015China

Arsenic trioxide(ATO)has been identified as an effective treatment for acute promyelocytic leukemia(APL)but is much less effective against solid tumors such as hepatocellular carcinoma(HCC).In the search for ways to enhance its therapeutic efficacy against solid tumors,we have examined its use in combination with a novel derivative ofβ-elemene,N-(β-elemene-13-yl)tryptophan methyl ester(ETME).Here we report the effects of the combination on cell viability,apoptosis,the cell cycle and mitochondria membrane potential(MMP)in HCC SMMC-7721 *** found that the two compounds acted synergistically to enhance antiproliferative activity and *** combination also decreased the MMP,down-regulated Bcl-2 and pro-proteins of the caspase family,and up-regulated Bax and BID,all of which were reversed by the p53 inhibitor,pifithrin-α.In addition,the combination induced cell cycle arrest at the G2/M phase and reduced tumor volume and weight in an xenograft model of nude ***,the results suggest that ETME in combination with ATO may be useful in the treatment of HCC patients particularly those unresponsive to ATO alone.

关键词： Hepatocarcinoma β-Elemene derivative As2O3 Apoptosis p53

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体位管理在盆腔肿瘤腹腔镜手术中的应用价值

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实用妇科内分泌电子杂志 2024年第11期11卷 94-96页

作者：刘晓亮谭菊花伍芳玲孟淋曹婵广西医科大学附属肿瘤医院麻醉手术部广西南宁530021

目的探究体位管理在盆腔肿瘤腹腔镜手术中的应用价值。方法选取160例拟行盆腔肿瘤腹腔镜手术患者,依据随机数字表法分为观察组(体位管理)和对照组(常规体位),每组80例。比较两组患者术后干预效果。结果观察组患者术后10h、20h、30h下肢... 详细信息

目的探究体位管理在盆腔肿瘤腹腔镜手术中的应用价值。方法选取160例拟行盆腔肿瘤腹腔镜手术患者,依据随机数字表法分为观察组(体位管理)和对照组(常规体位),每组80例。比较两组患者术后干预效果。结果观察组患者术后10h、20h、30h下肢舒适比例高于对照组,下肢静脉压力、股静脉血流速度、并发症发生率均低于对照组(P<0.05)。结论体位管理在盆腔肿瘤腹腔镜手术中的应用效果显著,值得临床推广。

关键词：体位管理盆腔肿瘤腹腔镜手术下肢静脉压

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Applications and recent advances in transdermal drug delivery systems for the treatment of rheumatoid arthritis

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Acta Pharmaceutica Sinica B 2023年第11期13卷 4417-4441页

作者： Yuyi Xu Ming Zhao Jinxue Cao Ting Fang Jian Zhang Yanli Zhen fangling wu Xiaohui Yu Yaming Liu Ji Li Dongkai Wang Department of Pharmaceutics School of PharmacyShenyang Pharmaceutical UniversityShenyang 110016China

Rheumatoid arthritis is a chronic,systemic autoimmune disease predominantly based on joint lesions with an extremely high disability and deformity *** drugs have been used for the treatment of rheumatoid arthritis,but their use is limited by suboptimal bioavailability,serious adverse effects,and nonnegligible first-pass *** contrast,transdermal drug delivery systems(TDDSs)can avoid these drawbacks and improve patient compliance,making them a promising option for the treatment of rheumatoid arthritis(RA).Of course,TDDSs also face unique challenges,as the physiological barrier of the skin makes drug delivery somewhat *** overcome this barrier and maximize drug delivery efficiency,TDDSs have evolved in terms of the principle of transdermal facilitation and transdermal facilitation technology,and different generations of TDDSs have been derived,which have significantly improved transdermal efficiency and even achieved individualized controlled drug *** this review,we summarize the different generations of transdermal drug delivery systems,the corresponding transdermal strategies,and their applications in the treatment of RA.

关键词： Rheumatoid arthritis Transdermal drug delivery systems Different generations Enhancement strategies Drug therapy Transdermal delivery mechanism Advanced devices Microneedles

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医学生志愿服务对医学教育的意义与思考

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中国继续医学教育 2024年第11期16卷 190-194页

作者：董文霞吴芳绫芦慧徐佳慧徐德武郑小巍江南大学附属医院肾内科江苏无锡214125 江南大学无锡医学院临床医学系江苏无锡214125 江南大学附属医院肿瘤内科江苏无锡214125 江南大学附属医院教育处江苏无锡214125 江南大学无锡医学院公共卫生与预防医学系江苏无锡214125

医学生作为志愿者参与志愿服务时,不仅能让其将自身所学的理论知识与实践相结合,提高其专业水平,而且可以培养其人文素养。医学生志愿服务是医学院校开展思想政治教育的有效载体,在树立医学生正确的世界观、人生观和价值观以及提升实践... 详细信息

医学生作为志愿者参与志愿服务时,不仅能让其将自身所学的理论知识与实践相结合,提高其专业水平,而且可以培养其人文素养。医学生志愿服务是医学院校开展思想政治教育的有效载体,在树立医学生正确的世界观、人生观和价值观以及提升实践能力等方面发挥着重要作用,其所具有的职业特性和奉献精神传递着爱心和奉献,对促进社会进步也具有积极作用。文章以医学生志愿服务的起源为出发点,介绍了医学生志愿服务的发展过程及现状,阐述了其对本科医学教育的意义和重要性;总结概括了目前我国医学生志愿服务存在的4个方面的问题,并在此基础上探讨了新时期医学生志愿服务发展的方向与路径,为进一步优化志愿服务育人功能,增强思想政治教育的时代感染力提供了参考。

关键词：医学生志愿者志愿服务医疗服务医学教育思想政治教育

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Investigation of conformational dynamic of protonated and potassiated of the methionine and leucine encephalin by hydrogen/deuterium exchange-Mass spectrum

Investigation of conformational dynamic of protonated and po...

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第三届全国质谱分析学术报告会

作者： fangling wu Chuan-Fan Ding Institute of Laser Chemistry Department of Chemistry Fudan University

Enkephalin is composed of two endogenous pentapeptides:methionine enkephalin （MEK） and leucine enkephalin （LNK）, which exhibited morphine opioid activity and received considerable interest since they hadactedasagonsitsatopiatereceptorsites[1].Bothofthemarelowmolecularweightpeptideand internally derived in brain and bind to the body‘s opioid receptors [2]. A large number of molecules and metal ions in the body, such as Na+and K+, and some of them could significantly affect the properties and bioactive of encephalin [3].Both MEK and LNK are pentapeptide possessing eight labile hydrogen atoms in their neutral forms,***,adirectcomparisonofconformational dynamicsdifferenceinprotonatedandpotassiatedMEKandLNKwasinvestigatedbygas-phase hydrogen/deuterium exchange-electrospray ionization mass spectrometry （HDX-ESI-MS） with *** results of the mass spectrum distribution as shown in Fig. 1, critical difference in HDX results for their protonated and potassiated affinities were observed. The protonated affinities （Fig. 1a and Fig. 1b）with a longer trapping time related higher deuterium uptake （eight and nine H exchanged for the protonated LNK and MEK） within 32s, but the potassiated affinities （Fig.1 c and Fig.1 d） with a shorter trapping time related lower deuterium uptake （four and five H exchanged for the potassiated LNK and MEK） within ***,whichthepotassiatedaffinitiesarefoldedor more buried/ordered that with lower deuterium up-taking conformers.

关键词： MEK and LNK conformational dynamic protonated and potassiated HDX-MS

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Antibiotic analysis using Electro-Filtering Paper Spray Ionization

Antibiotic analysis using Electro-Filtering Paper Spray Ioni...

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2018年中国质谱学术大会（CMSC2018）

作者： fangling wu Liang Wang Fuxing Xu Chuan-Fan Ding Department of Chemistry Fudan University

Antibiotic resistance is a major global concern due to their widespread and illegal use as feed additives for livestock, which represents a potential risk for human health [1]. However, to ensure food safety, a systematic, comprehensive, and high-throughput approach to the quality assessment and control of antibiotic contamination in animal products is essential. Paper spray(PS) is an attractive method, first developed by Ouyang et al [2], that possesses the features of both capillary-ESI and ambient ionization methods and allows sample analysis in their native environment. However, for solid or powder samples, the weight of the sample should be considered to prevent paper deformation. Therefore, other ambient ionization methods derived from PS have been developed. In this research, metal Electro-Filtering Paper Spray Ionization(EFSI) was developed for the direct analysis of soil samples. Aanalytical parameters of the method were validated by testing animal products(egg, chicken, and chicken liver) for four antibiotics of tetracycline(TC), oxytetracycline(OTC), chlortetracycline(CLOR), and erythromycin(ERY). Hence, the proposed EFSI-MS is a successful, economical, rapid, and high-throughput method that effective for targeted or unknown extraction of unprocessed samples by mass spectrometric analysis.

关键词： Electro-Filtering Paper Spray Ionization mass spectrometry high-throughput,extraction efficiency antibiotic analysis

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整体柱在线固相微萃取-高效液相色谱同步富集检测水中的苯氧羧酸类除草剂

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色谱 2015年第8期33卷 849-855页

作者：王家斌吴芳玲赵琦福州大学生物和医药技术研究院福建福州350002

采用C18毛细管整体柱作为固相微萃取整体柱,构建在线固相微萃取-高效液相色谱联用系统,同步富集检测环境水样中的5种苯氧羧酸类除草剂。详细考察了联用系统运行条件对富集检测的影响。联用系统运行最佳参数为：固相微萃取整体柱长度20 ... 详细信息

采用C18毛细管整体柱作为固相微萃取整体柱,构建在线固相微萃取-高效液相色谱联用系统,同步富集检测环境水样中的5种苯氧羧酸类除草剂。详细考察了联用系统运行条件对富集检测的影响。联用系统运行最佳参数为：固相微萃取整体柱长度20 cm,进样流速0.04 m L/min,进样13 min,洗脱流速0.02 m L/min,洗脱5 min。在最佳条件下,5种苯氧羧酸类除草剂的检出限为：9μg/L（苯氧丙酸）、4μg/L（2-（2-氯）-苯氧丙酸）、4μg/L（2-（3-氯）-苯氧丙酸）、5μg/L（2,4-二氯苯氧乙酸）、5μg/L（2-（2,4-二氯苯氧基）丙酸）。与HPLC系统直接进样对比,联用系统对5种检测对象表现出优良的富集能力。5种苯氧羧酸类除草剂的回收率在79.0%～98.0%之间（RSD≤3.9%）。该方法成功应用于水样中5种苯氧羧酸类除草剂的检测,结果令人满意。

关键词：在线固相微萃取高效液相色谱苯氧羧酸类除草剂整体柱同步富集检测

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急性脑卒中并发肺部感染分析

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中国实用内科杂志 2005年第7期25卷 619-620页

作者：吴芳玲黄冬雅上海同济大学医学院附属同济医院神经内科 200065

目的探讨急性脑卒中患者肺部感染的高发因素及并发肺部感染对预后的影响,寻求降低肺部感染率的方法。方法分析1996-2003年间上海同济大学附属同济医院神经内科急性脑卒中患者391例,采用卡方检验法分析肺部感染率与患者年龄、病种、病情... 详细信息

目的探讨急性脑卒中患者肺部感染的高发因素及并发肺部感染对预后的影响,寻求降低肺部感染率的方法。方法分析1996-2003年间上海同济大学附属同济医院神经内科急性脑卒中患者391例,采用卡方检验法分析肺部感染率与患者年龄、病种、病情、基础疾病及预后的关系。结果高龄、病情重、原有糖尿病、心脏病、肿瘤、免疫系统疾病及中风史患者,其肺部感染率明显升高,并发肺部感染的脑卒中患者病死率明显升高。结论控制院内肺部感染可有效提高脑卒中救治成功率。

关键词：急性脑卒中肺部感染

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