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chemical Research in Chinese Universities 2014年第5期30卷 731-737页

作者： MA Jingwei KAN Hong MA Yinghui MEN Lihui PI Zifeng LIU Zhiqiang LIU Zhongying College of Pharmacy Jilin University Changchun 130021 P. R. China changchun center of mass spectrometry Changehun Institute of Applied ChemistryChinese Academy of Sciences Changchun 130022 P. R. China

Ultra performance liquid chromatographic-electrospray ionization-mass spectrometry（UPLC-ESI-MS） was used to investigate the potential interaction between selected ingredients of Aconitum and fritillary. The efflux ratios of 14-benzoylmesaconine（BM）, 14-benzoylaconine（BC）, 14-benzoylhypaconine（BH）, mesaconitine（MA）, aco- nitine（AC） and hypaconitine（HA） was 11.16, 12.53, 11.69, 12.8, 11.03 and 6.15, respectively, and the secretion of them was inhibited by Veraparnil, which means they are the substrates of permeability-glycoprotein（P-gp）. The transport of Aconitum alkaloids extract through a Caco-2 cell monolayer was determined in the absence and presence of fritillary extract. And the fritillary extract increased the absorption of Aconitum alkaloids. Peimine（PE） and peimi- nine（PEN） in fritillary increased the absorption of pure Aconitum alkaloids. The transport of digoxin was respectively enhanced by PE and PEN, which means they are the inhibitors of P-gp. PEN showed more effective inhibition than PE at the same concentration. The in vitro data suggest that the compounds such as fritillary present in alkaloids were able to inhibit the P-gp activity and lead modifying the transport of alkaloids.

关键词： Aconitum alkaloid Fritillary Caco-2 cell Permeability-glycoprotein(P-gp) Ultra performance liquidchromatographic-electrospray ionization-mass spectrometry(UPLC-ESI-MS)

Targeting UBE2C for degradation by bioPROTACs based on bacterial E3 ligase

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Chinese chemical Letters 2023年第4期34卷 211-215页

作者： Jinpeng Wang Min Zhang Susheng Liu Zhipeng He Rui Wang Minchan Liang Yuhao An Chenran Jiang Chunli Song Zigong Ning Feng Yin Hao Huang Zigang Li Yuxin Ye State Key laboratory of chemical Oncogenomics School of Chemical Biology and BiotechnologyPeking University Shenzhen Graduate SchoolShenzhen 518055China Pingshan Translational Medicine center Shenzhen Bay LaboratoryShenzhen 518055China School of Civil and Environmental Engineering Harbin Institute of TechnologyShenzhen 518055China

UBE2C(Ubiquitin conjugating enzyme E2 C), a key regulator of cell cycle progression, is a promising target for discovery of antitumor agents. However, it is challenging to develop inhibitors of UBE2C owing to its lack of “druggable” pockets. Bio PROTACs(biological proteolysis targeting chimeras) are a kind of protein-based degraders by fusing an adaptor to a subunit of E3 ligase for ubiquitination and subsequent proteasome-dependent degradation of target protein. We report herein the design and biological evaluation of a UBE2C-targeting bio PROTAC based on the NEL(novel E3 ligase) domain of bacterial E3 ligase Ipa H9.8 and the UBE2C-binding WHB(winged-helix B) domain of APC_(2)(anaphase promoting complex subunit 2). The in vitro ubiquitination test and mass spectrometry analysis showed that the bio PROTAC could transfer ubiquitin to surface exposed lysines on UBE2C and catalyzed the formation of polyubiquitin chains. In addition, the transient co-expression experiment showed that the bio PROTAC could promote proteasomal degradation of heterologous UBE2C and rescue its downstream substrates in mammalian cells.

关键词： UBE2C IpaH9.8 BioPROTAC Ubiquitination Degradation Linker optimization

Celastrol promotes apoptosis of breast cancer MDA-MB-231 cells by targeting HSDL2

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Acupuncture and Herbal Medicine 2024年第1期4卷 92-101页

作者： Li Liu Yanqing Liu Shujie Zhang Junzhe Zhang Yuqing Meng Dandan Liu Liwei Gu Ying Zhang Liting Xu Ziyue Zhang Minghong Zhao Yinkwan Wong Qixin Wang Yongping Zhu Jigang Wang College of Pharmacy Gannan Medical UniversityGanzhouChina State Key laboratory for Quality Ensurance and Sustainable Use of Dao-di Herbs Artemisinin Research Centerand Institute of Chinese Materia MedicaChina Academy of Chinese Medical SciencesBeijingChina Department of Pharmacological Sciences Yong Loo Lin School of MedicineNational University of SingaporeSingaporeSingapore

Objective:Celastrol is a pentacyclic triterpenoid extracted from the traditional Chinese medicinal herb,Tripterygium *** study aims to provide a scientific basis for the rational development and use of celastrol in breast ***:A quantitative chemical biology approach was used to investigate the protein targets and molecular mechanisms of celastrol in breast cancer ***:Low-concentration celastrol exerted an anti-tumor effect by directly binding to hydroxysteroid dehydrogenase-like 2(HSDL2)and inhibiting its ***,the expression of the pro-apoptotic protein,Bcl-2-associated X(BaX),increased,the level of the anti-apoptotic protein,B-cell lymphoma-2(Bcl-2),decreased,and the rate of apoptosis *** the transfection of cells with si-HSDL2,the apoptosis rate was similar to that observed after the administration of ***,apoptosis was reversed by the overexpression of ***,our mass spectrometry(MS)data indicated a relationship between HSDL2 and the mitogen-activated protein kinase(MAPK)signaling *** also found that the expression of HSDL2 was directly related to the degree of extracellular signal-regulated kinase(ERK)***:Celastrol may promote apoptosis by suppressing the HSDL2/MAPK/ERK signaling pathway.

关键词： Activity-based protein profiling Apoptosis Celastrol HSDL2

Qualitative and Semi-quantitative Analysis of Quaternary Alkaloids in Coptis-scute Herb Couple by Electrospray mass spectrometry

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chemical Research in Chinese Universities 2008年第2期24卷 162-166页

作者： LI Wei SONG Feng-rui LIU Zhi-qiang LIU Shu-ying changchun Institute of Applied Chemistry Chinese Academy of Sciences Changchun Center of Mass Spectrometry Changchun 130022 P. R. China Graduate School of the Chinese Academy of Sciences Beijing 100039 R R. China

A practical solution of qualitatively analyzing quaternary alkaloids in coptis-scute herb couple by electrospray ionization mass spectrometry（ES1-MS） was developed. Without the complicated pretreatment of sample, thc active ingredients including berberine, palmatine, coptisine, jatrorrhizine, epiberberine, and columbamine were identified and some relative content changing rules of alkaloids in coptis-scute couple were summarized in this article. The overall profiles of the complex extracts were obtained. After adding an internal standard（rutaecarpine）, semi-quantitative analysis was performed and the result indicates that the actual content of alkaloids was decreased by increasing the amount of scute. Based on the data obtained by high-performance capillary electrophoresis（HPCE）, the feasibility of semi-quantitative analysis by ES1-MS was further proved.

关键词： ESI-MS Coptis Scute Quaternary alkaloids

Efficient degradation of atrazine through in-situ anchoring NiCo_(2)O_(4) nanosheets on biochar to activate sulfite under neutral condition

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Journal of Environmental Sciences 2023年第4期126卷 81-94页

作者： Lizhen Feng Yijin Yuan Xianqin He Mengsi Wu Lizhi Zhang Jingming Gong Key laboratory of Pesticide&chemical biology of Ministry of Education Institute of Environmental&Applied ChemistryInternational Joint Research Center for Intelligent Biosensing Technology and HealthCollege of ChemistryCentral China Normal UniversityWuhan 430079China

Sulfite (S(IV)) is a promising substitute for sulfate radical-based advanced oxidation ***,a composite of in-situ anchoring Ni Co_(2)O_(4)nanosheets on biochar (BC) was firstly employed as a heterogeneous activator for sulfite (Ni Co_(2)O_(4)@BC-sulfite) to degrade atrazine (ATZ) in the neutral *** synergistic coupling of BC and Ni Co_(2)O_(4)endows the resulting composite excellent catalytic activity.82% of the degradation ratio of ATZ (1 mg/L) could be achieved within 10 min at initial concentrations of 0.6 g/L Ni Co_(2)O_(4)@BC,3.0 mmol/L sulfite in neutral *** further supplementing sulfite into the system at 20 min (considering the depletion of sulfite),outstanding degradation efficiency (100%) were achieved in the next 10 min without any other energy input by the Ni Co_(2)O_(4)@BC-sulfite *** features of the prepared catalysts and the effects of some key parameters on ATZ degradation were systematically examined.A strong inner-sphere complexation (≡Co_(2)+/Ni^(2+)-SO_(3)^(2-)) was explored between sulfite and the metal sites on the Ni Co_(2)O_(4)@BC *** redox cycle of the surface metal efficiently mediated sulfite activation and triggered the series radical chain *** generated radicals,in particular the surface-bound radicals were involved in ATZ *** performance liquid chromatography-tandem mass spectrometry (LC-MS) technique was used to detect the degradation *** functional theory (DFT) calculations were performed to illustrate the possible degradation pathways of ***,an underlying mechanism for ATZ removal was *** present study offered a low-cost and sustainable catalyst for sulfite activation to remove ATZ in an environmentally friendly manner from wastewater.

关键词： NiCo_(2)O_(4) Biochar Sulfite activation Atrazine Surface radicals Neutral condition

Investigation of Aconitine-type Alkaloids from Processed Tuber of Aconitum carmiechaeli by HPLC-ESI-MS/MS^n

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chemical Research in Chinese Universities 2007年第5期23卷 625-627页

作者： YUE Hao PI Zi-feng ZHAO Yu-feng SONG Feng-rui LIU Zhi-qiang LIU Shu-ying changchun center of mass spectrometry Changchun Institute of Applied Chemistry Chinese Academy of Sciences Changchun 130022 P. R. China Graduate School of the Chinese Academy of Sciences Beijing 100039 P. R. China

Introduction Aconitine-type alkaloids isolated from the roots of Aconitum carmiechaeli show a potential toxicity and a broad spectrum of bioactivity[1-4].On the basis of the C8-substituent of C19-diterpenoid skeleton,aconitine-type alkaloids can be divided into diester-diterpenoid alkaloids（DDAs）,monoester-diterpenoid alkaloids（MDAs）,and lipo-alkaloids（Fig.1）.

关键词： Aconitine-type alkaloids HPLC-ESI-MS/MS^n Aconitum carmiechaeli

Enhanced mixing state of black carbon with nitrate in single particles during haze periods in Zhengzhou, China

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Journal of Environmental Sciences 2022年第1期34卷 185-196页

作者： Qianni Zhou Chunlei Cheng Suxia Yang Minghao Yuan Jingjing Meng Haifeng Gong Qien Zhong Yao Zhang Yutong Xie Zhen Zhou Mei Li Institute of mass spectrometry and Atmospheric Environment Guangdong Provincial Engineering Research Center for On-line Source Apportionment System of Air PollutionJinan UniversityGuangzhou 510632China Guangdong-Hongkong-Macao Joint laboratory of Collaborative Innovation for Environmental Quality Guangzhou 510632China School of Environment and Planning Liaocheng UniversityLiaocheng 252000China Institute for Environment and Climate Research Jinan UniversityGuangzhou 510632China Zhengzhou Environmental Protection Monitoring center Station Zhengzhou 450007China

Black carbon(BC)plays an important role in air quality and climate change,which is closely associated with its mixing state and chemical *** this work the mixing state of BC-containing single particles was investigated to explore the evolution process of ambient BC particles using a single particle aerosol mass spectrometer(SPAMS)in March 2018 in Zhengzhou,*** BC-containing particles accounted for 61.4%of total detected ambient single particles and were classified into five types including BC-nitrate(BC-N,52.3%)as the most abundant species,followed by BC-nitrate-sulfate(BC-NS,22.4%),BCOC(16.8%),BC-fresh(BC-F,4.5%)and BC-sulfate particles(BC-S,4.0%).With enhancement of the ambient nitrate concentration,the relative peak area(RPA)of nitrate in BC-N and BC–NS particles both increased,yet only the number fraction(N_(f))of BC–N particles increased while the N_(f) of BC-NS particles decreased,suggesting that the enhanced mixing state of BC with nitrate was mainly due to the increase in the ambient nitrate mass *** addition,the Nfof BC-N decreased from 65.3%to 28.4%as the absorbing Angstrom exponents(AAE)of e BC increased from 0.75 to 1.45,which indicated the reduction of light absorption ability of aged BC particles with the enhanced formation of BC-N *** results of this work indicated a change in the mixing state of BC particles due to the dominance of nitrate in PM_(2.5),which also influenced the optical properties of aged BC particles.

关键词： Single particle Black carbon Mixing state Nitrate Aging process

Adolescent alcohol exposure changes RNA modifications in adult brain by mass spectrometry-based comprehensive profiling analysis

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Chinese chemical Letters 2024年第1期35卷 461-464页

作者： Ying-Ying Chen Zhu Gui Di Hu Meng-Yuan Chen Jin-Gang He Si-Yu Yu Yu-Qi Feng Jie Wang Bi-Feng Yuan College of Chemistry and Molecular Sciences Research Center of Public HealthRenmin Hospital of Wuhan UniversityWuhan UniversityWuhan 430072China Department of Radiation and Medical Oncology Zhongnan Hospital of Wuhan UniversitySchool of Public HealthWuhan UniversityWuhan 430071China Cancer Precision Diagnosis and Treatment and Translational Medicine Hubei Engineering Research center Zhongnan Hospital of Wuhan UniversityWuhan Research Center for Infectious Diseases and CancerChinese Academy of Medical SciencesWuhan 430071China Key laboratory of Magnetic Resonance in Biological Systems State Key Laboratory of Magnetic Resonance and Atomic and Molecular PhysicsNational Center for Magnetic Resonance in WuhanWuhan Institute of Physics and MathematicsInnovation Academy for Precision Measurement Science and TechnologyChinese Academy of Sciences-Wuhan National Laboratory for OptoelectronicsWuhan 430071China Phase I Clinical Trial laboratory Zhongnan Hospital of Wuhan UniversityWuhan 430071China Institute of Neuroscience and Brain Diseases Xiangyang Central HospitalAffiliated Hospital of Hubei University of Arts and ScienceXiangyang 441000China University of Chinese Academy of Sciences Beijing 101408China

Alcohol consumption is one of the leading causes of death *** is a critical period of structural and functional maturation of the *** alcohol use can alter epigenetic ***,little is known on the long-term effects of alcohol consumption during adolescence on RNA epigenetic modifications in ***,we systematically explored the long-term effects of alcohol exposure during adolescence on small RNA modifications in adult rat brain tissues by comprehensive liquid chromatography-electrospray ionization-tandem mass spectrometry(LC-ESI-MS/MS)*** totally detected 26 modifications in small RNA of brain ***,we observed most of these modifications were decreased in brain *** results suggest that alcohol exposure during adolescence may impose a long-lasting impact on RNA modifications in brain *** is the first report that alcohol use during adolescence can alter RNA modifications in adult ***,this study suggests a long-term adverse effects of alcohol consumption on brain from RNA epigenetics angle by comprehensive mass spectrometry analysis.

关键词： mass spectrometry RNA modification Adolescence Alcohol exposure Brain

Quality Evaluation of Fermented Mulberry Wine

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Agricultural Biotechnology 2024年第3期13卷 48-54页

作者： Lei ZHANG Jiarui HUANG Yu QI Yimin WANG Shuzhen WANG Feng HE Hubei Key laboratory of Economic Forest Germplasm Improvement and Resources Comprehensive Utilization Hubei Collaborative Innovation Center for the Characteristic Resources Exploitation of Dabie MountainsHuanggang Normal UniversityHuanggang 438000China LiShizhen Culture and Industry Research center of Traditional Chinese Medicine Huanggang Normal University Huanggang 438000China

[Objectives]This study to conducted to clarify various nutritional components and the composition and contents of aromatic substances in mulberry wine prepared by fermentation,and promote the quality improvement and product development of mulberry wine.[Methods]Mulberry wine was prepared with mulberry Shengguo 1 as the material using Saccharomyces cerevisiae,and its contents of total sugars,total phenols,total acids,resveratrol,protein,dry extract,ethanol content,Fe,methanol,sulfur dioxide,volatile acids,total flavonoids and proanthocyanidins were *** substances were extracted by n-hexane,and their components and relative contents were determined by gas chromatography-mass spectrometry(GC-MS).[Results]The physical and chemical indexes of the mulberry wine prepared by fermentation were in accordance with the national standards,and it was rich in resveratrol(10.5±0.6 mg/L),protein(381±11 mg/L),total flavonoids(406±18 mg/L)and proanthocyanidins(855±22 mg/L),which were 8.95,19.49,3.76 and 1.63 times higher than those of grape wine,*** aromatic substances were mainly composed of ethyl formate(9.9%),ethyl acetate(7.6%),acetal(6.2%),propanol(5.7%),isobutanol(5.6%)and isoamyl acetate(5.3%).[Conclusions]The results of this study demonstrated that mulberry wine was rich in active substances,which suggested that mulberry wine has great potential in the fruit wine market.

关键词： Mulberry wine Resveratrol Proanthocyanidin Total flavonoid Aromatic substance

Identification,structure elucidation and origin of a common pyridinium-thiocyanate intermediate in electrospray mass spectrometry among the benziamidazole-class proton pump inhibitors

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Journal of Pharmaceutical Analysis 2023年第6期13卷 683-688页

作者： Dong Sun Chunyu Wang Yanxia Fan Jingkai Gu Research center for Drug Metabolism School of Life SciencesJilin UniversityChangchun130012China State Key laboratory of Supramolecular Structure and Materials Jilin UniversityChangchun130012China Beijing Institute of Drug Metabolism Beijing102209China Jilin Institute for Drug Control Changchun130033China

During the analysis of benziamidazole-class irreversible proton pump inhibitors,an unusual mass spectral response with the mass-to-charge ratio at[Mt10]t intrigued us,as it couldn't be assigned to any literature known relevant structure,intermediate or adduct ***,this mysterious mass pattern of[Mt10]t has been gradually observed by series of marketed proton pump inhibitors,***,pantoprazole,lansoprazole and *** the previous attempts to isolate the corresponding component were *** investigation of present work addresses this kind of signal to a pyridinium thiocyanate mass spectral intermediate(10),which is the common fragment ion of series of labile *** origin of such aggregates can be traced to the reactive intermediates formed by acid-promoted *** reactive intermediates tend to react with each other and give raise series of complicated aggregates systematically in a water/acetonitrile solution by electrospray *** structure of the corresponding pyridinium thiocyanate species of omeprazole(10a)has been eventually characterized with the help of synthetic specimen(10a′).Our structural proposal as well as its origin was supported by in situ nuclear magnetic resonance,chemical derivatization and colorimetric experiments.

关键词： Proton pump inhibitor mass spectrometry Electrospray ionization Pseudo-molecular ion Pyridinium thiocyanate