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Electronic states of IC_(60)BA and PC_(71)BM

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Chinese Physics Letters 2013年第11期30卷 153-156页

作者： SHENG Chun-Qi wang Peng SHEN Ying LI Wen-jie ZHANG Wen-Hua zhu jun-Fa LAI Guo-Qiao LI Hong-Nian Department of Physics Zhejiang UniversityHangzhou 310027 National Synchrotron Radiation laboratory University of Science and Technology of ChinaHefei 230029 key laboratory of Organosilicon chemistry and Material Technology of Ministry of Education Hangzhou Normal UniversityHangzhou 310012

We investigate the electronic states of IC_(60)BA and PC_(71)BM using first-principles calculations and photoelectron spectroscopy(PES)*** energy level structures for all possible isomers are reported and compared with those of C_(60),C_(70) and *** attachment of the side chains can raise the LUMO energies and decrease the HOMO-LUMO gaps,and thus helps to increase the power-conversion efficiency of bulk heterojunction solar *** the PES studies,we prepared IC_(60)BA and PC_(71)BM films on Si:H(111)substrates to construct adsorbate/substrate interfaces describable with the integer charge-transfer(ICT)*** measurements then revealed that one of the most important material properties for an electron acceptor,the energy of the negative integer charge-transfer state(E_(ICT)-),is 4.31 eV below the vacuum level for PC_(71)*** E_(ICT)- of IC_(60)BA is smaller than 4.14 eV.

关键词： integer isomers chains

Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme

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Signal Transduction and Targeted Therapy 2019年第1期4卷 530-537页

作者： Qiu Sun Yuehong Hu Yijun Gu Jiangkun Huang jun He Lan Luo Yi Yang Shuo Yin Chao Dou Tianqi wang Xianghui Fu Ling He Shiqian Qi Xiaofeng zhu Shengyong Yang Xiawei wei wei Cheng Division of Respiratory and Critical Care Medicine Center of Infectious DiseasesNational Clinical Research Center for Geriatrics and State Key Laboratory of BiotherapyWest China Hospital of Sichuan University and Collaborative Innovation Center of BiotherapyChengdu 610041China Shanghai Synchrotron Radiation Facility Zhangjiang LabZhangheng Road 239Pudong DistrictShanghai 201203China Department of Medicinal chemistry Key Laboratory of Drug-Targeting and Drug Delivery System of the Education MinistrySichuan Engineering Laboratory for Plant-Sourced Drug and Sichuan Research Center for Drug Precision Industrial TechnologyWest China School of PharmacySichuan UniversityChengdu 610041China West China School of Public Health Sichuan UniversityChengdu 610041China

S-adenosyl-1-methionine(SAM)-dependent enzymes regulate various disease-related behaviors in all ***,the leporin biosynthesis enzyme LepI,a SAM-dependent enzyme,was reported to catalyze pericyclic reactions in leporin biosynthesis;however,the mechanisms underlying LepI activation and catalysis remain *** study aimed to investigate the molecular mechanisms of ***,we reported crystal structures of LepI bound to SAM/5′-deoxy-5′-(methylthio)adenosine(MTA),S-adenosyl-homocysteine(SAH),and SAM/substrate *** and biochemical analysis revealed that MTA or SAH inhibited the enzyme activities,whereas SAM activated the *** analysis of the substrate-bound structure of LepI demonstrated that this enzymatic retro-Claisen rearrangement was primarily driven by three critical polar residues His133,Arg197,Arg295 around the active site and assisted by SAM with unclear *** present studies indicate that the unique mechanisms underlying regulatory and catalysis of the unusual SAM-dependent enzyme LepI,not only strengthening current understanding of the fundamentally biochemical catalysis,but also providing novel insights into the design of SAM-dependent enzyme-specific small molecules.

关键词： mechanism. catalysis unusual

Characterization of focusing performance of spiral zone plates with fractal structure

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Chinese Physics B 2019年第6期28卷 184-188页

作者： Hua-Ping Zang Cheng-Long Zheng Zi-Wen Ji Quan-Ping Fan Lai wei Yong-jie Li Kai-jun Mu Shu Chen Chuan-Ke wang Xiao-Li zhu Chang-Qing Xie Lei-Feng Cao Er-jun Liang School of Physics science and Engineering Zhengzhou UniversityZhengzhou 450001China National key laboratory for Laser Fusion Research Center of Laser FusionChina Academy of Engineering PhysicsMianyang 621900China Information and Telecommunication Company of state Grid Henan Electric Power Corporation Zhengzhou 450001China key laboratory of Nano-Fabrication and Novel Devices Integrated Technology Institute of MicroelectronicsChinese Academy of SciencesBeijing 100029China

We propose an efficient method of generating a vortex beam with multi-foci by using a fractal spiral zone plate(FSZP), which is designed by combining fractal structure with a spiral zone plate(SZP) in the squared radial *** theoretical analysis reveals that the number of foci that embed vortices is significantly increased as compared with that obtained by using a conventional SZP. Furthermore, the influence of topological charge on the intensity distribution in focal plane is also discussed in detail. For experimental investigation, an FSZP with topological charge p = 1 and 6.4 mm diameter is fabricated by using a photo-etching technique. The calibration indicates that the focusing performances of such a kind of zone plane(ZP) accord well with simulations, thereby providing its potential applications in multi-dimensional optical manipulation and optical imaging technology.

关键词： optical vortices spiral zone plate diffractive optical elements

Allelochemicals of Panax notoginseng and their effects on various plants and rhizosphere microorganisms

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Plant Diversity 2020年第5期42卷 323-333页

作者： Yi-jun Qiao Cheng-Zhen Gu Hong-Tao zhu Dong wang Meng-Yue Zhang Yi-Xuan Zhang Chong-Ren Yang Ying-jun Zhang state key laboratory of Phytochemistry and Plant Resources in West China Kunming Institute of BotanyChinese Academy of SciencesKunming650204China University of Chinese Academy of sciences Beijing100049China Fujian Agriculture and Forestry University Fuzhou350002China School of life science and Biopharmaceutics Shenyang Pharmaceutical UniversityShenyang110016China Yunnan key laboratory of Natural Medicinal chemistry Kunming Institute of BotanyChinese Academy of SciencesKunming650201China

Panax notoginseng(Araliaceae)is an important ginseng herb with various health benefits and a history of cultivation in southwestern China over 400 *** recent years?.notoginseng has faced serious continuous-cropping obstacles due to its large-scale *** this study,we aim to explore the allelochemicals of *** and their interactions with various plants and rhizosphere *** chemical constituents of the soil cultivated with 3-year-old *** were studied by column chromatography,spectroscopic and GC-MS *** identified 13 volatile components and isolated six triterpenes(1-4,6-7)and one anthraquinone(5).Compounds 1-7 were tested for their effects on seed germination and root elongation in ***,corn,wheat,turnip,water spinach and Arabidopsis *** also examined the effect of compounds 1-7on the growth of ten rhizosphere microorganisms of *** a concentration of 1.0 ug mL',compounds 3 and 5-7 caused the death of *** root cells and compounds 2,6 and 7 induced the death of root cells of *** 1-5and 7 inhibited elongation of *** root tip cells at a concentration of 10.0μg mL^-***,at a concentration of 0.1 mg mL^-1,compounds 3,4,6 and 7 inhibited the growth of probiotics and promoted the growth of pathogens of *** results suggest that these isolated ursane-type triterpenoid acids and anthraquinone are potential allelochemicals that contribute to continuous-cropping obstacles of ***.

关键词： Panax notoginseng Continuous cropping obstacle Allelochemical Triterpenes Anthraquinone

CD147-spike protein is a novel route for SARS-CoV-2 infection to host cells

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Signal Transduction and Targeted Therapy 2021年第1期6卷 95-104页

作者： Ke wang wei Chen Zheng Zhang Yongqiang Deng Jian-Qi Lian Peng Du Ding wei Yang Zhang Xiu-Xuan Sun Li Gong Xu Yang Lei He Lei Zhang Zhiwei Yang jie-jie Geng Ruo Chen Hai Zhang Bin wang Yu-Meng zhu Gang Nan Jian-Li Jiang Ling Li Jiao Wu Peng Lin Wan Huang Liangzhi Xie Zhao-Hui Zheng Kui Zhang Jin-Lin Miao Hong-Yong Cui Min Huang jun Zhang Ling Fu Xiang-Min Yang Zhongpeng Zhao Shihui Sun Hongjing Gu Zhe wang Chun-Fu wang Yacheng Lu Ying-Ying Liu Qing-Yi wang Huijie Bian Ping zhuZhi-Nan Chen National Translational science Center for Molecular Medicine&Department of Cell Biology Fourth Military Medical UniversityXi’an 710032China Beijing Institute of Biotechnology Beijing 100071China state key laboratory of Pathogen and Biosecurity Beijing Institute of Microbiology and EpidemiologyBeijing 100071China Tangdu Hospital Fourth Military Medical UniversityXi’an 710038China MOE key laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter Xi’an Jiaotong UniversityXi’an 710049China Sino Biological Inc. Beijing 100176China Department of Clinical Immunology Xijing HospitalFourth Military Medical UniversityXi’an 710032China School of Basic Medicine Fourth Military Medical UniversityXi’an 710032China

In face of the everlasting battle toward COVID-19 and the rapid evolution of SARS-CoV-2,no specific and effective drugs for treating this disease have been reported until ***-converting enzyme 2(ACE2),a receptor of SARS-CoV-2,mediates the virus infection by binding to spike *** ACE2 is expressed in the lung,kidney,and intestine,its expressing levels are rather low,especially in the *** the great infectivity of COVID-19,we speculate that SARS-CoV-2 may depend on other routes to facilitate its ***,we first discover an interaction between host cell receptor CD147 and SARS-CoV-2 spike *** loss of CD147 or blocking CD147 in Vero E6 and BEAS-2B cell lines by anti-CD147 antibody,Meplazumab,inhibits SARSCoV-2 *** of human CD147 allows virus entry into non-susceptible BHK-21 cells,which can be neutralized by CD147 extracellular *** loads are detectable in the lungs of human CD147(hCD147)mice infected with SARS-CoV-2,but not in those of virus-infected wild type ***,virions are observed in lymphocytes of lung tissue from a COVID-19 *** T cells with a property of ACE2 natural deficiency can be infected with SARS-CoV-2 pseudovirus in a dosedependent manner,which is specifically inhibited by ***,CD147 mediates virus entering host cells by ***,our study reveals a novel virus entry route,CD147-spike protein,which provides an important target for developing specific and effective drug against COVID-19.

关键词： ACE2 CD147 intestine

Enhancement of electron–ion recombination rates at low energy range in the heavy ion storage ring CSRm

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Chinese Physics B 2020年第3期29卷 169-175页

作者： Nadir Khan Zhong-Kui Huang wei-Qiang Wen Shu-Xing wang Han-Bing wang Wan-Lu Ma Xiao-Long zhu Dong-Mei Zhao Li-jun Mao jie Li Xiao-Ming Ma Mei-Tang Tang Da-Yu Yin wei-Qing Yang Jian-Cheng Yang You-Jin Yuan Lin-Fan zhu Xin-Wen Ma Institute of Modern Physics Chinese Academy of SciencesLanzhou 730000China University of Chinese Academy of sciences Beijing 100049China Hefei National laboratory for Physical sciences at Micro-scale Department of Modern PhysicsUniversity of Science and Technology of ChinaHefei 230026China

Recombination of Ar^(14+), Ar^(15+), Ca^(16+), and Ni^(19+) ions with electrons has been investigated at low energy range based on the merged-beam method at the main cooler storage ring CSRm in the Institute of Modern Physics, Lanzhou,China. For each ion, the absolute recombination rate coefficients have been measured with electron–ion collision energies from 0 meV to 1000 meV which include the radiative recombination(RR) and also dielectronic recombination(DR)processes. In order to interpret the measured results, RR cross sections were obtained from a modified version of the semiclassical Bethe and Salpeter formula for hydrogenic ions. DR cross sections were calculated by a relativistic configuration interaction method using the flexible atomic code(FAC) and AUTOSTRUCTURE code in this energy range. The calculated RR + DR rate coefficients show a good agreement with the measured value at the collision energy above 100 ***, large discrepancies have been found at low energy range especially below 10 meV, and the experimental results show a strong enhancement relative to the theoretical RR rate coefficients. For the electron–ion collision energy below 1 meV, it was found that the experimentally observed recombination rates are higher than the theoretically predicted and fitted rates by a factor of 1.5 to 3.9. The strong dependence of RR rate coefficient enhancement on the charge state of the ions has been found with the scaling rule of q^(3.0), reproducing the low-energy recombination enhancement effects found in other previous experiments.

关键词： storage ring electron cooler highly charged ions radiative recombination enhancement

Aromaticity Concerto in Polycyclic Conjugated Hydrocarbons:Fusion Pattern on Combined Aromaticity Strategy Leads to Distinctive Excited state Photophysics of Dinaphthopentalenes

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CCS chemistry 2023年第10期5卷 2264-2276页

作者： Long wang Lu Lin Teng-Shuo Zhang Shaoting Guo Zuyuan Liu Mengfan Zhang Senhao wang Ganglong Cui wei-Hai Fang jun zhu Hongbing Fu Jiannian Yao key laboratory of Interface science and Engineering in Advanced Materials Ministry of EducationCollege of ChemistryTaiyuan University of TechnologyTaiyuan 030024 state key laboratory of Physical chemistry of Solid Surfaces Fujian Provincial Key Laboratory of Theoretical and Computational ChemistryDepartment of ChemistryCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005 state key laboratory Breeding Base of Green chemistry-Synthesis Technology College of Chemical EngineeringZhejiang University of TechnologyHangzhou 310014 key laboratory of Theoretical and Computational Photochemistry Ministry of EducationCollege of ChemistryBeijing Normal UniversityBeijing 100875 Beijing key laboratory for Optical Materials and Photonic Devices Department of ChemistryCapital Normal UniversityBeijing 100048 Beijing National laboratory for Molecules science Key Laboratory of PhotochemistryInstitute of ChemistryChinese Academy of SciencesBeijing 100190

Understanding the structure-property relationships in polycyclic conjugated hydrocarbons(PCHs)is crucial in controlling their electronic properties and developing new optically functional *** is a fundamentally important and intriguing property of numerous organic chemical structures and has stimulated a myriad of experimental and theoretical *** aromaticity rules for the rational design of optoelectronic materials with the desired photophysical characteristics is a challenging yet fascinating *** we present an in-depth computational and spectroscopic study on the structure-property relationships of dinaphthopentalenes(DNPs).Results highlight that the different fusion patterns between 4nπand 4n+2πunits endow these PCHs with the tunable aromaticity in the ground state/excited state,which leads to the diverse electronic structures and consequently the distinctive excited state ***,we propose a combined aromaticity design strategy for rationally modulating and tailoring electronic and optical properties of PCH *** outcomes not only present a full picture of the excited state dynamics of the DNP system and afford a new class of efficient singlet fission-active materials but also provide some basic guidelines for exploiting aromaticity rules to design and develop new optical function materials.

关键词： polycyclic conjugated hydrocarbon aromaticity fusion pattern excited state photophysics singlet fission combined aromaticity design strategy optical function materials

Identification of antimalarial targets of chloroquine by a combined deconvolution strategy of ABPP and MS-CETSA

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Military Medical Research 2023年第1期10卷 64-77页

作者： Peng Gao Yan-Qing Liu wei Xiao Fei Xia Jia-Yun Chen Li-wei Gu Fan Yang Liu-Hai Zheng jun-Zhe Zhang Qian Zhang Zhi-jie Li Yu-Qing Meng Yong-Ping zhu Huan Tang Qiao-Li Shi Qiu-Yan Guo Ying Zhang Cheng-Chao Xu Ling-Yun Dai Ji-Gang wang Artemisinin Research Center Institute of Chinese Materia MedicaChina Academy of Chinese Medical SciencesBeijing 100700China Department of Traditional Chinese Medicine Southern Medical UniversityGuangzhou 510515China Department of Geriatrics the Second Clinical Medical College of Jinan Universitythe First Affiliated Hospital of Southern University of Science and TechnologyShenzhen People’s HospitalShenzhen 518020GuangdongChina Institute of Molecular and Cell Biology Agency for ScienceTechnology and Research(A*STAR)Singapore 138673Singapore Department of Biological sciences National University of SingaporeSinga‑pore 117543Singapore

Background: Malaria is a devastating infectious disease that disproportionally threatens hundreds of millions of people in developing countries. In the history of anti-malaria campaign, chloroquine(CQ) has played an indispensable role, however, its mechanism of action(MoA) is not fully ***: We used the principle of photo-affinity labeling and click chemistry-based functionalization in the design of a CQ probe and developed a combined deconvolution strategy of activity-based protein profiling(ABPP) and mass spectrometry-coupled cellular thermal shift assay(MS-CETSA) that identified the protein targets of CQ in an unbiased manner in this study. The interactions between CQ and these identified potential protein hits were confirmed by biophysical and enzymatic ***: We developed a novel clickable, photo-affinity chloroquine analog probe(CQP) which retains the antimalarial activity in the nanomole range, and identified a total of 40 proteins that specifically interacted and photocrosslinked with CQP which was inhibited in the presence of excess CQ. Using MS-CETSA, we identified 83 candidate interacting proteins out of a total of 3375 measured parasite proteins. At the same time, we identified 8 proteins as the most potential hits which were commonly identified by both ***: We found that CQ could disrupt glycolysis and energy metabolism of malarial parasites through direct binding with some of the key enzymes, a new mechanism that is different from its well-known inhibitory effect of hemozoin formation. This is the first report of identifying CQ antimalarial targets by a parallel usage of labeled(ABPP)and label-free(MS-CETSA) methods.

关键词： Chloroquine Antimalaria Activity-based protein profiling(ABPP) Cellular thermal shift assay(CETSA) Quantitative proteomics

Integrative multi-omics and drug-response characterization of patient-derived prostate cancer primary cells

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Signal Transduction and Targeted Therapy 2023年第6期8卷 3013-3028页

作者： Ziruoyu wang Yanan Li Wensi Zhao Shuai Jiang Yuqi Huang jun Hou Xuelu Zhang Zhaoyu Zhai Chen Yang Jiaqi wang Jiying zhu Jianbo Pan wei Jiang Zengxia Li Mingliang Ye Minjia Tan Haowen Jiang Yongjun Dang key laboratory of Metabolism and Molecular Medicine The Ministry of EducationDepartment of Biochemistry and Molecular BiologySchool of Basic Medical SciencesShanghai Medical CollegeFudan University200032ShanghaiChina CAS key Lab of Separation sciences for analytical chemistry National Chromatographic Research and Analysis CenterDalian Institute of Chemical PhysicsChinese Academy of Sciences116023DalianChina The Chemical Proteomics Center and state key laboratory of Drug Research Shanghai Institute of Materia MedicaChinese Academy of Sciences201203ShanghaiChina University of Chinese Academy of sciences 100049BeijingChina Department of Urology Zhongshan HospitalFudan University200032ShanghaiChina Department of Urology Zhongshan Hospital Wusong BranchFudan University200032ShanghaiChina Center for Novel Target and Therapeutic Intervention Chongqing Medical University400016ChongqingChina Department of Urology Huashan HospitalFudan University200040ShanghaiChina

Prostate cancer(PCa)is the second most prevalent malignancy in males across the world.A greater knowledge of the relationship between protein abundance and drug responses would benefit precision treatment for ***,we establish 35 Chinese PCa primary cell models to capture specific characteristics among PCa patients,including gene mutations,mRNA/protein/surface protein distributions,and pharmaceutical *** multi-omics analyses identify Anterior Gradient 2(AGR2)as a pre-operative prognostic biomarker in *** the drug library screening,we describe crizotinib as a selective compound for malignant PCa primary *** further perform the pharmacoproteome analysis and identify 14,372 significant protein-drug ***,the diminished AGR2 enhances the inhibition activity of crizotinib via ALK/c-MET-AKT axis activation which is validated by PC3 and xenograft *** integrated multi-omics approach yields a comprehensive understanding of PCa biomarkers and pharmacological responses,allowing for more precise diagnosis and therapies.

关键词： drug PC3 diagnosis operative