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Synthetic and Systems Biotechnology 2020年第1期5卷 19-20页

作者： Shan Wang Hai DENG Department of Chemistry University of AberdeenAberdeenScotlandAB243UEUnited Kingdom

Natural products have been an unprecedented starting point for drug and agrochemical discovery.They represent the only validated source of chemical diversity capable of delivering a sustainable pipeline for novel drug candidates.As of 1990,80%of clinically used drugs were natural products or natural product-inspired or semi-synthetic derivatives.From 1994 to 2007,almost half of the new chemical entities approved by FDA were based on natural products[1].By the end of 2013,natural products or their inspired compounds comprised about 40%of the FDA approved drugs[2].Streptomyces are by far the most prolific natural product producing organisms and as such this genus has been the research subjects for lead compound discovery for decades.

关键词： drugs starting approved

Thermal decomposition effect of MgCo_(2)O_(4)nanosheets on ammonium perchlorate-based energetic molecular perovskites

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Defence Technology（防务技术） 2023年第2期20卷 111-119页

作者： Er-hai An Xiao-xia Li hai-xia Zhao Ying-xin Tan Xiong Cao Peng deng School of Environment and Safety Engineering North University of ChinaTaiyuan030051ShanxiPeople's Republic of China School of Engineering for Safety and Emergency Management Taiyuan University of Science and TechnologyTaiyuan030024China State Key Laboratory of Explosion Science and Technology Beijing Institute of TechnologyBeijing100081People's Republic of China

Energetic molecular perovskites have attracted widespread attention in the fields of energy materials due to their high detonation performance.In this work,we reported the effect of MgCo_(2)O_(4) nanosheets on the thermal decomposition of ammonium perchlorate(NH_(4)ClO_(4),AP)-based energetic molecular perovskites(AP-based energetic molecular perovskites).The morphology and structure of the MgCo_(2)O_(4) nanosheets were characterized.And their catalytic effect on the thermal decomposition of AP-based energetic molecular perovskites(H_2pz)[NH_(4)(ClO_(4))_(3)](PAP-4),(H_2dabco)[NH_(4)(ClO_(4))_(3)](DAP-4),(H_2mpz)[NH_(4)(ClO_(4))_(3)](PAP-M_(4)),and (H_2hpz)[NH_(4)(ClO_(4))_(3)](PAP-H_(4)) was analyzed.The results showed that MgCo_(2)O_(4) nanosheets had excellent intrinsically catalytic performance towards enhancing the thermal decomposition of AP-based energetic molecular perovskites.After adding MgCo_(2)O_(4) nanosheets,the thermal decomposition peak temperatures of PAP-4,DAP-4,PAP-M_(4),and PAP-H_(4) had been reduced by35.7℃,48.4℃,37.9℃,and 43.6℃,respectively.And the activation energy(Ea)of the thermal decomposition of AP-based energetic molecular perovskites had been reduced,the Eaof PAP-H_(4) decreased by 46.4 kJ/mol at most among them.The catalytic mechanism of MgCo_(2)O_(4) nanosheets for AP-based energetic molecular perovskites is analyzed.This work provides a reference for the future application of AP-based energetic molecular perovskites.

关键词： AP-based energetic molecular perovskites MgCo_(2)O_(4)nanosheets Thermal decomposition Catalytic performance

Validamycin treatment significantly inhibits the glycometabolism and chitin synthesis in the common cutworm,Spodoptera litura

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Insect Science 2022年第3期29卷 840-854页

作者： hai-Zhong Yu Qin Zhang Zhan-Jun Lu Ming-Jie deng College of Life Sciences Gannan Normal UniversityGanzhouJiangxi ProvinceChina National Navel Orange Engineering Research Center GanzhouJiangxi ProvinceChina Analytical and Testing Center School of Pharmaceutical SciencesWenzhou Medical UniversityWenzhouZhejiang ProvinceChina

Validamycin,as a broadly applied antibiotic,has been used to control rice sheath blight disease.Furthermore,validamycin was considered as an insecticide to control agricultural pests.Insight into the mechanism of validamycin’s action on insects can provide molecular targets for the control of agricultural pests.In this study,a toxicological test analysis revealed that Spodoptera litura larval growth and development was significantly inhibited and the pupation rate was significantly reduced with the increase of the concentration of validamycin.According to the NMR-based metabolomic analysis,a total of 15 metabolites involved in glycolysis and tricarboxylic acid cycle(TCA)pathways were identified.Additionally,trehalase activities,glucose and chitin contents were significantly downregulated,but the trehalose content was upregulated after exposure to validamycin.Reverse transcription quantitative PCR analysis revealed that the expression level of genes involved in glycolysis,TCA and chitin synthesis were upregulated after treating with validamycin.Further chitin staining also confirmed that chitin content was downregulated at 12 h after validamycin treatment.Our results indicated that validamycin worked via two different molecular mechanisms,one through inhibiting glycometabolism and the other by inhibiting chitin synthesis in S.litura.The information lays a theoretical foundation for further control of S.litura.

关键词： chitin synthesis glycometabolism ^(1)H-NMR metabonomics Spodoptera litura validamycin

Histidine-rich glycoprotein (HRGP):Pleiotropic and paradoxical effects on macrophage,tumor microenvironment,angiogenesis,and other physiological and pathological processes

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Genes & Diseases 2022年第2期9卷 381-392页

作者： Yixiao Pan Lu deng hai Wang Kang He Qiang Xia Department of Liver Surgery Renji HospitalSchool of MedicineShanghai Jiao Tong UniversityShanghai 200120PR China

Histidine-rich glycoprotein(HRGP)is a relatively less known glycoprotein,but it is abundant in plasma with a multidomain structure,which allows it to interact with many ligands and regulate various biological processes.HRGP ligands includes heme,Zn^(2+),thrombospondin,plasmin/plasminogen,heparin/heparan sulfate,fibrinogen,tropomyosin,IgG,FcγR,C1q.In many conditions,the histidine-rich region of HRGP strengthens ligand binding following interaction with Zn^(2+)or exposure to low pH,such as sites of tissue injury or tumor growth.The multidomain structure and diverse ligand binding attributes of HRGP indicates that it can act as an extracellular adaptor protein,connecting with different ligands,especially on cell surfaces.Also,HRGP can selectively target IgG,which blocks the production of soluble immune complexes.The most common cell surface ligand of HRGP is heparan sulfate proteoglycan,and the interaction is also potentiated by elevated Zn^(2+)concentration and low pH.Recent reports have shown that HRGP can modulate macrophage polarization and possibly regulate other physiological processes such as angiogenesis,anti-tumor immune response,fibrinolysis and coagulation,soluble immune complex clearance and phagocytosis of apoptotic/necrosis cells.In addition,it has also been reported that HRGP has antibacterial and anti-HIV infection effects and may be used as a novel clinical biomarker accordingly.This review outlines the molecular,structural and biological properties of HRGP as well as presenting an update on the function of HRGP in various physiological processes.

关键词： Angiogenesis Histidine-rich glycoprotein Macrophage polarization Thrombospondin Tumor

In silico screening of Chinese herbal medicines with the potential to directly inhibit 2019 novel coronavirus

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Journal of Integrative Medicine 2020年第2期18卷 152-158页

作者： deng-hai Zhang Kun-lun Wu Xue Zhang Sheng-qiong deng Bin Peng Shanghai Health Commission Key Lab of Artificial Intelligence(AI)-Based Management of Inflammation and Chronic Diseases Sino-French Cooperative Central LabShanghaiPudong Gongli HospitalSecondary Military Medical UniversityShanghai 200135China Department of Traditional Chinese Medicine Shanghai Pudong Gongli HospitalSecondary Military Medical UniversityShanghai 200135China Department of Research Affair Management Shanghai Pudong Gongli HospitalSecondary Military Medical UniversityShanghai 200135China

Objective: In this study we execute a rational screen to identify Chinese medical herbs that are commonly used in treating viral respiratory infections and also contain compounds that might directly inhibit 2019 novel coronavirus(2019-nCoV), an ongoing novel coronavirus that causes pneumonia.Methods: There were two main steps in the screening process. In the first step we conducted a literature search for natural compounds that had been biologically confirmed as against sever acute respiratory syndrome coronavirus or Middle East respiratory syndrome coronavirus. Resulting compounds were cross-checked for listing in the Traditional Chinese Medicine Systems Pharmacology Database.Compounds meeting both requirements were subjected to absorption, distribution, metabolism and excretion(ADME) evaluation to verify that oral administration would be effective. Next, a docking analysis was used to test whether the compound had the potential for direct 2019-nCoV protein interaction.In the second step we searched Chinese herbal databases to identify plants containing the selected compounds. Plants containing 2 or more of the compounds identified in our screen were then checked against the catalogue for classic herbal usage. Finally, network pharmacology analysis was used to predict the general in vivo effects of each selected herb.Results: Of the natural compounds screened, 13 that exist in traditional Chinese medicines were also found to have potential anti-2019-nCoV activity. Further, 125 Chinese herbs were found to contain 2 or more of these 13 compounds. Of these 125 herbs, 26 are classically catalogued as treating viral respiratory infections. Network pharmacology analysis predicted that the general in vivo roles of these26 herbal plants were related to regulating viral infection, immune/inflammation reactions and hypoxia response.Conclusion: Chinese herbal treatments classically used for treating viral respiratory infection might contain direct anti-2019-nCoV compounds.

关键词： 2019-nCoV Wuhan coronavirus Drugs Chinese herbal Pneumonia Natural compounds Molecular docking Network pharmacology

Biosynthesis of trialkyl-substituted aromatic polyketide NFAT-133 involves unusual P450 monooxygenase-mediating aromatization and a putative metallo-beta-lactamase fold hydrolase

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Synthetic and Systems Biotechnology 2023年第3期8卷 349-356页

作者： Ming Yang Wanlu Li Lin Zhou Xiao Lin Wenyu Zhang Yaoyao Shen Hai DENG Hou-wen Lin Yongjun Zhou Research Center for Marine Drugs Department of PharmacyRen Ji HospitalSchool of MedicineShanghai Jiao Tong UniversityShanghai200127China Institute of Marine Drugs Guangxi Key Laboratory of Marine DrugsGuangxi University of Chinese MedicineNanning530200PR China Department of Chemistry University of AberdeenAberdeenAB243UEUK

The bacterial trialkyl-substituted aromatic polyketides are structurally featured with the unusual aromatic core in the middle of polyketide chain such as TM-123(1),veramycin A(2),NFAT-133(3)and benwamycin I(4),which were discovered from Streptomyces species and demonstrated with antidiabetic and immunosuppressant activities.Though the biosynthetic pathway of 1-3 was reported as a type I polyketide synthase(PKS),the PKS assembly line was interpreted inconsistently,and it remains a mystery how the compound 3 was generated.Herein,the PKS assembly logic of 1-4 was revised by site-mutagenetic analysis of the PKS dehydratase domains.Based on gene deletion and complementation,the putative P450 monooxygenase nftE1 and metallo-beta-lactamase(MBL)fold hydrolase nftF1 were verified as essential genes for the biosynthesis of 1-4.The absence of nftE1 led to abolishment of 1-4 and accumulation of new products(5-8).Structural elucidation reveals 5-8 as the non-aromatic analogs of 1,suggesting the NftE1-catalyzed aromatic core formation.Deletion of nftF1 resulted in disappearance of 3 and 4 with the compounds 1 and 2 unaffected.As a rare MBL-fold hydrolase from type I PKSs,NftF1 potentially generates the compound 3 through two strategies:catalyze premature chain-offloading as a trans-acting thioesterase or hydrolyze the lactone-bond of compound 1 as an esterase.

关键词： Thioesterase Metallo hydrolase Metallo-beta-lactamase Aromatic polyketide Polyketide synthase P450 monooxygenase

A star-based method for precise wavelength calibration of the Chinese Space Station Telescope(CSST) slitless spectroscopic survey

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Research in Astronomy and Astrophysics 2021年第3期21卷 235-242页

作者： hai-Bo Yuan Ding-Shan deng Yang Sun Department of Astronomy Beijing Normal UniversityBeijing 100875China

The Chinese Space Station Telescope(CSST)spectroscopic survey aims to deliver high-quality low-resolution(R>200)slitless spectra for hundreds of millions of targets down to a limiting magnitude of about 21 mag,distributed within a large survey area(17500 deg2)and covering a wide wavelength range(255-1000 nm by three bands GU,GV,and GI).As slitless spectroscopy precludes the usage of wavelength calibration lamps,wavelength calibration is one of the most challenging issues in the reduction of slitless spectra,yet it plays a key role in measuring precise radial velocities of stars and redshifts of galaxies.In this work,we propose a star-based method that can monitor and correct for possible errors in the CSST wavelength calibration using normal scientific observations,taking advantage of the facts that(ⅰ)there are about ten million stars with reliable radial velocities now available thanks to spectroscopic surveys like LAMOST,(ⅱ)the large field of view of CSST enables efficient observations of such stars in a short period of time,and(ⅲ)radial velocities of such stars can be reliably measured using only a narrow segment of CSST spectra.We demonstrate that it is possible to achieve a wavelength calibration precision of a few km s^(-1) for the GU band,and about 10 to 20 kms^(-1) for the GV and GI bands,with only a few hundred velocity standard stars.Implementations of the method to other surveys are also discussed.

关键词： methods:data analysis methods:statistical techniques:spectroscopic techniques:radial velocities stars:fundamental parameters stars:kinematics and dynamics

Precision of the Chinese Space Station Telescope(CSST)stellar radial velocities

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Research in Astronomy and Astrophysics 2021年第4期21卷 207-215页

作者： Yang Sun Ding-Shan deng hai-Bo Yuan Department of Astronomy Beijing Normal UniversityBeijing 100875China

The Chinese Space Station Telescope(CSST)spectroscopic survey plans to deliver high-quality low-resolution(R>200)slitless spectra for hundreds of millions of targets down to a limiting magnitude of about 21 mag,covering a large survey area(17500 deg^(2))and a wide wavelength range(255-1000 nm by three bands GU,GV,and GI).In this work,we use empirical spectra of the Next Generation Spectral Library to simulate the CSST stellar spectra at R=250,and investigate their capabilities in measuring radial velocities.We find that velocity uncertainties depend strongly on effective temperature,weakly on metallicity for only FGK stars,and hardly on surface gravity.It is possible to deliver stellar radial velocities to a precision of about 3 kms^(-1)for AFGKM stars,and about 10 km s^(-1)for OB stars,at signal-to-noise ratio(SNR)of 100.Velocity uncertainties using single GU/GV/GI band spectra are also explored.Given the same SNR,the GU band performs best,the GV band the second best,and then the GI band.The effects of spectral normalization and the imperfect template on velocity measurements are investigated and found to be very weak.The uncertainties caused by wavelength calibration are considered and found to be moderate.Given the possible precision of radial velocities,the CSST spectroscopic survey can enable interesting science such as searching for hyper-velocity stars.Limitations of our results are also discussed.

关键词： methods:data analysis methods:statistical stars:fundamental parameters stars:kinematics and dynamics

A preliminary study of early agriculture practices at the Haojiatai site in Luohe city,Henan Province

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Science China Earth Sciences 2021年第2期64卷 307-317页

作者： Zhenhua deng hai ZHANG Wei LI Fawei LIANG Yanpeng CAO Center for the Study of Chinese Archaeology Peking UniversityBeijing 100871China School of Archaeology and Museology Peking UniversityBeijing 100871China Henan Provincial Institute of Cultural Relics and Archaeology Zhengzhou 450099China

As the most fundamental economic sector of human societies,farming has played a significant role in interactions between humans and the environment.The study of crop patterns in various regions could not only clarify the economic foundations of early societies,but also greatly improve our understanding of interactions among human beings,the environment,and other creatures.In this regard,this study focuses on early agriculture practices at the Haojiatai site,situated in the cultural and natural transitional region between North and South China.Macro plant remains from this site reveal that foxtail millet was the most important staple crop here during the Longshan and Xinzhai periods(4300–3800 cal.yr BP),along with common millet and a small amount of rice and soybean.This crop pattern is in contrast to the ancient environmental conditions of this region,and cultural factors such as agriculture traditions and food preferences may have been more important in the formation process of this crop pattern.

关键词： Huang-Huai Plain Longshan period Agriculture pattern Cultural influence

Evaluating agricultural water-use efficiency based on water footprint of crop values: a case study in Xinjiang of China

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Journal of Arid Land 2020年第4期12卷 580-593页

作者： hai Yang LONG Aihua ZHANG Pei deng Xiaoya LI Junfeng deng Mingjiang State Key Laboratory of Simulation and Regulation of Water Cycle in River Basin China Institute of Water Resources and Hydropower ResearchBeijing 100038China College of Water Conservancy and Architectural Engineering Shihezi UniversityShihezi 832003China Xinjiang Water Conservancy and Hydropower Planning and Design Management Bureau Urumqi 830000China

Efficient agricultural water use is crucial for food safety and water conservation on a global scale. To quantitatively investigate the agricultural water-use efficiency in regions exhibiting the complex agricultural structure, this study developed an indicator named water footprint of crop values(WFV) that is based on the water footprint of crop production. Defined as the water volume used to produce a unit price of crop(m^3/CNY), the new indicator makes it feasible to directly compare the water footprint of different crops from an economic perspective, so as to comprehensively evaluate the water-use efficiency under the complex planting structure. On the basis of WFV, the study further proposed an indicator of structural water-use coefficient(SWUC), which is represented by the ratio of water-use efficiency for a given planting structure to the water efficiency for a reference crop and can quantitatively describe the impact of planting structure on agricultural water efficiency. Then, a case study was implemented in Xinjiang Uygur Autonomous Region of China. The temporal and spatial variations of WFV were assessed for the planting industries in 14 prefectures and cities of Xinjiang between 1991 and 2015. In addition, contribution rate analysis of WFV for different prefectures and cities was conducted to evaluate the variations of WFV caused by different influencing factors: agricultural input, climatic factors, and planting structure. Results from these analyses indicated first that the average WFV of planting industries in Xinjiang significantly decreased from 0.293 m^3/CNY in 1991 to 0.153 m^3/CNY in 2015, corresponding to an average annual change rate of –3.532%. WFV in 13 prefectures and cities(with the exception of Karamay) has declined significantly during the period of 1991–2015, indicating that agricultural water-use efficient has effectively improved. Second, the average SWUC in Xinjiang decreased from 1.17 to 1.08 m^3/CNY in the 1990 s, and then declined to 1.00 m^3/CNY in 2011–2015. The value of SWUC

关键词： agricultural input climatic factors contribution rate planting structure structural water-use coefficient water footprint of crop values