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Elemene Antitumor Drugs Development Based on "Molecular Compatibility Theory" and Clinical Application: A Retrospective and Prospective Outlook

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Chinese Journal of Integrative Medicine 2024年第1期30卷 62-74页

作者： JIANG Xiao-ying SHI Li-ping ZHU Jun-long bai ren-ren XIE Tian School of Pharmacy Hangzhou Normal UniversityHangzhou(311121)China Key Laboratory of Elemene Class Anti-cancer Chinese Medicines Engineering Laboratory of Development and Application of Traditional Chinese MedicinesCollaborative Innovation Center of Traditional Chinese Medicines of Zhejiang ProvinceHangzhou Normal UniversityHangzhou(311121)China Good Clinical Practice Center Affliliated Hospital of Nanjing University of Chinese MedicineNanjing(210000)China

Elemene, derived from Curcuma wenyujin, one of the "8 famous genuine medicinal materials of Zhejiang province," exhibits remarkable antitumor activity. It has gained wide recognition in clinical practice for effectiveness on tumors. Dr. XIE Tian introduced the innovative concept of "molecular compatibility theory" by combining Chinese medicine principles, specifically the "monarch, minister, assistant, and envoy" theory, with modern biomedical technology. This groundbreaking approach, along with a systematic analysis of Chinese medicine and modern biomedical knowledge, led to the development of elemene nanoliposome formulations. These novel formulations offer numerous advantages, including low toxicity, well-defined composition, synergistic effects on multiple targets, and excellent biocompatibility. Following the principles of the "molecular compatibility theory", further exploration of cancer treatment strategies and methods based on elemene was undertaken. This comprehensive review consolidates the current understanding of elemene's potential antitumor mechanisms, recent clinical investigations, advancements in drug delivery systems, and structural modifications. The ultimate goal of this review is to establish a solid theoretical foundation for researchers, empowering them to develop more effective antitumor drugs based on the principles of "molecular compatibility theory".

关键词： molecular compatibility theory Chinese integrative medicine elemene antitumor activity drug delivery structural modification

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Current natural products with antihypertensive activity

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Chinese Journal of Natural Medicines 2015年第10期13卷 721-729页

作者： bai ren-ren WU Xiao-Ming XU Jin-Yi School of Medicine Emory University Department of Medicinal Chemistry China Pharmaceutical University State Key Laboratory of Natural Medicines China Pharmaceutical University

Natural products have been an important source of new drugs, which also played a dominant role in the discovery and research of new drugs for the treatment of hypertension. This review article reviews the recent progress in the research and development of natural lead compounds with antihypertensive activity, including alkaloids, diterpenes, coumarins, flavonoids, and peptides. We summarized their structures, sources, as well as the antihypertensive mechanisms. These information provides instructive reference for the following structural modifications and optimization.

关键词： Natural products Antihypertensive activity Lead compounds Action mechanism

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Synthesis of 13-β-elemene ester derivatives and evaluation of their antioxidant activity in human umbilical vein endothelial cells

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Chinese Journal of Natural Medicines 2015年第8期13卷 618-627页

作者： CHEN Ji-Chao DUAN Wen-Li bai ren-ren YAO He-Quan WU Xiao-Ming SHANG Jing XU Jin-Yi State Key Laboratory of Natural Medicines China Pharmaceutical University Department of Medicinal Chemistry China Pharmaceutical University Center for Drug Screening China Pharmaceutical University

In the present study, a series of 13-β-elemene ester derivatives were designed and prepared, and their antioxidant activity was investigated in the H2O2-treated human umbilical vein endothelial cells(HUVECs). Among the test compounds, the dimer compounds 5v and 5w exhibited the most potent antioxidant activity with significant ROS suppression being observed. Both compounds markedly inhibited the H2O2-induced changes in various biochemical substances, such as superoxide dismutase(SOD), malonyldialdehyde(MDA), nitric oxide(NO), and lactic dehydrogenase(LDH), which were superior to that of the positive control vitamin E. Furthermore, they did not produce any obvious cytotoxicity, but increased the viability of HUVECs injured by H2O2 in a dose-dependent manner. Additionally, compound 5w, designed as a prodrug-like compound, showed improved stability relative to compound 4 in vitro.

关键词： β-Elemene Antioxidant HUVECs ROS Stability

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Primitive functional groups directed distinct photocatalytic performance of imine-linked donor-acceptor covalent organic frameworks

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Nano Research 2024年第6期17卷 4994-5001页

作者： Xitong ren Jiajie Sun Yusen Li Feng bai Key Laboratory for Special Functional Materials of Ministry of Education National and Local Joint Engineering Research Center for High-Efficiency Display and Lighting TechnologySchool of Materials Science and Engineeringand Collaborative Innovation Center of Nano Functional Materials and ApplicationsHenan UniversityKaifeng 475004China School of Physics and Electronics Henan UniversityKaifeng 475004China

The combination of donor-acceptor(D-A)structures presents a viable strategy for fabricating covalent organic frameworks(COFs)with exceptional photocatalytic performances.Nevertheless,the selection of functional groups on donor or acceptor building blocks and their effect on the macroscopic properties of COFs are ambiguous.In this study,we tactfully synthesized a pair of Py-DBT-COFs from the same pyrene(Py)donor and 4,7-diphenylbenzo[c][1,2,5]thiadiazole(DBT)acceptor cores with distinct primitive functional groups.The primitive functional groups of building units determine the photocatalytic properties of corresponding Py-DBT-COFs.Specifically,Py-C-DBT-COF synthesized from Py-4CHO and DBT-2NH_(2)showcases a splendid H_(2)evolution rate as high as 21,377.7μmol/(g·h)(with 5 wt.%Pt)originating from better charge transfer capacity,which is significantly superior to that of Py-N-DBT-COF constructed from Py-4NH_(2)and DBT-2CHO.The distinct photocatalytic performances of the two COFs are demonstrated to originate from the different charge separation and transfer capabilities.This work supplies a new avenue for optimizing the photocatalytic performance of D-A COFs from the perspective of primitive functional group selections.

关键词： covalent organic frameworks functional group donor-acceptor photocatalysis

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Reliable calculations of nuclear binding energies by the Gaussian process of machine learning

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Nuclear Science and Techniques 2024年第6期35卷 130-144页

作者： Zi-Yi Yuan Dong bai Zhen Wang Zhong-Zhou ren School of Physics Science and Engineering Tongji UniversityShanghai 200092China College of Science Hohai UniversityNanjing 211100China Key Laboratory of Advanced Micro-Structure Materials Ministry of EducationShanghai 200092China

Reliable calculations of nuclear binding energies are crucial for advancing the research of nuclear physics.Machine learning provides an innovative approach to exploring complex physical problems.In this study,the nuclear binding energies are modeled directly using a machine-learning method called the Gaussian process.First,the binding energies for 2238 nuclei with Z>20 and N>20 are calculated using the Gaussian process in a physically motivated feature space,yielding an average deviation of 0.046 MeV and a standard deviation of 0.066 MeV.The results show the good learning ability of the Gaussian process in the studies of binding energies.Then,the predictive power of the Gaussian process is studied by calculating the binding energies for 108 nuclei newly included in AME2020.The theoretical results are in good agreement with the experimental data,reflecting the good predictive power of the Gaussian process.Moreover,the-decay energies for 1169 nuclei with 50≤Z≤110 are derived from the theoretical binding energies calculated using the Gaussian process.The average deviation and the standard deviation are,respectively,0.047 MeV and 0.070 MeV.Noticeably,the calculated-decay energies for the two new isotopes 204 Ac(Huang et al.Phys Lett B 834,137484(2022))and 207 Th(Yang et al.Phys Rev C 105,L051302(2022))agree well with the latest experimental data.These results demonstrate that the Gaussian pro-cess is reliable for the calculations of nuclear binding energies.Finally,the-decay properties of some unknown actinide nuclei are predicted using the Gaussian process.The predicted results can be useful guides for future research on binding energies and-decay properties.

关键词： Nuclear binding energies decay Machine learning Gaussian process

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Observing eddy dye patches induced by shear instabilities in the surf zone on a plane beach

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Acta Oceanologica Sinica 2024年第3期43卷 15-29页

作者： Chunping ren Nannan Fu Chong Yu Yuchuan bai Kezhao Fang State Key Laboratory of Hydraulic Engineering Simulation and Safety Tianjin UniversityTianjin 300072China College of Water Resource Science and Engineering Taiyuan University of TechnologyTaiyuan 030024China State Key Laboratory of Coastal and Offshore Engineering Dalian University of TechnologyDalian 116024China

The effects of surf zone eddy generated by alongshore currents on the deformation and transport of dye are still poorly understood,and related tracer release experiments are lacking.Therefore,a tracer release laboratory experiment was conducted under monochromatic,unidirectional incident waves with a large incident angle(30°)on a plane beach with a 1:100 slope in a large wave basin.A charge-coupled device suspended above the basin recorded the dye patch image.The evolution of eddy dye patch was observed and the transport and diffusion were analyzed based on the collected images.Subsequently,a linear instability numerical model was adopted to calculate the perturbation velocity field at the initial stage.The observation and image processing results show that surf zone eddy patches occurred and were separated from the original dye patches.Our numerical analysis results demonstrate that the structure of the perturbation velocity field is consistent with the experimental observations,and that the ejection of eddy patches shoreward or offshore may be ascribed to the double vortex.

关键词： surf zone tracer release experiment evolution of eddy patch shear instability of alongshore currents

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Identifying the effective combination of acupuncture and traditional Chinese medicinal herbs for postmenopausal osteoporosis therapy through studies of their molecular regulation of bone homeostasis

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Journal of Traditional Chinese Medicine 2024年第1期44卷 212-219页

作者： ren Ping WANG Quanwu bai Wei SUN Miao LIU Zheling GAO Ming WANG Liang PENG Bo XU Liguang Department of Health Management the Third Affiliated Clinical Hospital of Changchun University of Chinese MedicineChangchun 130117China Department of Dirty Tuina the affiliated Hospital to Changchun University of Chinese MedicineChangchun 130117China Department of Acupuncture the affiliated Hospital to Changchun University of Chinese MedicineChangchun 130117China Department of Rehabilitation Medicine the 924th Hospital of the PLA Joint Logistic Support ForceFoshan 528226China Department of College of Acupuncture and Massage Changchun University of Chinese MedicineChangchun 130117China

Worldwide,as the population age,osteoporosis is becoming increasingly common,and osteoporotic fractures have a significant economic burden.Postmenopausal women are the most susceptible to developing osteoporosis and the most critical time to prevent it is during the perimenopausal and early menopausal years.In this regard,we hypothesize rational combination of acupuncture and Traditional Chinese Medicine(TCM)in the form of herbal extract could prevent osteoporosis in women.Estrogen deficiency during menopause causes low-level inflammation that stimulates the formation of osteoclasts,the boneresorbing cells,and simultaneously inhibits the viability and function of osteoblasts,the bone-forming cells.The most potent inflammatory cytokine in skeletal homeostasis is the receptor activator of nuclear factor kappa B ligand(RANKL)that stimulates osteoclast function.Conversely,the canonical Wnt pathway is essential for osteoblastogenesis and bone formation,and estrogen deficiency leads to diminished functioning of this pathway.TCM and acupuncture could target the RANKL and the Wnt pathway in favorable ways to prevent the accelerated bone loss experienced during the early menopausal stage and promote the gain in bone mass in postmenopausal women.In this review,we propose a rational combination of specific TCM and acupuncture targeting those signaling molecules/pathways by the drugs that are in clinical use for the treatment of postmenopausal osteoporosis.Our rational approach revealed that Danshen(Radix Salviae Miltiorrhizae)could exert a synergistic effect with acupuncture.We then propose a translational path for developing the putative combination in women with postmenopausal osteoporosis to curtail the risk of osteoporotic fractures.

关键词： medicine traditional osteogenic anti-resorptive review

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Abnormal mechanochemical effect in ultraprecision machining of an additively manufactured precipitation-strengthened high-entropy alloy

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Journal of Materials Science & Technology 2024年第3期170卷 221-237页

作者： Long Xu Yuchao bai Yunfa Guo Chang ren Xiaohua Tan Yandong Jia Gang Wang Hao Wang Institute of Materials Shanghai UniversityShanghai 200444China Zhejiang Institute of Advanced Materials Shanghai UniversityJiashan 314100China Department of Mechanical Engineering National University of SingaporeSingapore 117575Singapore

Recently,researchers have explored the use of precipitation strengthening and finer microstructures with high-density dislocations in additive manufacturing to produce high-entropy alloys(HEAs)with adjustable properties.However,the inherent surface roughness and lack of machinability research in AMed HEAs limit their engineering applications.In this study,we systematically investigated the microstructural characteristics,mechanical properties,and machinability of Fe_(29.3)Co_(28.7)Ni_(28.6)Al_(6.8)Ti_(6.6)(at.%)HEAs with three different structures:single FCC phase cellular(SPC),dual precipitation-strengthened(DPS),and single precipitation-strengthened(SPS).These structures were fabricated by selective laser melting and isothermally annealing at 780 and 940℃.Compared to SPC HEA,DPS HEA exhibits a significant increase in yield strength and ultimate tensile strength but with a dramatic sacrifice in ductility.SPS HEA exhibits similar mechanical properties to SPC HEA due to the pronounced coarsening of L21 precipitates.The ultraprecision machining micro-cutting test showed that SPC HEA had a significant mechanochem-ical effect,as evidenced by a sharp drop in cutting force for inked workpieces,but not DPS HEA.An abnormal finding was that the negligible reflection of cutting force for SPS HEAs suggested a negative mechanochemical effect,even though SPS HEA had equally excellent plasticity like SPC HEA.It was found that nanocrystallization-induced strength enhancement and ductility reduction of SPS HEA lead to chips’deformation dominated by shear avalanche rather than chip folding of SPC HEA,which involves the reduction of surface energy and friction of chips’interfaces.Overall,these results and our research findings may guide the machining of AMed precipitation-strengthened HEAs and accelerate their engineering ap-plication.

关键词： High-entropy alloy Selective laser melting Precipitation strengthening Machinability Mechanochemical effect

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Knowledge,Attitude,and Practice Towards Mpox and Associated Factors Among HIV-Infected Individuals—Beijing Municipality,China,2023

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China CDC weekly 2024年第7期6卷 109-117,I0001,I0002页

作者： Yue Gu Ruiqi ren Jing Han Wenqing bai Yuanyuan Zhang Haoliang Liu Zhaohe Li Chao Li Rui Song Lei Zhou Chinese Center for Disease Control and Prevention BeijingChina National Center for Infectious Diseases Beijing Ditan HospitalCapital Medical UniversityBeijingChina Beijing Key Laboratory of Emerging Infectious Diseases Institute of Infectious DiseasesBeijing Ditan HospitalCapital Medical UniversityBeijingChina Nanjing Medical University Nanjing CityJiangsu ProvinceChina

Summary What is already known about this topic?Approximately 50%of patients with mpox are human immunodeficiency virus(HIV)-infected globally.Studies have shown that individuals with advanced HIV infection tend to hav... 详细信息

关键词： mortality Infect clinical

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Internal electric field modulation by copper vacancy concentration of cuprous sulfide nanosheets for enhanced selective CO_(2) photoreduction

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Journal of Energy Chemistry 2024年第4期91卷 324-330页

作者： Xian Shi Weidong Dai Xiaoqian Li Yang bai Qin ren Yao Lei Xing'an Dong School of Chemistry and Environmental Engineering Sichuan University of Science&EngineeringZigong 643000SichuanChina State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation School of Oil&Natural Gas EngineeringSouthwest Petroleum UniversityChengdu 610500SichuanChina Chongqing Key Laboratory of Photo-Electric Functional Materials College of Physics and Electronic EngineeringChongqing Normal UniversityChongqing 401331SichuanChina Research Center for Environmental and Energy Catalysis Institute of Fundamental and Frontier SciencesUniversity of Electronic Science and Technology of ChinaChengdu 611731SichuanChina

Although the internal electric field(IEF)of photocatalysts is acknowledged as a potent driving force for photocharge separation,modulating the IEF intensity to achieve enhanced photocatalytic performances remains a challenge.Herein,cuprous sulfide nanosheets with different Cu vacancy concentration were employed to study IEF modulation and corresponding direct charge transfer.Among the samples,Cu_(1.8)S nanosheets possessed intensified IEF intensity compared with those of Cu_(2)S and Cu_(1.95)S nanosheets,suggesting that an enhanced IEF intensity could be achieved by introducing more Cu vacancies.This intensified IEF of Cu_(1.8)S nanosheets induced numerous photogenerated electrons to migrate to its surface,and the dissociative electrons were then captured by Cu vacancies,resulting in efficient charge separation spatially.In addition,the Cu vacancies on Cu_(1.8)S nanosheets accumulated electrons as active sites to lower the energy barrier of rate-determining step of CO_(2)photoreduction,leading to the selective conversion of CO_(2)to CO.Herein,the manipulation of IEF intensity through Cu vacancy concentration regulation of cuprous sulfide photocatalysts for efficient charge separation has been discussed,providing a scientific strategy to rationally improve photocata lytic performances for solar energy conversion.

关键词： Internal electric field intensity Cuprous sulfide photocatalysts Cu vacancies Charge separation Selective CO_(2) photoreduction

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