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Uncovering Chemical Interactions between Danshen and Danggui Using Liquid Chromatography–Mass Spectrometry and Network Pharmacology-Based Research on Stroke

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World Journal of Traditional Chinese Medicine 2024年第2期10卷 230-243页

作者： Han-Qing Pang Jia-Xiu Guo Xiao-Yu Shang Jian Wang hui Liu Jing Tian Lu Zhang Jian-Bin Wang Wei Shi Bing-chun Yan Liang Liu Department of Pharmacy School of MedicineInstitute of Translational MedicineYangzhou UniversityYangzhouChina School of Medicine Jiangsu Key Laboratory of Integrated Traditional Chinese and Western Medicine for Prevention and Treatment of Senile DiseasesYangzhou UniversityYangzhouChina School of Chemistry and Pharmaceutical Sciences State Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources(Guangxi Normal University)GuilingChina Yangzhou Food and Drug Inspection and Testing Center YangzhouChina

Objective: The objective of this study was to decipher chemical interactions between Danshen and Danggui using liquid chromatography–mass spectrometry(LC-MS) and explore the mechanisms of Danshen–Danggui against stroke using network pharmacology and molecular docking. Materials and Methods: First, the chemical compounds of Danshen–Danggui were profiled using ultra-high-performance liquid chromatography(HPLC)-quadrupole time-of-flight MS. Accurately characterized compounds in various proportions of Danshen–Danggui were quantified using HPLC combined with triple quadrupole electrospray tandem MS. Network pharmacology was used to uncover the essential mechanisms of action of Danshen–Danggui against stroke. Discovery Studio Software was used for the molecular docking verification of key active chemicals and stroke-related targets. Results: A total of 53 compounds were characterized, and 22 accurately identified constituents(10 phenolic acids, 8 phthalides, and 4 tanshinones) were quantified in 15 proportions of Danshen–Danggui. The quantification results showed that Danggui significantly increased the dissolution of most phenolic acids(compounds from Danshen), whereas Danshen promoted the dissolution of most phthalides(compounds from Danggui). Overall, the combination of Danshen and Danggui at a 1:1 ratio resulted in the maximum total dissolution rate. Further network pharmacology and molecular docking results indicated that Danshen–Danggui exerted anti-stroke effects mainly by regulating inflammation-related(tumor necrosis factor, hypoxia-inducible factor, and toll-like receptor) signaling pathways, which ranked among the top three pathways based on Kyoto Encyclopedia of Genes and Genomes(KEGG) enrichment analysis. Conclusion: The chemical compounds in Danshen–Danggui could interact with each other to increase the dissolution of the most active compounds, which could provide a solid basis for uncovering the compatibility mechanisms of Danshen–Danggui and Danshen–Danggu

关键词： Chemical interactions Danggui Danshen liquid chromatography–mass spectrometry network pharmacology

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Magnetic-biased chiral molecules enabling highly oriented photovoltaic perovskites

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National Science Review 2024年第2期11卷 221-230页

作者： Jing Chen Caner Deger Zhen-Huang Su Kai-Li Wang Guang-Peng Zhu Jun-Jie Wu Bing-Chen He chun-Hao Chen Tao Wang Xing-Yu Gao Ilhan Yavuz Yan-hui Lou Zhao-Kui Wang Liang-Sheng Liao Institute of Functional Nano&Soft Materials(FUNSOM) Laboratory of Advanced Negative Carbon TechnologiesSoochow University Department of Physics Marmara University Shanghai Synchrotron Radiation Facility(SSRF) Shanghai Advanced Research InstituteChinese Academy of Sciences College of Energy Soochow Institute for Energy and Materials Innovations Soochow University Macao Institute of Materials Science and Engineering Macau University of Science and Technology

The interaction between sites A, B and X with passivation molecules is restricted when the conventional passivation strategy is applied in perovskite（ABX3） photovoltaics. Fortunately, the revolving A-site presents an opportunity to strengthen this interaction by utilizing an external field. Herein, we propose a novel approach to achieving an ordered magnetic dipole moment, which is regulated by a magnetic field via the coupling effect between the chiral passivation molecule and the A-site（formamidine ion） in *** strategy can increase the molecular interaction energy by approximately four times and ensure a well-ordered molecular arrangement. The quality of the deposited perovskite film is significantly optimized with inhibited nonradiative recombination. It manages to reduce the open-circuit voltage loss of photovoltaic devices to 360 mV and increase the power conversion efficiency to 25.22%. This finding provides a new insight into the exploration of A-sites in perovskites and offers a novel route to improving the device performance of perovskite photovoltaics.

关键词： perovskite photovoltaics magnetic moment A-site regulation chiral molecules

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Identification of a dual functional betulinic acid analog for the treatment of osteoarthritis by phenotypic screening

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Science China Life Sciences 2024年

作者： Ze-Min Lin Mai Xiang Wen-hui Wei Shu-hui Fan Li Chen Jie Wang Xiao-Qian Yang chun-Hao Yang Shi-Jun He Jian-Ping Zuo Laboratory of Immunopharmacology State Key Laboratory of Drug Research Shanghai Institute of Materia Medica Chinese Academy of Sciences School of Pharmacy University of Chinese Academy of Sciences School of Pharmacy Nanjing University of Chinese Medicine State Key Laboratory of Drug Research Department of Medicinal Chemistry Shanghai Institute of Materia Medica Chinese Academy of Sciences Innovation Research Institute of Traditional Chinese Medicine Shanghai University of Traditional Chinese Medicine Experiment Center for Science and Technology Shanghai University of Traditional Chinese Medicine

Dear Editor,Phenotypic drug discovery, which observes compound effects on physiology,has given way to targeting specific molecules, but has revived by using modern methods to find drugs based on therapeutic outcomes i...

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Aldo-keto reductase family member C3(AKR1C3)promotes hepatocellular carcinoma cell growth by producing prostaglandin F2α

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Oncology Research 2024年第1期32卷 163-174页

作者： KUO-SHYANG JENG PO-YU CHENG YUEH-HSIEN LIN PO-chun LIU PING-hui TSENG YU-CHAO WANG CHIUNG-FANG CHANG CHUEN-MIIN LEU Division of General Surgery Far Eastern Memorial HospitalNew Taipei City22060Taiwan Institute of Microbiology and Immunology National Yang Ming Chiao Tung UniversityTaipei City11221Taiwan Institute of Biochemistry and Molecular Biology National Yang Ming Chiao Tung UniversityTaipei City11221Taiwan Institute of Biomedical Informatics National Yang Ming Chiao Tung UniversityTaipei City11221Taiwan Department of Medical Research Far Eastern Memorial HospitalNew Taipei City22060Taiwan

Hepatocellular carcinoma(HCC)is a leading cause of death *** therapies are effective for HCC patients with early disease,but many patients suffer recurrence after surgery and have a poor response to ***,new therapeutic targets are *** analyzed gene expression profiles between HCC tissues and normal adjacent tissues from public databases and found that the expression of genes involved in lipid metabolism was significantly *** analysis showed that AKR1C3 was upregulated in tumors,and high AKR1C3 expression was associated with a poorer prognosis in HCC *** vitro,assays demonstrated that the knockdown of AKR1C3 or the addition of the AKR1C3 inhibitor indomethacin suppressed the growth and colony formation of HCC cell *** of AKR1C3 in Huh7 cells reduced tumor growth in *** explore the mechanism,we performed pathway enrichment analysis,and the results linked the expression of AKR1C3 with prostaglandin F2 alpha(PGF2a)downstream target *** of AKR1C3 activity reduced the production of PGF2a,and supplementation with PGF2a restored the growth of indomethacin-treated Huh7 *** of the PGF receptor(PTGFR)and treatment with a PTGFR inhibitor significantly reduced HCC *** showed that indomethacin potentiated the sensitivity of Huh7 cells to *** summary,our results indicate that AKR1C3 upregulation may promote HCC growth by promoting the production of PGF2α,and suppression of PTGFR limited HCC ***,targeting the AKR1C3-PGF2a-PTGFR axis may be a new strategy for the treatment of HCC.

关键词： Hepatocellular carcinoma Aldo-keto reductase family member C3 Prostaglandin F2 alpha Prostaglandin F receptor

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云环境下工业信息物理系统现场层安全策略决策方法

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控制与决策 2024年第1期39卷 281-290页

作者：朱美潘杨健晖李欣格杜鑫周纯杰华中科技大学人工智能与自动化学院武汉430070 华中科技大学网络空间安全学院武汉430070

云环境下工业信息物理系统架构的转变使得工业现场设备更加暴露于网络攻击下,对工业现场层提出更高的安全需求.随着系统结构愈渐复杂,网络攻击更加智能,系统难以准确获取安全状态,传统的基于状态的安全决策方法将不能实现有效防护,对此... 详细信息

云环境下工业信息物理系统架构的转变使得工业现场设备更加暴露于网络攻击下,对工业现场层提出更高的安全需求.随着系统结构愈渐复杂,网络攻击更加智能,系统难以准确获取安全状态,传统的基于状态的安全决策方法将不能实现有效防护,对此提出一种工业信息物理系统现场层安全策略决策方法.首先,根据功能结构划分现场区域,分析潜在的攻击目标、攻击事件与系统防御策略间的关联性,构建攻击防御树;然后,从攻击和防护属性的视角,利用模糊层次分析法量化防御策略收益;接着,结合部分攻击状态构建部分可观的马尔可夫决策过程模型,通过求解模型得到最优安全策略;最后,以简化的田纳西-伊斯曼过程控制系统为对象验证所提出方法能够有效地决策出最优安全策略.

关键词：工业信息物理系统现场层安全策略决策部分可观的马尔可夫决策过程

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面向全量测点耦合结构分析与估计的工业过程监测方法

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自动化学报 2024年第8期50卷 1517-1538页

作者：赵健程赵春晖浙江大学控制科学与工程学院杭州310027

实际工业场景中,需要在生产过程中收集大量测点的数据,从而掌握生产过程运行状态.传统的过程监测方法通常仅评估运行状态整体的异常与否,或对运行状态进行分级评估,这种方式并不会直接定位故障部位,不利于故障的高效检修.为此,提出一种... 详细信息

实际工业场景中,需要在生产过程中收集大量测点的数据,从而掌握生产过程运行状态.传统的过程监测方法通常仅评估运行状态整体的异常与否,或对运行状态进行分级评估,这种方式并不会直接定位故障部位,不利于故障的高效检修.为此,提出一种基于全量测点估计的监测模型,根据全量测点估计值与实际值的偏差定义监测指标,从而实现全量测点的分别精准监测.为克服原有的基于工况估计的监测方法监测不全面且对测点间耦合关系建模不充分的问题,提出多核图卷积网络(Multi-kernel graph convolutional network,MKGCN),通过将全量传感器测点视为一张全量测点图,显式地对测点间耦合关系进行建模,从而实现全量传感器测点的同步工况估计.此外,面向在线监测场景,设计基于特征逼近的自迭代方法,从而克服在异常情况下由于测点间强耦合导致的部分测点估计值异常的问题.所提出的方法在电厂百万千瓦超超临界机组中引风机的实际数据上进行验证,结果显示,与其他典型方法相比,所提出的监测方法能够更精准地检测出发生故障的测点.

关键词：自迭代特征替换多核图卷积网络全量测点估计故障检测

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The cGAS-STING-interferon regulatory factor 7 pathway regulates neuroinflammation in Parkinson's disease

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Neural Regeneration Research 2025年第8期20卷 2361-2372页

作者： Shengyang Zhou Ting Li Wei Zhang Jian Wu hui Hong Wei Quan Xinyu Qiao chun Cui Chenmeng Qiao Weijiang Zhao Yanqin Shen Laboratory of Neurodegenerative and Neuroinjury Diseases Wuxi Medicine SchoolJiangnan UniversityWuxiJiangsu ProvinceChina

Interferon regulatory factor 7 plays a crucial role in the innate immune ***,whether interferon regulatory factor 7-mediated signaling contributes to Parkinson's disease remains *** we report that interferon regulatory factor 7 is markedly up-regulated in a 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine-induced mouse model of Parkinson's disease and co-localizes with microglial *** the selective cyclic guanosine monophosphate adenosine monophosphate synthase inhibitor RU.521 and the stimulator of interferon genes inhibitor H151 effectively suppressed interferon regulatory factor 7 activation in BV2 microglia exposed to 1-methyl-4-phenylpyridinium and inhibited transformation of mouse BV2 microglia into the neurotoxic M1 *** addition,si RNA-mediated knockdown of interferon regulatory factor 7 expression in BV2 microglia reduced the expression of inducible nitric oxide synthase,tumor necrosis factorα,CD16,CD32,and CD86 and increased the expression of the anti-inflammatory markers ARG1 and *** together,our findings indicate that the cyclic guanosine monophosphate adenosine monophosphate synthase-stimulator of interferon genes-interferon regulatory factor 7 pathway plays a crucial role in the pathogenesis of Parkinson's disease.

关键词： cyclic guanosine monophosphate adenosine monophosphate synthase H151 interferon regulatory factor 7 M1 phenotype neurodegenerative disease neuroinflammation Parkinson’s disease RU521 STING type I interferon

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Effect of ellagitannin metabolites ellagic acid and urolithins A-D on the non-enzymatic glycation of human serum albumin and inhibiting mechanisms

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Food Science and Human Wellness 2024年

作者： Lu Zhang chun-yan Peng Wen-na Zhou Fei-yan Lu Lin-ju Xu Qing-hui Wen Xing Xie Zong-cai Tu National R&D Center of Freshwater Fish Processing， College of Life Science， Jiangxi Normal University State Key Laboratory of Food Science and Resources， Nanchang University

Effect of ellagitannins gut microbiota metabolites ellagic acid (EA) and urolithin A-urolithin D (UroA-UroD) on human serum albumin (HSA) glycation were firstly evaluated in this research. The inhibition mechanisms were investigated by methylglyoxal (MGO) trapping and radical scavenging ability assays， docking studies and Nano LC-Orbitrap-MS/MS technology. Results indicated that the inhibition of urolithins on HSA glycation was highly positive correlated with the number of phenolic hydroxy groups. Addition of UroD and EA could effectively enhance the content of free amino group， suppress dicarbonyl compounds and advanced glycation end-products (AGEs) formation， alleviated tryptophan and protein oxidation， inhibited HSA amyloid-like aggregation. They could also trap MGO and scavenge DPPH· and ABTS·+. Molecular docking indicated that EA and UroA-UroD interact with HSA mainly through hydrogen bound and hydrophobic interaction， among which two or three hydrogen bonds were formed. The number of glycation sites were reduced from 11 to 10， 10， 7， and 10， respectively， when 90 μmol/L of EA， UroA， UroC and UroD were added. However， weak inhibition was observed on UroA and UroB. These findings can provide scientific evidence for the application of ellagitannins-rich foods in alleviating diabetic complications.

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Plant diversity increases diversity and network complexity rather than alters community assembly processes of leaf-associated fungi in a subtropical forest

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Science China Life Sciences 2024年

作者： Jie Li Xing-chun Li hui-Yun Gan Yue Zhang Zi-Xuan Guo Yu-Xuan Liu Yong-Qing Lin Liang-Dong Guo State Key Laboratory of Mycology Institute of Microbiology Chinese Academy of Sciences College of Life Sciences University of Chinese Academy of Sciences

Plant diversity significantly impacts ecosystem processes and functions, yet its influence on the community assembly of leaf fungi remains poorly understood. In this study, we investigated leaf epiphytic and endophytic fungal communities in a Chinese subtropical tree species richness experiment, ranging from 1 to 16 species, using amplicon sequencing to target the internal transcribed spacer 1 region of the rDNA. We found that the community assembly of epiphytic and endophytic fungi was predominantly governed by stochastic processes, with a higher contribution of dispersal limitation on epiphytic than on endophytic fungal communities but a higher contribution of selection on endophytic than on epiphytic fungal communities. The plant-epiphytic fungus interaction network was more complex(e.g., more highly connected and strongly nested but less specialized and modularized) than the plant-endophytic fungus interaction network. Additionally,tree species richness was positively correlated with the network complexity and diversity of epiphytic(α-, β-and γ-diversity) and endophytic(β-and γ-diversity) fungi, but was not associated with the contribution of the stochastic and deterministic processes on the community assembly of epiphytic and endophytic fungi. This study highlights that tree species diversity enhances the diversity and network complexity,rather than alters the ecological processes in community assembly of leaf-associated fungi.

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Physical exercise reverses immuno-cold tumor microenvironment via inhibiting SQLE in non-small cell lung cancer

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Military Medical Research 2024年第4期11卷 616-619页

作者： Zhi-Wen Luo Ya-Ying Sun Wei Xia Jun-Ying Xu Dong-Jing Xie chun-Meng Jiao Ji-Ze Dong hui Chen Ren-Wen Wan Shi-Yi Chen Jie Mei Wen-Jun Mao Department of Sports Medicine Huashan Hospital Affiliated to Fudan UniversityShanghai 200040China Department of Sports Medicine Shanghai General HospitalShanghai 200080China Department of Critical Care Medicine the Affiliated Wuxi People’s Hospital of Nanjing Medical UniversityWuxi 214023JiangsuChina Department of Oncology the Affiliated Wuxi People’s Hospital of Nanjing Medical UniversityWuxi 214023JiangsuChina Guangdong Pharmaceutical University Guangzhou 510006China Institute of Acupuncture Research Institutes of Integrative MedicineFudan UniversityShanghai 200433China Department of Cardiothoracic Surgery the Affiliated Wuxi People’s Hospital of Nanjing Medical UniversityWuxi 214023JiangsuChina

Dear Editor,Physical exercise has been shown to be associated with reduced cancer incidence and cancer-associated mortality[1,2],but the underlying mechanisms are *** regulation has emerged as one of the most prominent mechanisms explaining the effects of exercise on cancer[1,2].Physical exercise primarily lowers blood cholesterol and triglycerides,and protects against cardiovascular diseases[3].However,whether physical exercise can modulate cholesterol metabolism in tumor cells is currently unknown.

关键词： Physical exercise Non-small cell lung cancer(NSCLC) Squalene epoxidase(SQLE) Tumor immune microenvironment(TIME)

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