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Chalcone derivatives as novel,potent and selective inhibitors against human Notum:Structure–activity relationships and biological evaluations

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Chinese Chemical Letters 2024年第3期35卷 321-325页

作者： Jin-Hui Shi Bei Zhao Li-Lin Song Yu-Qing Song Meng-Ru sun Tian Tian Hong-Yu Chen Yun-Qing Song Jian-Ming sun Guang-Bo Ge Shanghai Frontiers Science Center of TCM Chemical Biology Institute of Interdisciplinary Integrative Medicine Research Shanghai University of Traditional Chinese MedicineShanghai 201203China Dalian Engineering Research Center for Carbohydrate Agricultural Preparations Liaoning Provincial Key Laboratory of CarbohydratesDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China Seventh People's Hospital of Shanghai University of Traditional Chinese Medicine Shanghai 200137China

Human Notum(hNotum)inhibitors could be used for treating Wnt signalling-associated diseases including colorectal cancer.Herein,two series of chalcone derivatives were designed and synthesized aiming to find selective and potent hNotum inhibitors.Structure–activity relationship(SAR)studies showed that 2-methoxyl and 5-bromine substitutions on A-ring significantly enhanced anti-hNotum effect,while 4’-ethoxyl and 3’-alkyl substitutions on B-ring were beneficial for hNotum inhibition.Among all tested chalcones,B11 displayed the most potent anti-Notum effect(IC_(50)=3.6 nmol/L),good selectivity,excellent chemical stability and suitable metabolic stability.Further investigations showed that B11 acted as a competitive inhibitor of hNotum,while this agent(5μmol/L)significantly weaken the migration abilities of colorectal cancer cells.Collectively,this study deciphers the SARs of chalcones as hNotum inhibitors and reports a novel and potent hNotum inhibitor with the anti-migration effect on colorectal cancer cells,which offers a promising lead compound to develop novel anti-cancer agents.

关键词： Human notum(hNotum) Chalcone Computer-assisted drug discovery Structure–activity relationship(SAR) Anti-colorectal cancer agent

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Rational design of Fe-N-C electrocatalysts for oxygen reduction reaction:From nanoparticles to single atoms

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Nano Research 2022年第3期15卷 1753-1778页

作者： mengru sun Changli Chen Menghao Wu Danni Zhou Zhiyi sun Jianling Fan Wenxing Chen Yujing Li Beijing Key Laboratory of Construction Tailorable Advanced Functional Materials and Green Applications Experimental Center of Advanced MaterialsSchool of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China Department of Physics and Engineering Technology Guilin Normal CollegeGuilin 541199China

As an alternative energy,hydrogen can be converted into electrical energy via direct electrochemical conversion in fuel cells.One important drawback of full cells is the sluggish oxygen reduction reaction(ORR)promoted by the high-loading of platinum-group-metal(PGM)electrocatalysts.Fe-N-C family has been received extensive attention because of its low cost,long service life and high oxygen reduction reaction activity in recent years.In order to further enhance the ORR activity,the synthesis method,morphology regulation and catalytic mechanism of the active sites in Fe-N-C catalysts are investigated.This paper reviews the research progress of Fe-N-C from nanoparticles to single atoms.The structure-activity relationship and catalytic mechanism of the catalyst are studied and discussed,which provide a guidance for rational design of the catalyst,so as to promote the more reasonable design of Fe-N-C materials.

关键词： nanoparticle catalyst controlled structure regulation single atomic catalyst local atomic regulation synergistic effect

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Dual-metal single-atomic catalyst:The challenge in synthesis,characterization,and mechanistic investigation for electrocatalysis

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SmartMat 2022年第4期3卷 533-564页

作者： Changli Chen mengru sun Kaixuan Wang Yujing Li Beijing Key Laboratory of Construction Tailorable Advanced Functional Materials and Green Applications Experimental Center of Advanced MaterialsSchool of Materials Science and EngineeringBeijing Institute of TechnologyBeijingChina

Dual-metal single-atom catalysts(DACs),featuring high atomic utilization efficiency,excellent selectivity,and stability originating from the atomically dispersed nature,have emerged as a new frontier in heterogeneous electrocatalysis due to the synergistic effect between diversified metal active sites in promoting their catalytic activity.In this review,the recent progress and development on the syntheses,characterizations,theoretical uniqueness,and applications for various catalytic reactions and devices(oxygen reduction reaction,oxygen evolution reaction,hydrogen evolution reaction,CO_(2) reduction reaction,N2 reduction reaction,proton exchange membrane fuel cells)are summarized and reviewed.Specifically,the synergistic effect between the two metal centers and electronic structures of catalysts is systematically discussed.Moreover,the future challenges and prospects in developing practical DACs are proposed as a possible direction for further investigation.

关键词： dual-metal single-atomic catalyst electrocatalysis proton exchange membrane fuel cells

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Surface Molecular Encapsulation with Cyclodextrin in Promoting the Activity and Stability of Fe Single-Atom Catalyst for Oxygen Reduction Reaction

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Energy & Environmental Materials 2023年第2期6卷 303-310页

作者： Changli Chen Haijing Li Jingzhao Chen Dong Li Wenxing Chen Juncai Dong mengru sun Yujing Li Beijing Key Laboratory of Construction Tailorable Advanced Functional Materials and Green Applications Experimental Center of Advanced MaterialsSchool of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China Beijing Synchrotron Radiation Facility Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China Clean Nano Energy Center State Key Laboratory of Metastable Materials Science and TechnologyYanshan UniversityQinhuangdao 066004China

Fe single-atom catalysts(Fe-SACs)have been extensively studied as a highly efficient electrocatalyst toward the oxygen reduction reaction(ORR).Nonetheless,they suffer from stability issue induced by dissolution of Fe metal center and the OH^(−)blocking.Herein,a surface molecular engineering strategy is developed by usingβ-cyclodextrins(CDs)as a localized molecular encapsulation.The CD-modified Fe-SAC(Fe-SNC-β-CD)shows obviously improved activity toward the ORR with 0.90 V,4.10 and 4.09 mA cm^(-2)for E_(1/2),J_(0)and Jk0.9,respectively.Meanwhile,the Fe-SNC-β-CD shows the excellent long-term stability against aggressive stress and the poisoning.It is confirmed through electrochemical investigation that modification ofβ-CD can,on one hand,regulate the atomic Fe coordination chemistry through the interaction between the CD and FeN_(x) moiety,while on the other mitigate the strong adsorption of OH^(−)and function as protective barrier against the poisoning molecules leading to enhanced ORR activity and stability for the Fe-SACs.The molecular encapsulation strategy demonstrates the uniqueness of post-pyrolysis surface molecular engineering for the design of single-atom catalyst.

关键词： oxygen reduction reaction singe atom catalyst stability surface molecular engineering

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Functional annotation map of natural compounds in traditional Chinese medicines library: TCMs with myocardial protection as a case

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药学学报:英文版 2023年第9期13卷 3802-3816页

作者： Xudong Xing mengru sun Zifan Guo Yongjuan Zhao Yuru Cai Ping Zhou Huiying Wang Wen Gao Ping Li Hua Yang State Key Laboratory of Natural Medicines School of Traditional Chinese PharmacyChina Pharmaceutical UniversityNanjing 211198China

The chemical complexity of traditional Chinese medicines(TCMs) makes the active and functional annotation of natural compounds challenging. Herein, we developed the TCMs-Compounds Functional Annotation platform(TCMs-CFA) for large-scale predicting active compounds with potential mechanisms from TCM complex system, without isolating and activity testing every single compound one by one. The platform was established based on the integration of TCMs knowledge base, chemome profiling, and high-content imaging. It mainly included:(1) selection of herbal drugs of target based on TCMs knowledge base;(2) chemome profiling of TCMs extract library by LC-MS;(3) cytological profiling of TCMs extract library by high-content cell-based imaging;(4) active compounds discovery by combining each mass signal and multi-parametric cell phenotypes;(5) construction of functional annotation map for predicting the potential mechanisms of lead compounds. In this stud TCMs with myocardial protection were applied as a case study, and validated for the feasibility and utility of the platform. Seven frequently used herbal drugs(Ginseng, etc.) were screened from 100,000 TCMs formulas for myocardial protection and subsequently prepared as a library of 700 extracts. By using TCMs-CFA platform, 81 lead compounds, including 10 novel bioactive ones, were quickly identified by correlating 8089mass signals with 170,100 cytological parameters from an extract library. The TCMs-CFA platform described a new evidence-led tool for the rapid discovery process by data mining strategies, which is valuable for novel lead compounds from TCMs. All computations are done through Python and are publicly available on GitHub.

关键词： Knowledge discovery Metabolomics High content screening Cell phenotype Ginseng Ginsenosides

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创新数字新闻理论以促进数字文明

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社会科学战线 2024年第6期 200-209,282页

作者：吴飞孙梦如浙江大学国际传播研究中心浙江杭州310058

数字新闻理论范式的创新可以围绕两条研究线索展开:一是从社会与理论背景出发,紧扣数字社会与数字文明两个核心概念,审视新闻理论创新与其背景的同构性;二是探索新闻学及新闻理论演变的内生逻辑。要不断丰富和发展数字新闻学的理论体系... 详细信息

数字新闻理论范式的创新可以围绕两条研究线索展开:一是从社会与理论背景出发,紧扣数字社会与数字文明两个核心概念,审视新闻理论创新与其背景的同构性;二是探索新闻学及新闻理论演变的内生逻辑。要不断丰富和发展数字新闻学的理论体系,研究数字文明的特点与规律、数字叙事方式、媒介融合实践、公众参与互动模式以及数字新闻领域伦理法规等问题,为建构数字文明提供理论支撑和实践指导。

关键词：数字新闻数字社会数字文明理论范式新闻理论创新

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Organic thin-film transistors and related devices in life and health monitoring

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Nano Research 2024年第2期17卷 426-444页

作者： Chenfang sun Tie Wang Tianjin Key Laboratory of Drug Targeting and Bioimaging Life and Health Intelligent Research InstituteTianjin University of TechnologyTianjin 300384China

The early determination of disease-related biomarkers can significantly improve the survival rate of patients.Thus,a series of explorations for new diagnosis technologies,such as optical and electrochemical methods,have been devoted to life and health monitoring.Organic thin-film transistor(OTFT),as a state-of-the-art nano-sensing technology,has attracted significant attention from construction to application owing to the merits of being label-free,low-cost,facial,and rapid detection with multi-parameter responses.Nevertheless,interference from non-specific adsorption is inevitable in complex biological samples such as body liquid and exhaled gas,so the reliability and accuracy of the biosensor need to be further improved while ensuring sensitivity,selectivity,and stability.Herein,we overviewed the composition,mechanism,and construction strategies of OTFTs for the practical determination of disease-related biomarkers in both body fluids and exhaled gas.The results show that the realization of bio-inspired applications will come true with the rapid development of high-effective OTFTs and related devices.

关键词： organic thin-film transistors biosensors biomarkers organic bioelectronics organic semiconductors healthcare

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Pretreating and normalizing metabolomics data for statistical analysis

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Genes & Diseases 2024年第3期11卷 188-205页

作者： Jun sun Yinglin Xia Division of Gastroenterology and Hepatology Department of MedicineDepartment of Microbiology/ImmunologyUIC Cancer CenterUniversity of Illinois ChicagoJesse Brown VA Medical Center Chicago(537)ChicagoIL 60612USA Division of Gastroenterology and Hepatology Department of MedicineUniversity of Illinois ChicagoChicagoIL 60612USA

Metabolomics as a research field and a set of techniques is to study the entire small molecules in biological samples.Metabolomics is emerging as a powerful tool generally for pre-cision medicine.Particularly,integration of microbiome and metabolome has revealed the mechanism and functionality of microbiome in human health and disease.However,metabo-lomics data are very complicated.Preprocessing/pretreating and normalizing procedures on metabolomics data are usually required before statistical analysis.In this review article,we comprehensively review various methods that are used to preprocess and pretreat metabolo-mics data,including MS-based data and NMR-based data preprocessing,dealing with zero and/or missing values and detecting outliers,data normalization,data centering and scaling,data transformation.We discuss the advantages and limitations of each method.The choice for a suitable preprocessing method is determined by the biological hypothesis,the characteristics of the data set,and the selected statistical data analysis method.We then provide the perspective of their applications in the microbiome and metabolome research.

关键词： Data centering and scaling Data normalization Data transformation Missing values MS-Baseddata preprocessing NMRData preprocessing Outliers Preprocessing/pretreatment

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Fossil Equidae in the Linxia Basin with Biostratigraphic and Paleozoogeographic Significance

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Acta Geologica Sinica(English Edition) 2024年第1期98卷 1-9页

作者： sun Boyang Key Laboratory of Vertebrate Evolution and Human Origins of the Chinese Academy of Sciences Institute of Vertebrate Paleontology and PaleoanthropologyChinese Academy of SciencesBeijing 100044China

The Linxia Basin is characterized by an abundance of Cenozoic sediments,that contain exceptionally rich fossil resources.Equids are abundant in the Linxia Basin,the fossil record of equids in this region including 16 species that represent 10 genera.In comparison to other classic late Cenozoic areas in China,the Linxia Basin stands out,because the fauna and chronological data accompanying Linxia equids render them remarkably useful for biostratigraphy.The anchitheriines in the region,such as Anchitherium and Sinohippus,represent early equids that appeared in the late stages of the middle and late Miocene,respectively.Among the equines,most species of Chinese hipparions have been identified in the Linxia Basin and some species of the genera Hipparion and Hippotherium have FAD records for China.Furthermore,Equus eisenmannae is one of the earliest known species of Equus in the Old World and is well-represented at the Longdan locality.Some species with precise geohistorical distributions can serve as standards for high-resolution chronological units within this framework.Located at the eastern margin of the Tibetan Plateau and subject to considerable uplift,the Linxia Basin has served as a biogeographic transition area for equids throughout the late Cenozoic.

关键词： Equidae Cenozoic biostratigraphy paleozoogeography Linxia Basin

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NADPH oxidase 4(NOX4)as a biomarker and therapeutic target in neurodegenerative diseases

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Neural Regeneration Research 2024年第9期19卷 1961-1966页

作者： Napissara Boonpraman sun Shin Yi BK21 four Program Department of Medical SciencesSoonchunhyang UniversityAsanSouth Korea Department of Biomedical Laboratory Science Soonchunhyang UniversityAsanSouth Korea iConnectome Co.Ltd.CheonanSouth Korea

Diseases like Alzheimer’s and Parkinson’s diseases are defined by inflammation and the damage neurons undergo due to oxidative stress. A primary reactive oxygen species contributor in the central nervous system, NADPH oxidase 4, is viewed as a potential therapeutic touchstone and indicative marker for these ailments. This in-depth review brings to light distinct features of NADPH oxidase 4, responsible for generating superoxide and hydrogen peroxide, emphasizing its pivotal role in activating glial cells, inciting inflammation, and disturbing neuronal functions. Significantly, malfunctioning astrocytes, forming the majority in the central nervous system, play a part in advancing neurodegenerative diseases, due to their reactive oxygen species and inflammatory factor secretion. Our study reveals that aiming at NADPH oxidase 4 within astrocytes could be a viable treatment pathway to reduce oxidative damage and halt neurodegenerative processes. Adjusting NADPH oxidase 4 activity might influence the neuroinflammatory cytokine levels, including myeloperoxidase and osteopontin, offering better prospects for conditions like Alzheimer’s disease and Parkinson’s disease. This review sheds light on the role of NADPH oxidase 4 in neural degeneration, emphasizing its drug target potential, and paving the path for novel treatment approaches to combat these severe conditions.

关键词： Alzheimer’s disease astrocytes mitochondrial dysfunction myeloperoxidase NADPH oxidase 4 NADPH oxidase 4 inhibitors neurodegenerative diseases osteopontin Parkinson’s disease reactive oxygen species

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