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Monohalogenated acetamide-induced cellular stress and genotoxicity are related to electrophilic softness and thiol/thiolate reactivity

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Journal of Environmental Sciences 2017年第8期29卷 224-230页

作者： Justin A.Pals Elizabeth D.Wagner Michael J.Plewa menghang xia Matias S.Attene-Ramos Department of Crop Sciences University of Illinois at Urbana-Champaign Urbana IL United States Department of Environmental and Occupational Health Milken Institute School of Public Health George Washington University Washington DC United States Safe Global Water Institute University of Illinois at Urbana-Champaign Urbana IL United States National Center for Advancing Translational Sciences National Institutes of Health (NIH) Department of Health and Human Services (DHHS) Bethesda MD United States

Haloacetamides（HAMs） are cytotoxic, genotoxic, and mutagenic byproducts of drinking water disinfection. They are soft electrophilic compounds that form covalent bonds with the free thiol/thiolate in cysteine residues through an S_N2 reaction *** of the monohalogenated HAMs（iodoacetamide, IAM; bromoacetamide, BAM;or chloroacetamide, CAM） varied depending on the halogen substituent. The aim of this research was to investigate how the halogen atom affects the reactivity and toxicological properties of HAMs, measured as induction of oxidative/electrophilic stress response and genotoxicity. Additionally, we wanted to determine how well in silico estimates of electrophilic softness matched thiol/thiolate reactivity and in vitro toxicological *** of the HAMs significantly induced nuclear Rad51 accumulation and ARE signaling activity compared to a negative control. The rank order of effect was IAM 〉 BAM 〉 CAM for Rad51, and BAM ≈ IAM 〉 CAM for ARE. In general, electrophilic softness and in chemico thiol/thiolate reactivity provided a qualitative indicator of toxicity, as the softer electrophiles IAM and BAM were more thiol/thiolate reactive and were more toxic than CAM.

关键词： Drinking water disinfection byproducts Haloacetamide Toxicity Soft electrophile Oxidative stress DNA damage

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US Tox21 Program:application of qHTS approach for assessment of mitochondrial toxicity

US Tox21 Program:application of qHTS approach for assessment...

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2014线粒体毒性与基于毒性通路的安全性评价新策略学术研讨会暨中国毒理学会毒理学替代法与转化毒理学专业委员会成立大会

作者： menghang xia Division of Preclinical Innovation National Center for Advancing Translational SciencesNational Institutes of Health

To meet the needs of toxicity testing in the 21st century,the National Toxicology Program(NTP),the NIH Chemical Genomics Center(NCGC,now is part of the National Center for Advancing Translational Sciences,NCATS),the *...

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High-throughput screening of novel TFEB agonists in protecting against acetaminopheninduced liver injury in mice

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Acta Pharmaceutica Sinica B 2024年第1期14卷 190-206页

作者： xiaojuan Chao Mengwei Niu Shaogui Wang xiaowen Ma xiao Yang Hua Sun Xujia Hu Hua Wang Li Zhang Ruili Huang menghang xia Andrea Ballabio Hartmut Jaeschke Hong-Min Ni Wen-Xing Ding Department of Pharmacology Toxicology and TherapeuticsUniversity of Kansas Medical CenterKansas CityKS 66160USA NMPA Key Laboratory for Research and Evaluation of Drug Metabolism&Guangdong Provincial Key Laboratory of New Drug Screening School of Pharmaceutical SciencesSouthern Medical UniversityGuangzhou 510515China Department of Oncology the First Affiliated Hospital of Anhui Medical UniversityAnhui Medical UniversityHefei 230032China National Center for Advancing Translational Sciences National Institutes of HealthBethesdaMD 20892USA Telethon Institute of Genetics and Medicine TIGEMPozzuoliNaples 80131Italy Medical Genetics Department of Translational MedicineFederico II UniversityNaples 80131Italy Department of Molecular and Human Genetics Baylor College of MedicineHoustonTX 77030USA Department of Internal Medicine Division of GastroenterologyHepatology&MotilityUniversity of Kansas Medical CenterKansas CityKS 66160USA

Macroautophagy(referred to as autophagy hereafter)is a major intracellular lysosomal degradation pathway that is responsible for the degradation of misfolded/damaged proteins and *** studies showed that autophagy protects against acetaminophen(APAP)-induced injury(AILI)via selective removal of damaged mitochondria and APAP protein *** lysosome is a critical organelle sitting at the end stage of autophagy for autophagic degradation via fusion with *** the present study,we showed that transcription factor EB(TFEB),a master transcription factor for lysosomal biogenesis,was impaired by APAP resulting in decreased lysosomal biogenesis in mouse *** loss-of and gain-of function of hepatic TFEB exacerbated or protected against AILI,***,overexpression of TFEB increased clearance of APAP protein adducts and mitochondria biogenesis as well as SQSTM1/p62-dependent non-canonical nuclear factor erythroid 2-related factor 2(NRF2)activation to protect against *** also performed an unbiased cell-based imaging high-throughput chemical screening on TFEB and identified a group of TFEB *** these agonists,salinomycin,an anticoccidial and antibacterial agent,activated TFEB and protected against AILI in *** conclusion,genetic and pharmacological activating TFEB may be a promising approach for protecting against AILI.

关键词： Autophagy DILI Drug screening Hepatotoxicity Lysosome Mitochondria Mitophagy NRF2

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An Integrated Systems Biology Approach Identifies ZIKV and DENV Replication

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Genomics, Proteomics & Bioinformatics 2021年第1期19卷 108-122页

作者： Guang Song Emily M.Lee Jianbo Pan Miao Xu Hee-Sool Rho Yichen Cheng Nadia Whitt Shu Yang Jennifer Kouznetsova Carleen Klumpp-Thomas Samuel G.Michael Cedric Moore Ki-Jun Yoon Kimberly M.Christian Anton Simeonov Wenwei Huang menghang xia Ruili Huang Madhu Lal-Nag Hengli Tang Wei Zheng Jiang Qian Hongjun Song Guo-li Ming Heng Zhu Department of Pharmacology&Molecular Sciences Johns Hopkins School of MedicineBaltimoreMD 21205USA Department of Biological Science Florida State UniversityTallahasseeFL 32306USA Department of Ophthalmology Johns Hopkins School of MedicineBaltimoreMD 21205USA National Center for Advancing Translational Sciences National Institutes of HealthBethesdaMD 20892USA Sir Run Run Shaw Hospital Zhejiang University School of MedicineHangzhou 310016China Institute for Cell Engineering Johns Hopkins University School of MedicineBaltimoreMD 21205USA Department of Neuroscience and Mahoney Institute for Neurosciences Perelman School for MedicineUniversity of PennsylvaniaPhiladelphiaPA 19104USA Department of Cell and Developmental Biology Perelman School for MedicineUniversity of PennsylvaniaPhiladelphiaPA 19104USA Institute for Regenerative Medicine Perelman School for MedicineUniversity of PennsylvaniaPhiladelphiaPA 19104USA The Epigenetics Institute Perelman School for MedicineUniversity of PennsylvaniaPhiladelphiaPA 19104USA

The Zika virus(ZIKV)and dengue virus(DENV)flaviviruses exhibit similar replicative processes but have distinct clinical outcomes.A systematic understanding of virus–host protein–protein interaction networks can reveal cellular pathways critical to viral replication and disease *** we employed three independent systems biology approaches toward this ***,protein array analysis of direct interactions between individual ZIKV/DENV viral proteins and20,240 human proteins revealed multiple conserved cellular pathways and protein complexes,including proteasome ***,an RNAi screen of 10,415 druggable genes identified the host proteins required for ZIKV infection and uncovered that proteasome proteins were crucial in this ***,high-throughput screening of 6016 bioactive compounds for ZIKV inhibition yielded 134 effective compounds,including six proteasome inhibitors that suppress both ZIKV and DENV *** analyses of these orthogonal datasets pinpoint proteasomes as critical host machinery for ZIKV/DENV *** study provides multi-omics datasets for further studies of flavivirus–host interactions,disease pathogenesis,and new drug targets.

关键词： Protein–protein interaction RNAi screening Chemical genetics screening Multi-omics

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基于logistic-Nomogram构建门诊急救急性肺损伤患者预后预测模型

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广西医科大学学报 2023年第10期40卷 1728-1734页

作者：李宏夏梦航航空总医院长空门诊部北京100124

目的:基于logistic-Nomogram构建门诊急救急性肺损伤(ALI)患者预后预测模型。方法:选取2022年3月至2023年1月航空总医院门诊部收治的308例ALI患者。分析ALI患者入院28 d预后情况,比较不同预后患者的临床资料,通过logistic分析筛查出的... 详细信息

目的:基于logistic-Nomogram构建门诊急救急性肺损伤(ALI)患者预后预测模型。方法:选取2022年3月至2023年1月航空总医院门诊部收治的308例ALI患者。分析ALI患者入院28 d预后情况,比较不同预后患者的临床资料,通过logistic分析筛查出的预测因素与预后不良的关联性,根据预测因素构建预后不良Nomogram预测模型,并对Nomogram预测模型进行外部验证。结果:死亡组年龄、呼气末正压、肺血管阻力指数(PVRI)、急性生理学与慢性健康状况评分系统Ⅱ(APACHEⅡ)评分,血浆高迁移率族蛋白B1(HMGB1)、单核细胞趋化蛋白-1(MCP-1)、溶性髓系细胞表达的触发受体-1(sTREM-1)水平,血清miR-300、miR-221表达水平及葡萄糖调节蛋白78(GRP78)、趋化因子受体4(CXCR4)、粒细胞集落刺激因子(G-CSF)水平均高于存活组,平均动脉压低于存活组(均P<0.05)。年龄、PVRI、APACHEⅡ评分,血浆HMGB1、sTREM-1、MCP-1,血清miR-300、miR-221表达水平及GRP78、CXCR4、G-CSF水平均为ALI患者预后不良的独立危险因素(均P<0.05),基于以上因素构建ALI患者预后不良的Nomogram预测模型,受试者工作特征(ROC)曲线下面积(AUC)为0.947,灵敏度、特异度分别为91.45%、86.53%;校准曲线显示该预测模型预测结果与实际观测结果一致性较好。结论:基于年龄、APACHEⅡ评分、HMGB1、sTREM-1、MCP-1、miR-300、miR-221、PVRI、GRP78、CXCR4、G-CSF因素构建的预测模型对于ALI具有良好的预测效能。

关键词： Nomogram 门诊急救急性肺损伤预后不良预测模型

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Corrigendum to“An Integrated Systems Biology Approach Identifies the Proteasome as A Critical Host Machinery for ZIKV and DENV Replication"[Genomics Proteomics Bioinformatics 19(1)(2021)108-122]

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Genomics, Proteomics & Bioinformatics 2022年第4期20卷 808-809页

作者： Song, Guang Lee, Emily M. Pan, Jianbo Xu, Miao Rho, Hee-Sool Cheng, Yichen Whitt, Nadia Yang, Shu Kouznetsova, Jennifer Klumpp-Thomas, Carleen Michael, Samuel G. Moore, Cedric Yoon, Ki-Jun Christian, Kimberly M. Simeonov, Anton Huang, Wenwei xia, menghang Huang, Ruili Lal-Nag, Madhu Tang, Hengli Zheng, Wei Qian, Jiang Song, Hongjun Ming, Guo-li Zhu, Heng Department of Pharmacology & Molecular Sciences Johns Hopkins School of Medicine Baltimore MD 21205 USA Department of Biological Science Florida State University Tallahassee FL 32306 USA Department of Ophthalmology Johns Hopkins School of Medicine Baltimore MD 21205 USA National Center for Advancing Translational Sciences National Institutes of Health Bethesda MD 20892 USA Sir Run Run Shaw Hospital Zhejiang University School of Medicine Hangzhou 310016 China Institute for Cell Engineering Johns Hopkins University School of Medicine Baltimore MD 21205 USA Department of Neuroscience and Mahoney Institute for Neurosciences Perelman School for Medicine University of Pennsylvania Philadelphia PA 19104 USA Department of Cell and Developmental Biology Perelman School for Medicine University of Pennsylvania Philadelphia PA 19104 USA Institute for Regenerative Medicine Perelman School for Medicine University of Pennsylvania Philadelphia PA 19104 USA The Epigenetics Institute Perelman School for Medicine University of Pennsylvania Philadelphia PA 19104 USA

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Potential dependence in electrocatalysis: a theoretical perspective

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Science China Chemistry 2025年第1期68卷 21-25页

作者： Leyu Liu Zhaoming xia Zeyu Wang Yinjuan Chen Hai xiao Department of Chemistry Tsinghua University Fundamental Science Center of Rare Earths Ganjiang Innovation Academy Chinese Academy of Sciences Key Laboratory of Advanced Catalytic Materials and Technology Advanced Catalysis and Green Manufacturing Collaborative Innovation Center Changzhou University

Electrocatalysis is a key technology for the new energy era and sustainable development, serving as the interface for interconversion of electrical and chemical energies, which spans a wide spectrum of applications in sustainable energy and environmental engineering. Electrocatalytic reactions including electrochemical CO2reduction reaction （eCO2RR）, hydrogen evolution reaction （HER）, and oxygen evolution/reduction reactions （OER/ORR）, hold essential promise for renewable energy technologies as well as complement the biogeochemical carbon and oxygen cycles.

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Inexact proximal gradient algorithm with random reshuffling for nonsmooth optimization

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Science China(Information Sciences) 2025年第1期68卷 219-237页

作者： xia JIANG Yanyan FANG xianlin ZENG Jian SUN Jie CHEN National Key Lab of Autonomous Intelligent Unmanned Systems School of AutomationBeijing Institute of Technology Beijing Institute of Technology Chongqing Innovation Center School of Electronic and Information Engineering Tongji University

Proximal gradient algorithms are popularly implemented to achieve convex optimization with nonsmooth regularization. Obtaining the exact solution of the proximal operator for nonsmooth regularization is challenging because errors exist in the computation of the gradient; consequently, the design and application of inexact proximal gradient algorithms have attracted considerable attention from researchers. This paper proposes computationally efficient basic and inexact proximal gradient descent algorithms with random reshuffling. The proposed stochastic algorithms take randomly reshuffled data to perform successive gradient descents and implement only one proximal operator after all data pass through. We prove the convergence results of the proposed proximal gradient algorithms under the sampling-without-replacement reshuffling *** computational errors exist in gradients and proximal operations, the proposed inexact proximal gradient algorithms can converge to an optimal solution neighborhood. Finally, we apply the proposed algorithms to compressed sensing and compare their efficiency with some popular algorithms.

关键词： proximal operator random reshuffling inexact computation compressed sensing nonsmooth optimization

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Intermolecular reductive coupling of aliphatic ketones with alkynes and alkenes by BCN photocatalysts

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Science China Chemistry 2025年第1期68卷 181-185页

作者： Yanping xia Luyang Sun Jiajia Cheng Sibo Wang Meifang Zheng Xinchen Wang State Key Laboratory of Photocatalysis on Energy and Environment College of Chemistry Fuzhou University

A photocatalytic process was developed for intermolecular reductive coupling of aliphatic ketones with alkynes/alkenes to furnish tertiary alcohols. Mechanistic studies support that boron carbonitrides(BCN) promote the single electron reduction of unactivated aliphatic ketones to generate ketyl radicals with visible light irradiation, which then react with alkynes and alkenes to afford the allylic and aliphatic alcohols, respectively. The heterogeneous photocatalytic system is compatible with diverse substrates including pharmaceutical-related molecules(43 examples) with reusability and scale-up experiments, verifying the complementary synthetic utility of this method to the homogeneous catalysts.

关键词： aliphatic ketones ketyl radical intermolecular cross-coupling tertiary alcohols

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Prospects on mangrove knowledge services in the smart era: From plant atlas to knowledge graphs

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Science China Earth Sciences 2025年第1期68卷 111-127页

作者： Zhi-Wei HOU Wenlong JING Cheng-Zhi QIN Ji YANG Qing xia xiaoling YIN Key Laboratory of Guangdong for Utilization of Remote Sensing and Geographical Information System Guangdong Open Laboratory of Geospatial Information Technology and Application Guangzhou Institute of Geography Guangdong Academy of Sciences Southern Marine Science and Engineering Guangdong Laboratory (Guangzhou) State Key Laboratory of Resources and Environmental Information System Institute of Geographic Sciences and Natural Resources ResearchChinese Academy of Sciences College of Resources and Environment University of Chinese Academy of Sciences School of Traffic & Transportation Engineering Changsha University of Science and Technology

Mangroves are crucial to the ecological security of the Earth and human well-being. Their management, conservation, and restoration are of great importance and necessitate the support of spatio-temporal information and multidisciplinary knowledge such as biology and ecology. Traditional knowledge services such as plant atlas provide illustrated textual knowledge of mangroves. However, this kind of service is oriented to information retrieval and is incapable of effectively mining and utilizing fragmented knowledge from multi-source heterogeneous data, facing the problem of “massive data, rare knowledge”. Knowledge graphs are capable of extracting, organizing, and fusing the knowledge contained in massive data into semantic networks that can be understood and computed by computers. They provide a solution for the realization of intelligent knowledge services. Focusing on the urgent need for mangrove knowledge acquisition, formal representation, and intelligent services, this paper proposes a research prospect on mangrove knowledge graphs and knowledge services. We first analyze the similarities and differences between various domain-specific concepts of Tupu. On this basis, we define the mangrove knowledge graph as a large-scale knowledge base that integrates multi-disciplinary knowledge and spatio-temporal information with mangrove ecosystems as the core. Then, we propose a research framework for mangrove knowledge services that can realize the transformation from multi-modal data to intelligent knowledge services, including multiple research levels such as ubiquitous data sensing and aggregation, knowledge organization and graph construction, and intelligent mangrove knowledge services. Subsequently, the methods and workflow for constructing mangrove knowledge graphs are introduced. Finally, we discuss the challenges and possible future directions of mangrove knowledge services in the smart era, including the construction of a mangrove knowledge system that integra

关键词： Mangrove Tupu Knowledge graph Multi-modal Knowledge service

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