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Structure-based development of potent and selective type-II kinase inhibitors of RIPK1

Acta Pharmaceutica Sinica B 2024年第1期14卷 319-334页

作者： Ying qin Dekang Li Chunting qi Huaijiang Xiang Huyan Meng Jingli liu Shaoqing Zhou xinyu Gong Ying Li Guifang Xu Rui Zu Hang Xie Yechun Xu Gang Xu Zheng Zhang Shi Chen Lifeng Pan Ying Li Li Tan Interdisciplinary Research Center on Biology and Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 201210China University of Chinese Academy of Sciences Beijing 100049China State Key Laboratory of Chemical Biology Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China School of Chinese Materia Medica Nanjing University of Chinese MedicineNanjing 210023China State Key Laboratory of Drug Research Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China Institute of Hepatology National Clinical Research Center for Infectious DiseaseShenzhen Third People’s Hospitalthe Second Affiliated HospitalSchool of MedicineSouthern University of Science and TechnologyShenzhen 518112China Department of Burn and Plastic Surgery Shenzhen Institute of Translational MedicineShenzhen University Medical SchoolShenzhen Second People’s Hospitalthe First Affiliated Hospital of Shenzhen UniversityShenzhen 518035China

Receptor-interacting serine/threonine-protein kinase 1(RIPK1)functions as a key regulator in inflammation and cell death and is involved in mediating a variety of inflammatory or degenerative diseases.A number of allosteric RIPK1 inhibitors(RIPK1i)have been developed,and some of them have already advanced into clinical ***,selective RIPK1i that interact with both the allosteric pocket and the ATP-binding site of RIPK1 have started to ***,we report the rational development of a new series of type-II RIPK1i based on the rediscovery of a reported but mechanistically atypical *** also describe the structure-guided lead optimization of a potent,selective,and orally bioavailable RIPK1i,62,which exhibits extraordinary efficacies in mouse models of acute or chronic inflammatory ***,62 provides a useful tool for evaluating RIPK1 in animal disease models and a promising lead for further drug development.

关键词： RIPK1 Necroptosis Type-II kinase inhibitors Rational design Lead optimization Structure‒activity relationship Anti-inflammation Preclinical drug discovery

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Effects of axylitol-casein complex on insulin resistance and gut microbiota composition in high-fat-diet+streptozotocin-induced type 2 diabetes mellitus mice

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Food Science and Human Wellness 2024年第5期13卷 2741-2753页

作者： Fanhua Kong Juan Zhang Shimo Kang xinyu Shen Aicheng liu Yan Zheng Junhua Shao Xiqing Yue College of Food Science Shenyang Agriculture UniversityShenyang 110866China

This study investigated the effects of a xylitol-casein non-covalent complex(XC)on parameters related to type 2 diabetes mellitus(T2DM),in addition to related changes in gut microbiome composition and ***-fat-diet(HFD)+streptozotocin(STZ)-induced T2DM mice were treated with xylitol(XY),casein(CN),and XC,after which fecal samples were collected for gut microbiota composition and diversity analyses based on 16S rRNA high-throughput sequencing and multivariate *** decreased body weight and improved glucose tolerance,insulin sensitivity,pancreas impairment,blood lipid levels,and liver function in T2DM mice compared to XY-and CN-treated ***,XC modulated theα-diversity,β-diversity and gut microbiota *** on Spearman’s correlation analysis,the relative abundances of Alistipes,Bacteroides,and Faecalibaculum were positively correlated and those of Akkermansia,Lactobacillus,Bifidobacterium,and Turicibacter were negatively correlated with the phenotypes related to the improvement of *** conclusion,we found that XC alleviated insulin resistance by restoring the gut microbiota of T2DM *** results provide strong evidence for the beneficial effects of XC on T2DM and motivation for further investigation in animal models and,eventually,human trials.

关键词： Xylitol-casein complex Type 2 diabetes mellitus Insulin resistance Gut microbiota

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Dynamic emission characteristics and control strategies of air pollutants from motor vehicles in downtown Beijing,China

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Journal of Environmental Sciences 2024年第2期136卷 637-646页

作者： Yan Shen Tongran Wu Aiping Lian Jie Gao Fei Peng Guohua Song Xuefang Wu yangyang Cui xinyu liu Yunfei Wan Jing Yan Yifeng Xue National Engineering Research Center of Urban Environmental Pollution Control Beijing Municipal Research Institute of Eco-Environmental ProtectionBeijing 100037China Beijing Municipal Ecology and Environment Bureau Beijing 100048China Beijing Jiaotong University Beijing 100091China

This study combined the real-time monitoring and investigation of traffic flows to comprehensively analyze the road traffic flow and vehicle structure in downtown Beijing.A dynamic emission inventory of motor vehicle air pollutants in downtown Beijing in 2021 was established,and the impact of these emissions on air quality was simulated and quantified,and different emission reduction control scenarios were proposed to evaluate their environmental improvement effects and explore measures to mitigate the impact of pollution *** results show that the high traffic flow and the structure of the motor vehicle emissions in downtown Beijing are the main causes of severe motor vehicle *** data shows that traffic flow in central Beijing is dominated by small passenger vehicles,while the vehicle mix is better than in other regions,with 72.0%of vehicles meeting"National V"or higher emission ***,to achieve higher air quality goals,further reducing vehicle emissions is *** on dynamic traffic flow,the average daily emissions of nitrogen oxides(NOX),particulate matters(PM_(2.5))and volatile organic compounds(VOC)from motor vehicles in central Beijing are 17.7 tons,0.6 tons and 14.0 tons,respectively,accounting for 23.0%of the city’s average daily motor vehicle *** a zero-emission zone for motor vehicles were implemented in central Beijing,the annual average emission level of pollutants will be reduced by 10.4%to 21.0%.The designation of ultra-low emission zones for motor vehicles could be effective in improving the air quality in the center of Beijing.

关键词： Motor vehicle Air pollutant Emission characteristics Control strategy Beijing

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Modularized viromimetic polymer nanoparticle vaccines(VPNVaxs) to elicit durable and effective humoral immune responses

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National Science Review 2024年第03期11卷 200-214页

作者： Zichao Huang xinyu Zhuang Liping liu Jiayu Zhao Sheng Ma Xinghui Si Zhenyi Zhu Fan Wu Ningyi Jin Mingyao Tian Wantong Song Xuesi Chen Key Laboratory of Polymer Ecomaterials Changchun Institute of Applied ChemistryChinese Academy of Sciences School of Applied Chemistry and Engineering University of Science and Technology of China Changchun Veterinary Research Institute Chinese Academy of Agricultural Sciences Jilin Biomedical Polymers Engineering Laboratory State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied Chemistry Chinese Academy of Sciences

Virus-like particle(VLP) vaccines had shown great potential during the COVID-19 pandemic, and was thought to be the next generation of antiviral vaccine technology due to viromimetic structures. However,the time-consuming and complicated processes in establishing a current recombinant-protein–based VLP vaccine has limited its quick launch to the out-bursting pandemic. To simplify and optimize VLP vaccine design, we herein report a kind of viromimetic polymer nanoparticle vaccine(VPNVax), with subunit receptor-binding domain(RBD) proteins conjugated to the surface of polyethylene glycol-b-polylactic acid(PEG-b-PLA) nanoparticles for vaccination against SARS-CoV-2. The preparation of VPNVax based on synthetic polymer particle and chemical post-conjugation makes it possible to rapidly replace the antigens and construct matched vaccines at the emergence of different viruses. Using this modular preparation system, we identified that VPNVax with surface protein coverage of 20%–25% had the best immunostimulatory activity, which could keep high levels of specific antibody titers over 5 months and induce virus neutralizing activity when combined with an aluminum adjuvant. Moreover, the polymer nano-vectors could be armed with more immune-adjuvant functions by loading immunostimulant agents or chemical chirality design. This VPNVax platform provides a novel kind of rapidly producing and efficient vaccine against different variants of SARS-CoV-2 as well as other viral pandemics.

关键词： vaccine polymer nanomaterials SARS-CoV-2

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Distinguished biological adaptation architecture aggravated population differentiation of Tibeto-Burman-speaking people

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Journal of Genetics and Genomics 2024年第5期51卷 517-530页

作者： Yuntao Sun Mengge Wang qiuxia Sun Yan liu Shuhan Duan Zhiyong Wang Yunyu Zhou Jun Zhong Yuguo Huang xinyu Huang qingxin yang Xiangping Li Haoran Su Yan Cai Xiucheng Jiang Jing Chen Jiangwei Yan Shengjie Nie Liping Hu Junbao yang Renkuan Tang Chuan-Chao Wang Chao liu Xiaohui Deng Libing Yun Guanglin He West China School of Basic Science&Forensic Medicine Sichuan UniversityChengduSichuan 610041China Institute of Rare Diseases West China Hospital of Sichuan UniversitySichuan UniversityChengduSichuan 610000China Center for Archaeological Science Sichuan UniversityChengduSichuan 610000China Faculty of Forensic Medicine Zhongshan School of MedicineSun Yat-sen UniversityGuangzhouGuangdong 510275China Guangzhou Forensic Science Institute GuangzhouGuangdong 510055China Department of Forensic Medicine College of Basic MedicineChongqing Medical UniversityChongqing 400331China School of Clinical Medical Sciences North Sichuan Medical CollegeNanchongSichuan 637100China School of Basic Medical Sciences North Sichuan Medical CollegeNanchongSichuan 637100China School of Forensic Medicine Kunming Medical UniversityKunmingYunnan 650500China School of Stomatology North Sichuan Medical CollegeNanchongSichuan 637100China Department of Medical Laboratory North Sichuan Medical CollegeNanchongSichuan 637007China School of Life Sciences Xiamen UniversityXiamenFujian 361005China Anti-Drug Technology Center of Guangdong Province GuangzhouGuangdong 510230China School of Forensic Medicine Shanxi Medical UniversityJinzhongShanxi030600China

Tibeto-Burman(TB)people have endeavored to adapt to the hypoxic,cold,and high-UV high-altitude environments in the Tibetan Plateau and complex disease exposures in lowland rainforests since the late Paleolithic ***,the full landscape of genetic history and biological adaptation of geographically diverse TB-speaking people,as well as their interaction mechanism,remain ***,we generate a whole-genome meta-database of 500 individuals from 39 TB-speaking populations and present a comprehensive landscape of genetic diversity,admixture history,and differentiated adaptative features of geographically different TB-speaking *** identify genetic differentiation related to geography and language among TB-speaking people,consistent with their differentiated admixture process with incoming or indigenous ancestral source populations.A robust genetic connection between the Tibetan-Yi corridor and the ancient Yellow River people supports their Northern China origin *** finally report substructure-related differentiated biological adaptative signatures between highland Tibetans and Loloish *** signatures associated with the physical pigmentation(EDAR and SLC24A5)and metabolism(ALDH9A1)are identified in Loloish people,which differed from the high-altitude adaptative genetic architecture in ***-related genomic resources provide new insights into the genetic basis of biological adaptation and better reference for the anthropologically informed sampling design in biomedical and genomic cohort research.

关键词： Tibeto-Burman people Genetic profile Natural selection Genetic diversity Biological adaptation

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Ballistic performance of additive manufacturing 316l stainless steel projectiles based on topology optimization method

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Defence Technology（防务技术） 2024年第5期35卷 1-17页

作者： Hao Xue Tao Wang xinyu Cui Yifan Wang Guangyan Huang State Key Laboratory of Explosion Science and Technology Beijing Institute of TechnologyBeijing 100081China

Material and structure made by additive manufacturing(AM)have received much attention lately due to their flexibility and ability to customize complex *** study first implements multiple objective topology optimization simulations based on a projectile perforation model,and a new topologic projectile is *** two types of 316L stainless steel projectiles(the solid and the topology)are printed in a selective laser melt(SLM)machine to evaluate the penetration performance of the projectiles by the ballistic *** experiment results show that the dimensionless specific kinetic energy value of topologic projectiles is higher than that of solid projectiles,indicating the better penetration ability of the topologic ***,microscopic studies(scanning electron microscope and X-ray micro-CT)are performed on the remaining projectiles to investigate the failure mechanism of the internal structure of the topologic *** explicit dynamics simulation was also performed,and the failure locations of the residual topologic projectiles were in good agreement with the experimental results,which can better guide the design of new projectiles combining AM and topology optimization in the future.

关键词： Additive manufacturing Topology optimization Ballistic performance Projectile design

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Multi-genome evolutionary study of the ABC1 gene family and identification of the pleiotropic effects of OsABC1-13 in rice development

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The Crop Journal 2024年第4期12卷 1022-1030页

作者： Fuying Ma Mingyu liu Peiwen Yan Shicong He Jian Hu Xinwei Zhang Fuan Niu Jinhao Cui xinyu Yuan Xiaoyun Xin Liming Cao Jinshui yang Ying Wang Xiaojin Luo State Key Laboratory of Genetic Engineering and Engineering Research Center of Gene Technology(Ministry of Education) School of Life SciencesFudan UniversityShanghai 200433China Ministry of Education Key Laboratory for Biodiversity Science and Ecological Engineering Department of Ecology and Evolutionary BiologySchool of Life SciencesFudan UniversityShanghai 200433China Institute of Crop Breeding and Cultivation Shanghai Academy of Agricultural SciencesShanghai 200241China Ministry of Education Key Laboratory of Crop PhysiologyEcology and Genetic Breeding College of AgronomyJiangxi Agricultural UniversityNanchang 330045JiangxiChina

In four rice genomes,85 ABC1-family genes were identified by comparative genomics,evolution,genetics,and ***,OsABC1-13,was shown by knockdown and knockout experiments to affect plant height,grain size,and photosynthet... 详细信息

关键词： Multi-genome analysis Activity of bc1 complex gene Photosynthesis Biomass Osabc1-13 Haplotype

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Elucidating solvent effects on the stability of phenoxyl radicals in monohydric alcohols via electron paramagnetic resonance

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Green Chemical Engineering 2024年第4期5卷 483-488页

作者： xinyu Wang Wenjing Sun Yongtao Wang Haoran Li Department of Chemistry Zhejiang University Center of Chemistry for Frontier Technologies ZJU-NHU United R&D Center Zhejiang University State Key Laboratory of Chemical Engineering College of Chemical and Biological Engineering Zhejiang University

Research on solvent effects is an important and long-standing topic, but there still is some room, especially for the special solvent effect of fluoroalcohols. In this work, we investigated the stability of phenoxyl radical in monohydric alcohol solvents through in-situ electron paramagnetic resonance detections. The decay behavior of phenoxyl radical showed a reasonable relationship with the mesoscopic structure of alcohols, characterized by smalland wide-angle X-ray scattering. Moreover, the distinct solvent effects of fluoroalcohols were emphasized, and the significant influence of van der Waals distance in the solvents was suggested. Overall, the stability of phenoxyl radical in alcohols was quantified and correlated with the solvent structures. We believe that the established method for stability study on radicals will encourage solvent effect studies on various organic reactions, and the proposed solvent effects in fluoroalcohols may inspire the development of green solvents in both industrial conversions and organic synthesis.

关键词： Solvent effect Fluoroalcohol Phenoxyl radical Stability Electron paramagnetic resonance

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Magnetic domain structures in ultrathin Bi_(2)Te_(3)/CrTe_(2) heterostructures

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Chinese Physics B 2024年第8期33卷 511-517页

作者：夏体瑞杨笑天张逸凡刘馨琪蔡新雨刘畅姚岐寇煦丰王文波 School of Physical Science and Technology ShanghaiTech UniversityShanghai 201210China School of Information Science and Technology ShanghaiTech UniversityShanghai 201210China ShanghaiTech Laboratory for Topological Physics ShanghaiTech UniversityShanghai 201210China Department of Materials Science Fudan UniversityShanghai 200438China

Chromium tellurium compounds are important two-dimensional van der Waals ferromagnetic materials with high Curie temperature and chemical stability in air,which is promising for applications in spintronic ***,highquality spin-orbital-torque(SOT)device,Bi_(2)Te_(3)/CrTe_(2)heterostructure was epitaxially grown on Al_(2)O_(3)(0001)*** Hall measurements indicate the existence of strong ferromagnetism in this device with the CrTe_(2)thickness down to 10 *** order to investigate its micromagnetic structure,cryogenic magnetic force microscope(MFM)was utilized to measure the magnetic domain evolutions at various temperatures and magnetic *** virgin domain state of the device shows a worm-like magnetic domain structure with the size around 0.6μm-0.8μ*** irregular-shape magnetic domains(>1μm)can be induced and pinned,after the field is increased to coercive field and ramped back to low *** temperature-dependent MFM signals exhibit a nice mean-field-like ferromagnetic transition with Curie temperature around 201.5 K,indicating a robust ferromagnetic *** a device can be potentially implemented in future magnetic memory technology.

关键词： CrTe_(2) magnetic domain magnetic force microscopy

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Fe/Co双金属材料活化过一硫酸盐氧化降解水中2,4-D

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农业环境科学学报 2024年第3期43卷 665-674页

作者：张荣罗新宇杨琦生态环境部土壤与农业农村生态环境监管技术中心北京100012 中国地质大学(北京)水资源与环境工程北京市重点实验室北京100083 中国地质大学(北京)地下水循环与环境演化教育部重点实验室北京100083

为了处理有机氯除草剂2,4-二氯苯氧乙酸(2,4-D)造成的环境污染,本研究采用液相还原法制备了铁钴双金属纳米颗粒(n-Fe/Co),并通过Fe、Co的合成比例优化了活化过一硫酸盐(PMS)体系对2,4-D的降解性能。结果表明:在pH为4.5的条件下,使用0.0... 详细信息

为了处理有机氯除草剂2,4-二氯苯氧乙酸(2,4-D)造成的环境污染,本研究采用液相还原法制备了铁钴双金属纳米颗粒(n-Fe/Co),并通过Fe、Co的合成比例优化了活化过一硫酸盐(PMS)体系对2,4-D的降解性能。结果表明:在pH为4.5的条件下,使用0.03 g·L^(-1)的n-Fe/Co和0.5 mmol·L^(-1)的PMS,2,4-D(10 mg·L^(-1))在30 min内完全去除,与单纯的纳米零价铁(nZVI)相比,2,4-D的去除率提升了60.9个百分点。n-Fe/Co可以在很宽的pH范围(2~9)和复杂的阴离子条件下有效去除2,4-D。自由基抑制实验表明羟基自由基是参与反应的主要活性物种(贡献率达到62.2%)。在中间产物分析的基础上,提出了2,4-D在n-Fe/Co-PMS体系中的降解机理和降解途径。研究表明,n-Fe/Co复合材料活化PMS系统在处理水中的2,4-D除草剂污染方面有很大的应用前景。

关键词： 2,4-二氯苯氧乙酸(2,4-D) 纳米零价铁双金属过一硫酸盐自由基

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