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| 1 | New frontiers for the materials genome initiative显示文摘The Materials Genome Initiative(MGI)advanced a new paradigm for materials discovery and design,namely that the pace of new materials deployment could be accelerated through complementary efforts in theory,computation,and experiment.Along with numerous successes,new challenges are inviting researchers to refocus the efforts and approaches that were originally inspired by the MGI.In May 2017,the National Science Foundation sponsored the workshop“Advancing and Accelerating Materials Innovation Through the Synergistic Interaction among Computation,Experiment,and Theory:Opening New Frontiers”to review accomplishments that emerged from investments in science and infrastructure under the MGI,identify scientific opportunities in this new environment,examine how to effectively utilize new materials innovation infrastructure,and discuss challenges in achieving accelerated materials research through the seamless integration of experiment,computation,and theory.This article summarizes key findings from the workshop and provides perspectives that aim to guide the direction of future materials research and its translation into societal impacts. | Juan J.de Pablo Nicholas E.Jackson Michael A.Webb Long-Qing Chen Joel E.Moore Dane Morgan Ryan Jacobs Tresa Pollock Darrell G.Schlom Eric S.Toberer James Analytis Ismaila Dabo Dean M.DeLongchamp Gregory A.Fiete Gregory M.Grason Geoffroy Hautier Yifei Mo Krishna Rajan Evan J.Reed Efrain Rodriguez Vladan Stevanovic Jin Suntivich Katsuyo Thornton Ji-Cheng Zhao | 2019 | npj Computational Materials2019,,1: | 7 |
| 2 | Discovery of a novel sodium taurocholate cotransporting polypeptide(NTCP) inhibitor: Design, synthesis, and anti-proliferative activities显示文摘Sodium taurocholate cotransporting polypeptide(NTCP)is identified as the functional receptor for HBV entry,which is responsible for upregulated HBV transcription in the HBV life cycle.Besides,NTCP is also implicated in the progression of HBV-induced hepatocellular carcinoma(HCC).Thereby,NTCP-targeting entry inhibitors are proposed to suppress HBV infection and replication in HBV-induced hepatoma therapy.Herein,we integrated in silico screening and chemical synthesis to obtain a small-molecule NTCP inhibitor B7,which exhibited moderate anti-proliferative activities against HepG2 cells and anti-HBV activity in vitro.Additionally,CETSA assay,molecular docking,and MD simulation validated that B7 could bind to NTCP.Furthermore,western blot analysis demonstrated that B7 induced apoptosis with an increased expression of Bax and caspase 3 cleaving as well as a decreasing expression of Bcl-2 in HepG2 cells.Taken together,our study identified B7 as a novel NTCP inhibitor with anti-proliferation activities which might provide a new opportunity for HCC therapy. | Honggang Xiang Yanmei Chen Jifa Zhang jin Zhang Dabo Pan Bo Liu Liang Ouyang | 2020 | Chinese Chemical Letters2020,31,6: | 1 |
| 3 | Preliminary exploration on low-carbon technology roadmap of China’s power sector显示文摘 | Qixin Chen Chongqing Kang Qing Xia Dabo Guan | 2011 | Energy2011,,3: | 1 |
| 4 | Synergetic roadmap of carbon neutrality and clean air for China显示文摘It is well recognized that carbon dioxide and air pollutants share similar emission sources so that synergetic policies on climate change mitigation and air pollution control can lead to remarkable co-benefits on greenhouse gas reduction,air quality improvement,and improved health.In the context of carbon peak,carbon neutrality,and clean air policies,this perspective tracks and analyzes the process of the synergetic governance of air pollution and climate change in China by developing and monitoring 18 indicators.The 18 indicators cover the following five aspects:air pollution and associated weather-climate conditions,progress in structural transition,sources,inks,and mitigation pathway of atmospheric composition,health impacts and benefits of coordinated control,and synergetic governance system and practices.By tracking the progress in each indicator,this perspective presents the major accomplishment of coordinated control,identifies the emerging challenges toward the synergetic governance,and provides policy recommendations for designing a synergetic roadmap of Carbon Neutrality and Clean Air for China. | Qiang Zhang Zhicong Yin Xi Lu Jicheng Gong Yu Lei Bofeng Cai Cilan Cai Qimin Chai Huopo Chen Hancheng Dai Zhanfeng Dong Guannan Geng Dabo Guan Jianlin Hu Cunrui Huang Jianing Kang Tiantian Li Wei Li Yongsheng Lin Jun Liu Xin Liu Zhu Liu Jinghui Ma Guofeng Shen Dan Tong Xuhui Wang Xuying Wang Zhili Wang Yang Xie Honglei Xu Tao Xue Bing Zhang Da Zhang Shaohui Zhang Shaojun Zhang Xian Zhang Bo Zheng Yixuan Zheng Tong Zhu Jinnan Wang Kebin He | 2023 | Environmental Science and Ecotechnology2023,,4: | 0 |
| 5 | Experimental study on flutter stability of a long-span bridge subject to wind-rain actions显示文摘Based on the free vibration test method for extracting flutter derivatives,an experiment on flutter stability of a long-span bridge under simultaneous actions of wind and rain was carried out in a wind tunnel.A separated twin-box girder section model was employed as the specimen.The flutter derivatives and critical flutter wind speed of this girder subject to both wind and rain(with various rainfall intensities,wind speeds and attack angles)were obtained,then the flutter stability of the bridge influenced by rainfall was analyzed.Experimental results showed that the flutter derivatives of this bridge depend on the angles of attack of wind flow in the wind and rain fields.Also,rainfall has great effect on three flutter derivatives(H2*,H4* and A4*)and has less effect on other three flutter derivatives(H1*,H3* and A3*).With the increasing rainfall density,the critical flutter velocity first increases and then decreases.Low density of rainfall has the effect of increasing mass,stiffness and damping on bridge decks,and higher density of rainfall has the effect of random inhomogeneous impact on bridge decks. | XIN DaBo LI Hui OU JinPing WANG Liang CHEN DongYing | 2013 | Science China(Technological Sciences)2013,56,8: | 0 |
| 6 | HCl guided morphology and conductivity of chiral PPy nanostructures toward efficient electromagnetic wave absorption显示文摘To solve the severe electromagnetic(EM)radiation from the widespread application of electronic equipment,we developed a simple template-guided oxypolymerization strategy to synthesize polypyrrole(PPy)planar helixes as an efficient EM wave(EMW)absorber,and systematically investigated the morphology-dependent chirality,conductivity,and microwave absorption properties.As HCl concentration[HCl]varied from 0 to 2.0 M,the morphology evolved from planar helix to 3D cross-linking network structures,the conductivity increased from 0.0019 to 0.0302 S/cm,and the EM parameters peaked at[HCl]=0.5 M.Compared to other absorbers,the PPy planar helix formed at[HCl]=0 M possessed wider absorption band(5.84 GHz),smaller matching thickness(1.6 mm),lower loading(25 wt.%),and intenser absorption(-48.17 dB).The reason lies in the strong attenuation capability,multiple resonances,multiple scattering,and good impedance matching generated by chiral PPy planar helixes with a distinctive helical configuration,doped heteroatoms(O,S),and a local conductive network.Our results suggest that PPy planar helixes offer great promise for fields such as chiral sensors,electronics,optics,chiral catalysis,and EMW absorption and shielding due to their distinctive morphology,tunable conductivity,and outstanding EMW absorption properties(EMWAPs). | YANG XiaoFen FAN BaoXin WANG XinXin WU LiShan YAO QiBin TONG GuoXiu WU WenHua CHEN DaBo | 2022 | Science China(Technological Sciences)2022,65,4: | 0 |
| 7 | MEIC-global-CO_(2):A new global CO_(2)emission inventory with highly-resolved source category and sub-country information显示文摘CO_(2)emission inventory provides fundamental data for climate research and emission mitigation.Currently,most global CO_(2)emission inventories were developed with energy statistics from International Energy Agency(IEA)and were available at country level with limited source categories.Here,as the first step toward a high-resolution and dynamic updated global CO_(2)emission database,we developed a data-driven approach to construct seamless and highly-resolved energy consumption data cubes for 208 countries/territories,797 sub-country administrative divisions in 29 countries,42 fuel types,and 52 sectors,with the fusion of activity data from 24 international statistics and 65 regional/local statistics.Global CO_(2)emissions from fossil fuel combustion and cement production in 1970–2021 were then estimated with highly-resolved source category(1,484 of total)and sub-country information(797 of total).Specifically,73%of global CO_(2)emissions in 2021 were estimated with sub-country information,providing considerably improved spatial resolution for global CO_(2)emission accounting.With the support of detailed information,the dynamics of global CO_(2)emissions across sectors and fuel types were presented,representing the evolution of global economy and progress of climate mitigation.Remarkable differences of sectoral contribution were found across sub-country administrative divisions within a given country,revealing the uneven distribution of energy and economic structure among different regions.Our estimates were generally consistent with existing databases at aggregated level for global total or large emitters,while large discrepancies were observed for middle and small emitters.Our database,named the Multiresolution Emission Inventory model for Climate and air pollution research(MEIC)is publicly available through http://gffzz6c575fb1d0a54d36h5fc6cpfo6pxb6wwk.ffgz.tsg.suse.edu.cn with highly-resolved information and timely update,which provides an independent carbon emission accounting data source for climate research. | Ruochong XU Dan TONG Qingyang XIAO Xinying QIN Cuihong CHEN Liu YAN Jing CHENG Can CUI Hanwen HU Wenyu LIU Xizhe YAN Huaxuan WANG Xiaodong LIU Guannan GENG Yu LEI Dabo GUAN Kebin HE Qiang ZHANG | 2024 | Science China Earth Sciences2024,67,2: | 0 |
| 8 | A strategy to design eutectic high-entropy alloys based on binary eutectics显示文摘1.Introduction As an ancient method for manufacturing metallic materials,casting has the advantages of low cost,high process flexibility and forming complex parts.However,due to the poor as-cast mechanical properties,various processes after casting are generally necessary for traditional metallic materials to eliminate casting defects(e.g.,voids,shrinkage cavities and elemental segregation)and improve their properties,such as rolling,forging,and heat treatment. | Dabo Duan Yuan Wu Haotian Chen Xianzhen Wang Xiongjun Liu Hui Wang Suihe Jiang Zhaoping Lu | 2022 | Journal of Materials Science & Technology2022,,8: | 0 |