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Folding encapsulation toward Lindqvist polyoxometalates within adaptive coordination cages for catalysis

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Science China Chemistry 2024年

作者： Ying-Mei Zhong jin-jin Xuan Xu-{2. Qin Han {3. Zi-Jun Xia Li-Peng Zhou {3.-Qing Guo Yu-Hang Hu Lu zhang Chun-Sen Li Li-Xuan Cai Qing-Fu Sun State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences College of Chemistry and Materials Science Fujian Normal University University of chinese {1. of Sciences

In nature,enzymes at specific folded conformations exhibit high substrate complementarity,enabling them to efficiently and selectively catalyze biochemical *** by enzymes,coordination cages with conformational dynamics have been designed and are receiving increasing attention due to their versatile applications in allosteric guest binding and *** present here two enzyme-mimicking adaptive macrocycle-based coordination cages,Pd2.1.0}nd Pd2.2.,from macrocycle-based ligands（L1.nd L2. and the encapsulation and stabilization of Lindqvist polyoxometalates anions M6O1.2.（M=W or Mo） in neutral aqueous solution.X-ray crystallographic studies have verified the formation of 1.1.host-guest complexes of two Pd2.L2.cages and the W6O1.2.anion,via an induced-fit folding *** with the free host,Pd2.1.0}xhibited an induced-fit semi-folded conformation in the inclusion complex,while Pd2.2.adopted an induced-fit fully-folded ***,the Mo6O1.?Pd2.2.ost-guest complexes demonstrate high yield and selectivity in the oxidative decontamination reaction of the sulfur mustard simulant,2.chloroethyl ethyl *** work not only sheds light on the importance of conformational adaptability in enzyme-like systems but also paves the way for protecting labile POM clusters via host-guest encapsulation toward enhanced catalytic performance in aqueous solution.

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A CAD-BEM geometry transformation method for face-based primary geometric input based on closed contour recognition

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Building Simulation 2024年第2期17卷 335-354页

作者： Jun xiao Hao Zhou Shiji Yang Deyin {1. Borong Lin Department of Building Science School of ArchitectureTsinghua UniversityBeijing100084China Key Laboratory of Eco Planning&Green Building Ministry of EducationTsinghua UniversityBeijing100084China institute for Urban Governance and Sustainable Development Tsinghua UniversityBeijing100084China

Performance analysis during the early design stage can significantly reduce building energy ***,it is difficult to transform computer-aided design(CAD)models into building energy models(BEM)to optimize building *** model structures for CAD and BEM are *** this study,geometry transformation methods was implemented in BES tools for the early design stage,including auto space generation(ASG)method based on closed contour recognition(CCR)and space boundary topology calculation *** program is developed based on modeling tools SketchUp to support the CAD format(like*.stl,*.dwg,*.ifc,etc.).It transforms face-based geometric information into a zone-based tree structure model that meets the geometric requirements of a single-zone BES combined with the other thermal parameter inputs of the *** addition,this study provided a space topology calculation method based on a single-zone BEM *** program was developed based on the SketchUp modeling tool to support additional CAD formats(such as*.stl,*.dwg,*.ifc),which can then be imported and transformed into*.*** to current methods mostly focused on BIM-BEM transformation,this method can ensure more modeling *** method was integrated into a performance analysis tool termed MOOSAS and compared with the current version of the transformation *** were tested on a dataset comprising 3. conceptual models without partitions and six real cases with detailed *** ensures a transformation rate of two times in any bad model condition and costs only 1.5 of the time required to calculate each room compared to the previous version.

关键词： geometry transformation building energy model computer aid design closed contour recognition

CAS-ESM2.0 Dataset for the Carbon Dioxide Removal Model Intercomparison Project(CDRMIP)

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Advances in Atmospheric Sciences 2024年第5期41卷 989-1000页

作者： Jiangbo jin Duoying JI {1. DONG Kece FEI Run GUO Juanxiong HE Yi YU Zhaoyang CHAI He {2. Dongling {2. Kangjun CHEN Qingcun ZENG International Center for Climate and Environment Sciences Institute of Atmospheric PhysicsChinese Academy of SciencesBeijing 100029China State Key Laboratory of Satellite Ocean Environment Dynamics Second Institute of OceanographyMinistry of Natural ResourcesHangzhou 310012China State Key Laboratory of Earth Surface Processes and Resource Ecology College of Global Change and Earth System ScienceBeijing Normal UniversityBeijing 100875China State Key Laboratory of Numerical Modeling for Atmospheric Sciences and Geophysical Fluid Dynamics Institute of Atmospheric PhysicsChinese Academy of SciencesBeijing 100029China

Understanding the response of the Earth system to varying concentrations of carbon dioxide(CO_(2.)is critical for projecting possible future climate change and for providing insight into mitigation and adaptation strategies in the near *** this study,we generate a dataset by conducting an experiment involving carbon dioxide removal(CDR)—a potential way to suppress global warming—using the {1. academy of Sciences Earth System Model version 2.0(CASESM2.0).A preliminary evaluation is *** model is integrated from 2.0–3.0 years as a 1.yr^(−1. CO_(2. concentration increase experiment,and then to~478 years as a carbon dioxide removal experiment until CO_(2. returns to its original ***,another 80 years is integrated in which CO_(2. is kept *** in the 2.m temperature,precipitation,sea surface temperature,ocean temperature,Atlantic meridional overturning circulation(AMOC),and sea surface height are all *** the ramp-up period,the global mean 2.m temperature and precipitation both increase while the AMOC *** of all the above variables change in the opposite direction in the ramp-down period,with a delayed peak relative to the CO_(2. *** CO_(2. returns to its original value,the global mean 2.m temperature is still~1.K higher than in the original state,and precipitation is~0.07 mm d^(–1. *** the end of the simulation,there is a~0.5°C increase in ocean temperature and a 1.Sv weakening of the *** model simulation produces similar results to those of comparable experiments previously reported in the literature.

关键词： CAS-ESM2.0 CDRMIP carbon dioxide removal AMOC temperature precipitation sea surface height

Temperature variation and its driving forces over the Antarctic coastal regions in the past 2.0 years

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Journal of Geographical Sciences 2002年第4期12卷 379-386页

作者： zhang Mingjun1. {1. REN Jiawen{1. CHENG Guodong{1. LI Zhongqin{1.xiao Cunde{1. QIN Dahe{1. KANG Jiancheng3. LI Jun4(1. College of Geography and Environment, Northwest Normal University, Lanzhou 73.070, China {1. Cold and Arid Regions Environmental and Eng College of Geography and Environment Northwest Normal University Lanzhou 730070 Cold and Arid Regions Environmental and Engineering Research institute CAS Lanzhou 730000 chinese {1. of Polar Research 上海 200129 Antarctic Cooperation Research Center and Australian Antarctic Division 澳大利亚 Hobart

By comparing the oxygen isotopic temperatures recorded by many shallow ice cores from the coastal regions of Antarctica, this paper presents the special characteristics of the temperature variations over the Antarctic coastal regions in the past 50 years, 1.0 years and 2.0 years. In the past 50 years, the isotopic temperatures recorded in the ice cores over different sites on the Antarctic coastal regions differ greatly. For instance, although increasing isotopic temperatures have been reported for many sites studied, many sites show decreasing trends, the regional regularity in temperature variations is still insignificant. In the past 1.0 years, the isotopic temperature trends in the coastal regions of Antarctica show an alternate-distributing pattern. In the past 2.0 years, all the ice cores from the coastal regions of Antarctica have recorded the so-called Little Ice Age (LIA). The above-mentioned spatial characteristics of the temperature variations over the Antarctic coastal regions are likely to reflect the impacts of the unique Southern Hemisphere atmospheric circulation, the Antarctic Circumpolar Wave (ACW) and the special terrain (such as the large drainage basins) on the coastal regions of Antarctica. Furthermore, the impacting intensity of the unique Southern Hemisphere atmospheric circulation, the Antarctic Circumpolar Wave and the special terrain differs in terms of the temporal scale of the temperature change.

关键词： Antarctica ice core temperature terrain Antarctic Circumpolar Wave (ACW) circumpolar circulation

1.B-doped MCP detector developed for neutron resonance imaging at Back-n white neutron source

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Nuclear Science and Techniques 2024年第8期35卷 58-68页

作者： Qiang Li Li‑Jiao Wang jing‑Yu Tang Xiang‑Biao Qiu Zhen Chen Mao‑Yuan Zhao Chang‑Jun Ning Kai Pan Wei Xu Tao Li Su‑Peng Lu Han Yi Rui‑Rui Fan Chang‑Qing Feng Rong {1. {2.‑Yang Sun Qi An Hao‑Fan Bai Jiang‑Bo Bai {3. Bao Ping Cao Qi‑Ping Chen Yong‑Hao Chen Zeng‑Qi Cui An‑Chuan Fan Fan‑Zhen Feng Min‑Hao Gu Chang‑Cai Han Zi‑{3. Han Guo‑Zhu He Yong‑Cheng He Yang Hong Yi‑Wei Hu Han‑Xiong Huang Wei Jiang Zhi‑{3. Jiang Zheng‑Yao jin Ling Kang Bo Li Gong Li {2. Li Yang Li {3. Liu Rong Liu Shu‑Bin Liu Yi‑Na Liu Guang‑Yuan Luan {3. Ren Zhi‑Zhou Ren Xi‑Chao Ruan Zhao‑Hui Song Kang Sun Zhi‑Xin Tan Sheng‑Da Tang jin‑Cheng Wang Peng‑Cheng Wang Zhao‑Hui Wang Zhong‑Wei Wen {2.‑Guang Wu Xuan Wu Cong Xia Yong‑Ji Yu Guo‑Hui {1. Hang‑Chang {1. Lin‑Hao {1. Qi‑Wei {1. Xian‑Peng {1. Yu‑Liang {1. Yue {1. Zhi‑Yong {1. Zhi‑Hao Zhou Ke‑Jun Zhu Chong Zou institute of High Energy Physics Chinese Academy of Sciences(CAS)Beijing 100049China Spallation Neutron Source Science Center Dongguan 523803China State Key Laboratory of Particle Detection and Electronics Institute of High Energy Physics Chinese Academy of SciencesBeijing 100049China Dongguan Songshan Lake Future School Dongguan 523808China School of Nuclear Science and Technology University of Science and Technology of ChinaHefei 230027China State Key Laboratory of Particle Detection and Electronics University of Science and Technology of ChinaHefei 230026China North Night Vision Science and Technology(Nanjing)Research {1. Co.Ltd Nanjing 211106China Department of Modern Physics University of Science and Technology of ChinaHefei 230026China State Key Laboratory of Nuclear Physics and Technology School of PhysicsPeking UniversityBeijing 100871China institute of Modern Physics Fudan UniversityShanghai 200433China Key Laboratory of Nuclear Data China Institute of Atomic EnergyBeijing 102413China China academy of Engineering Physics Institute of Nuclear Physics and ChemistryMianyang 621900China USTC archaeometry lab University of Science and Technology of ChinaHefei 230026China Northwest institute of Nuclear Technology Xi’an 710024China University of chinese {1. of Sciences Beijing 100049China China Shipbuilding Trading Co. LtdBeijing 100044China

Neutron resonance imaging(NRI)has recently emerged as an appealing technique for neutron *** complexity surpasses that of conventional transmission imaging,as it requires a high demand for both a neutron source and ***,the progression of NRI technology has been sluggish since its inception in the 1.80s,particularly considering the limited studies analyzing the neutron energy range above *** white neutron source(Back-n)at the China Spallation Neutron Source(CSNS)provides favorable beam conditions for the development of the NRI technique over a wide neutron energy range from eV to ***-sensitive microchannel plates(MCP)have emerged as a cutting-edge tool in the field of neutron detection owing to their high temporal and spatial resolutions,high detection efficiency,and low *** this study,we report the development of a 1.B-doped MCP detector,along with its associated electronics,data processing system,and NRI experiments at the *** heavy elements such as gold,silver,tungsten,and indium can be easily identified in the transmission images by their characteristic resonance peaks in the 1.1.0 eV energy range;the more difficult medium-weight elements such as iron,copper,and aluminum with resonance peaks in the 1.1.0 keV energy range can also be *** particular,results in the neutron energy range of dozens of keV(Aluminum)are reported here for the first time.

关键词： Neutron resonance imaging 1.B doped MCP detector White neutron source Sample nuclide identification

Multilevel Attention Unet Segmentation Algorithmfor Lung Cancer Based on CT Images

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Computers, Materials & Continua 2024年第2期78卷 1569-1589页

作者： Huan Wang Shi Qiu Benyue zhang Lixuan {1. Xi’an institute of Optics and Precision Mechanics Chinese Academy of SciencesXi’anChina School of Biomedical Engineering Fourth Military Medical UniversityXi’anChina University of Illinois at Urbana Champion ChampaignUSA

Lung cancer is a malady of the lungs that gravely jeopardizes human ***,early detection and treatment are paramount for the preservation of human *** computed tomography(CT)image sequences can explicitly delineate the pathological condition of the *** meet the imperative for accurate diagnosis by physicians,expeditious segmentation of the region harboring lung cancer is of utmost *** utilize computer-aided methods to emulate the diagnostic process in which physicians concentrate on lung cancer in a sequential manner,erect an interpretable model,and attain segmentation of lung *** specific advancements can be encapsulated as follows:1.Concentration on the lung parenchyma region:Based on 1.-bit CT image capturing and the luminance characteristics of lung cancer,we proffer an intercept histogram algorithm.2.Focus on the specific locus of lung malignancy:Utilizing the spatial interrelation of lung cancer,we propose a memory-based Unet architecture and incorporate skip connections.{1.Data Imbalance:In accordance with the prevalent situation of an overabundance of negative samples and a paucity of positive samples,we scrutinize the existing loss function and suggest a mixed loss *** results with pre-existing publicly available datasets and assembled datasets demonstrate that the segmentation efficacy,measured as Area Overlap Measure(AOM)is superior to 0.81.which markedly ameliorates in comparison with conventional algorithms,thereby facilitating physicians in diagnosis.

关键词： Lung cancer computed tomography computer-aided diagnosis Unet segmentation

Experimental research into the two-proton emissions from ^(1.,1.) Ne,^(2.) P and ^(2.,2.)S

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Science China(Physics,Mechanics & Astronomy) 2011年第S1期54卷 73-80页

作者： LIN ChengJian1, XU XinXing1, JIA HuiMing1, YANG Feng1, JIA Fei1, WU ZhenDong1, zhang ShiTao1, LIU ZuHua1, zhang HuanQiao1, XU HuShan2. SUN ZhiYu2. WANG JianSong2. HU ZhengGuo2. WANG Meng2. CHEN RuoFu2. zhang XueYing2. LI Chen2. LEI XiangGuo2. XU ZhiGuo2. {13. GuoQing2.& ZHAN WenLong2.1China institute of Atomic Energy, P. O. Box 2.5(10), Beijing 102.13. China 2.institute of Modern Physics, chinese {23. of Sciences, Lanzhou 73.000, China 1. China institute of Atomic Energy P. O. Box 275(10) Beijing 102413 China2. Institute of Modern Physics Chinese Academy of Sciences Lanzhou 730000 China

Two-proton emissions from the excited states of 1.,1.Ne, 2.P and 2.,2.S were investigated experimentally by the radioactive beams bombarding on the 1.7Au target via the Coulomb excitation. The complete-kinematics measurements were actualized by the stacks of silicon-strip detectors and CsI+PIN array detectors. The invariant mass of final systems as well as the relative momentum, opening angle, and relative energy of the two emitted protons was reconstructed under the framework of relativ istic kinematics. Visible proton-proton correlations were observed in these systems. The mechanisms of two-proton emission were analyzed in a simple schematic model, in which the extreme decay modes like He cluster emission, three-body 2.phase-space decay, and two-body sequential decay were taken into account. With the help of Monte-Carlo simulations, the two protons emitted from the 6.1. MeV excited state of Ne and the excited states in the energy region of 9.6–1..4 MeV of S, 1. 2. respectively, exhibited prominent features of2.He cluster decay while for the other cases, no obvious diproton emissions were observed.

关键词： two-proton emission radioactive ion beam complete-kinematics measurement He cluster decay three-body 2 phase-space decay two-body sequential decay

Stereoselectiveα-Glycosylation with GlcN_(3.Donors Enabled Collective Syntheses of Acinetobacter baumannii Capsular Polysaccharides K43.K47 and K88 Repeating Units

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chinese Journal of Chemistry 2024年第14期42卷 1593-1598页

作者： Kunxiu Shou Shanshan Liu Yunqin zhang Guozhi {1. State Key Laboratory of Phytochemistry and Plant Resources in West China Kunming Institute of BotanyUniversity of Chinese Academy of SciencesChinese Academy of SciencesKunmingYunnan650201 China

Collective syntheses of *** CPS K43.K47 and K88 repeating units have been accomplished via a newα-glycosylation method with GlcN_(3. as donors,which features:1.mild reaction conditions,2.good to high yields,3.excellent *** synthetic route also highlights an orthogonal one-pot coupling strategy on the basis of glycosyl ortho-(1.phenylvinyl)benzoates for stereoselective constructions of both 1.2.trans and 1.2.cis glycosidic bonds,precluding the issues of aglycone transfer.

关键词： A baumanni CPS α-Glycosylation method One-pot glycosylation 1.2.GlcN bonds Glycosyl ortho-(1.phenylvinyl)benzoates Carbohydrates Oligosaccharides Total synthesis

Facilitating prelithiation of silicon carbon anode by localized high-concentration electrolyte for high-rate and long-cycle lithium storage

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Carbon Energy 2024年第6期6卷 216-233页

作者： Yuanxing zhang Borong Wu Jiaying Bi Xinyu zhang Daobin Mu Xin-Yu zhang Ling zhang Yao xiao Feng Wu School of Materials Science and Engineering Beijing Institute of TechnologyBeijingChina Chongqing Innovation Center Beijing Institute of TechnologyChongqingChina College of New Energy Xi′an Shiyou UniversityXi′anChina institute for Carbon Neutralization College of Chemistry and Materials EngineeringWenzhou UniversityWenzhouChina Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education) Nankai UniversityTianjinChina

The commercialization of silicon-based anodes is affected by their low initial Coulombic efficiency(ICE)and capacity decay,which are attributed to the formation of an unstable solid electrolyte interface(SEI)***,a feasible and cost-effective prelithiation method under a localized highconcentration electrolyte system(LHCE)for the silicon-silica/graphite(Si-SiO_(2./C@G)anode is designed for stabilizing the SEI layer and enhancing the *** thin SiO_(2./C layers with-NH_(2. groups covered on nano-Si surfaces are demonstrated to be beneficial to the prelithiation process by density functional theory calculations and electrochemical *** SEI formed under LHCE is proven to be rich in ionic conductivity,inorganic substances,and flexible organic ***,faster Li+transportation across the SEI further enhances the prelithiation effect and the rate performance of Si-SiO_(2./C@G *** also leads to uniform decomposition and high stability of the SEI with abundant organic *** a result,the prepared anode shows a high reversible specific capacity of 93..5 mAh g^(-1.after 400 cycles at a current density of 1.*** 81.‖Li-SSGLHCE full cell achieves a high-capacity retention of 1.0}.1. mAh g^(-1.at 1.C over 750 cycles with 84.82.ICE,indicating the great value of this strategy for Si-based anodes in large-scale applications.

关键词： localized high-concentration electrolytes prelithiation SEI layer silicon anode