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Coordination environments build up and tune a superior synergistic “genome” toward novel trifunctional (TM-N_(x)O_(4−x))@g- C_(16)N_(3)-H_(3): High-throughput inspection of ultra-high activity for water splitting and oxygen reduction reactions

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Nano Research 2024年第4期17卷 2337-2351页

作者： Chunyao fang Xian Wang Qiang zhang Xihang zhang Chenglong Shi Jingcheng Xu Mengyu Yang Department of Physics University of Shanghai for Science and TechnologyShanghai 200093China School of Materials and Chemistry University of Shanghai for Science and TechnologyShanghai 200093China

Emerging as a prominent area of focus in energy conversion and storage technologies,the development of highly active metal-based single-atom catalysts(SACs)holds great signiﬁcance in searching alternatives to replace precious metals toward the efficient,stable,and low-cost hydrogen evolution reaction(HER),as well as the oxygen evolution reaction(OER)and the oxygen reduction reaction(ORR).Combining the tremendous tunability of ligand and coordination environment with rich metal-based electrocatalysts can create breakthrough opportunities for achieving both high stability and ***,we propose a novel and stable holey graphene-like carbon nitride monolayer g-C_(16)N5(N_(4)@g-C_(16)N_(3))stoichiometries interestingly behaving as a natural substrate for constructing SACs((TM-N_(4))@g-C_(16)N_(3)),whose evenly distributed holes map rich and uniform nitrogen coordination positions with electron-rich lone pairs for anchoring transition metal(TM)***,we employed density functional theory(DFT)calculations to systematically investigate the electrocatalytic activity of(TM-N_(4))@g-C_(16)N_(3) toward HER/OER/ORR,meanwhile considering the synergistic modulation of H-loading and O-coordination((TM-N_(x)O_(4-x))@g-C_(16)N_(3)^(-)H_(3),x=0–4).Together a“four-step procedure”screening mechanism with the first-principles high-throughput calculations,we find that(Rh-N_(4))and(Ir-N_(2)O_(2)-II)distributed on g-C_(16)N_(3)^(-)H_(3) can modulate the adsorption strength of the adsorbates,thus achieving the best HER/OER/ORR performance among 216 candidates,and the lowest overpotential of 0.098/0.3/0.46 V and 0.06/0.48/0.45 V,***,the d-band center,crystal orbital Hamilton population(COHP),and molecular orbitals are used to reveal the OER/ORR activity ***,the Rh/Ir-d orbital is dramatically hybridized with the O-p orbital of the oxygenated adsorbates,so that the lone-electrons incipiently locate at the antibonding orbital pair up and popula

关键词： single atom catalysts loading and coordination hydrogen evolution reaction oxygen evolution reaction oxygen reduction reaction

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Efficient and reversible separation of NH_(3) by deep eutectic solvents with multiple active sites and low viscosities

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Chinese Journal of Chemical Engineering 2024年第3期67卷 97-105页

作者： Jiayin zhang Lu Zheng Siqi fang Hongwei zhang Zhenping Cai Kuan Huang Lilong Jiang National Engineering Research Center of Chemical Fertilizer Catalyst(NERC-CFC) College of Chemical EngineeringFuzhou UniversityFuzhou 350002China Qingyuan Innovation Laboratory Quanzhou 362801China

The efficient separation and collection of ammonia(NH_(3))during NH_(3) synthesis process is essential to improve the economic efficiency and protect the *** this work,ethanolammonium hydrochloride(EtOHACl)and phenol(PhOH)were used to prepare a novel class of deep eutectic solvents(DESs)with multiple active sites and low *** NH_(3) separation performance of EtOHACl+PhOH DESs was analyzed *** is figured out that the NH_(3) absorption rates in EtOHACl+PhOH DESs are very *** NH_(3) absorption capacities are very high and reach up to 5.52 and 10.74 mol·kg1 at 11.2 and 100.4 kPa under 298.2 K,*** addition,the EtOHACl+PhOH DESs present highly selective absorption of NH_(3) over N_(2) and H_(2) and good regenerative properties after seven cycles of absorption/*** intrinsic separation mechanism of NH_(3) by EtOHACl+PhOH DESs was further revealed by spectroscopic analysis and quantum chemistry calculations.

关键词： Separation Absorption Ionic liquid Deep eutectic solvent Multiple active site Low viscosity

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Simulating the evolution of focused waves by a two-layer Boussinesq-type model

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Acta Oceanologica Sinica 2024年第5期43卷 91-99页

作者： Ping Wang Zhongbo Liu Kezhao fang Wenfeng Zou Xiangke dong Jiawen Sun State Environmental Protection Key Laboratory of Marine Ecosystem Restoration National Marine Environmental Monitoring CenterDalian 116023China College of Transportation Engineering Dalian Maritime UniversityDalian 116026China State Key Laboratory of Coastal and Offshore Engineering Dalian University of TechnologyDalian 116024China

Accurate simulation of the evolution of freak waves by the wave phase focusing method requires accurate linear and nonlinear properties,especially in deep-water *** this paper,we analyze the ability to simulate deep-water focused waves of a two-layer Boussinesq-type(BT)model,which has been shown to have excellent linear and nonlinear *** further improve the numerical accuracy and stability,the internal wavegenerated method is introduced into the two-layer Boussinesq-type ***,the sensitivity of the numerical results to the grid resolution is analyzed to verify the convergence of the model;secondly,the focused wave propagating in two opposite directions is simulated to prove the symmetry of the numerical results and the feasibility of the internal wave-generated method;thirdly,the limiting focused wave condition is simulated to compare and analyze the wave surface and the horizontal velocity of the profile at the focusing position,which is in good agreement with the measured *** the simulation of focused waves in very deep waters agrees well with the measured values,which further demonstrates the capability of the two-layer BT model in simulating focused waves in deep waters.

关键词： focused waves numerical simulation Boussinesq-type model velocity profile

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Progressive meristem and single-cell transcriptomes reveal the regulatory mechanisms underlying maize inflorescence development and sex differentiation

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Molecular Plant 2024年第7期17卷 1019-1037页

作者： Yonghao Sun Liang dong Lu Kang Wanshun Zhong David Jackson fang Yang National Key Laboratory of Crop Genetic Improvement Huazhong Agricultural UniversityWuhan 430070China Hubei Hongshan Laboratory Wuhan 430070China Cold Spring Harbor Laboratory Cold Spring HarborNY 11724USA School of Agriculture Sun Yat-Sen UniversityShenzhen 518107China

Maize develops separate ear and tassel inflorescences with initially similar morphology but ultimately different architecture and *** detailed regulatory mechanisms underlying these changes still remain largely *** this study,through analyzing the time-course meristem transcriptomes and floret single-cell transcriptomes of ear and tassel,we revealed the regulatory dynamics and pathways underlying inflorescence development and sex *** identified 16 diverse gene clusters with differential spatiotemporal expression patterns and revealed biased regulation of redox,programmed cell death,and hormone signals during meristem differentiation between ear and ***,based on their dynamic expression patterns,we revealed the roles of two RNA-binding proteins in regulating inflorescence meristem activity and axillary meristem ***,using the transcriptional profiles of 53910 single cells,we uncovered the cellular heterogeneity between ear and tassel *** found that multiple signals associatedwith either enhancedcell death or reduced growth are responsiblefortassel pistil suppression,while part of the gibberellic acid signal may act non-cell-autonomously to regulate ear stamen arrest during sex *** further showed that the pistil-protection gene SILKLESS 1(SK1)functions antagonistically to the known pistil-suppression genes through regulating common molecular pathways,and constructed a regulatory network for pistil-fate ***,our study provides a deep understanding of the regulatory mechanisms underlying inflorescence development and sex differentiation in maize,laying the foundation for identifying new regulators and pathways for maize hybrid breeding and improvement.

关键词： maize inflorescence floral organ sex differentiation single-cell RNA sequencing RNA-binding protein

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Enhanced memristor performance via coupling effect of oxygen vacancy and ferroelectric polarization

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Journal of Materials Science & Technology 2024年第4期171卷 139-146页

作者： Zhi Yun Yue Zhi dong zhang Zhan Jie Wang Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China School of Materials Science and Engineering University of Science and Technology of ChinaShenyang 110016China School of Materials Science and Engineering Shenyang University of TechnologyShenyang 110870China

As a new type of nonvolatile memory,the resistive memristor has broad application prospects in in-formation storage and neural computing based on its excellent resistive switching(RS)*** present,it is still a great challenge to improve both ferroelectric polarization and leakage current to achieve a high RS on/offratio of ferroelectric ***,epitaxial Pb(Zr_(0.40)Ti_(0.60))O_(3)(PZT)thin films with low content Ca doping were deposited on the Nb:SrTiO_(3)substrate to prepare PCZT/NSTO het-erostructures and their RS behaviors were *** research findings show that compared with pure PZT film,the ferroelectric polarization of 1-mol%-Ca-doped PZT film is slightly improved,while the leak-age current is increased by three orders of ***,the RS on/offratio reaches 2.5×10^(5),about three orders of magnitude higher than pure PZT *** theoretical analysis reveals that the RS behavior of PCZT/NSTO heterostructures is controlled by the PCZT/NSTO interfacial barrier and the space charge-limited current *** results demonstrate that the ferroelectricity and electricity of ferroelectric thin films can be improved simultaneously by doping low-content Ca ions to increase the RS performance,which provides a good reference for the development of high-performance ferroelectric memristor devices.

关键词： Ferroelectric memristor Ca-doped PZT Ferroelectric polarization Oxygen vacancies Resistive switching

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Towards adaptable synchrotron image restoration pipeline

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NUCLEAR SCIENCE AND TECHNIQUES 2024年第10期35卷 1-13页

作者： Li, Chun Bi, Xiao-Xue zhang, Yu-Jun zhang, Zhen Wang, Li-Wen Zhuang, Jian Chen, dong-Liang dong, Yu-Hui zhang, Yi Chinese Acad Sci Inst High Energy Phys Beijing Synchrotron Radiat Facil Beijing 100049 Peoples R China Spallat Neutron Source Sci Ctr Dongguan 523803 Peoples R China Univ Chinese Acad Sci Beijing 100049 Peoples R China Univ Sci & Technol China Natl Synchrotron Radiat Lab Hefei 230029 Peoples R China

Synchrotron microscopic data commonly suffer from poor image quality with degraded resolution incurred by instrumentation defects or experimental conditions. Image restoration methods are often applied to recover the reduced resolution, providing improved image details that can greatly facilitate scientific discovery. Among these methods, deconvolution techniques are straightforward, yet either require known prior information or struggle to tackle large experimental data. Deep learning (DL)-based super-resolution (SR) methods handle large data well, however data scarcity and model generalizability are problematic. In addition, current image restoration methods are mostly offline and inefficient for many beamlines where high data volumes and data complexity issues are encountered. To overcome these limitations, an online image-restoration pipeline that adaptably selects suitable algorithms and models from a method repertoire is promising. In this study, using both deconvolution and pretrained DL-based SR models, we show that different restoration efficacies can be achieved on different types of synchrotron experimental data. We describe the necessity, feasibility, and significance of constructing such an image-restoration pipeline for future synchrotron experiments.

关键词： Synchrotron Deconvolution Deep learning Super-resolution Pipeline SUPERRESOLUTION REGULARIZATION DECONVOLUTION SOFTWARE

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A comparison of statistical learning of naturalistic textures between DCNNs and the human visual hierarchy

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Science China(Technological Sciences) 2024年第8期67卷 2310-2318页

作者： LU XinCheng YUAN ZiQi zhang YiChi AI HaiLin CHENG SiYuan GE YiRan fang fang CHEN NiHong Department of Psychological and Cognitive Sciences Tsinghua UniversityBeijing 100084China IDG/McGovern Institute for Brain Research Tsinghua UniversityBeijing 100084China Department of Computer Science and Technology Tsinghua UniversityBeijing 100084China School of Psychological and Cognitive Sciences and Beijing Key Laboratory of Behavior and Mental Health Peking UniversityBeijing 100871China Key Laboratory of Machine Perception(Ministry of Education) Peking UniversityBeijing 100871China Peking-Tsinghua Center for Life Sciences Peking UniversityBeijing 100871China IDG/McGovern Institute for Brain Research Peking UniversityBeijing 100871China State Key Laboratory of Brain and Cognitive Science Institute of PsychologyChinese Academy of SciencesBeijing 100101China

The visual system continuously adapts to the statistical properties of the environment. Existing evidence shows a close resemblance between deep convolutional neural networks(CNNs) and primate visual stream in neural selectivity to naturalistic textures above the primary visual processing stage. This study delves into the mechanisms of perceptual learning in CNNs,focusing on how they assimilate the high-order statistics of natural textures. Our results show that a CNN model achieves a similar performance improvement as humans, as manifested in the learning pattern across different types of high-order image statistics. While L2 was the first stage exhibiting texture selectivity, we found that stages beyond L2 were critically involved in learning. The significant contribution of L4 to learning was manifested both in the modulations of texture-selective responses and in the consequences of training with frozen connection weights. Our findings highlight learning-dependent plasticity in the mid-to-high-level areas of the visual hierarchy. This research introduces an AI-inspired approach for studying learning-induced cortical plasticity, utilizing DCNNs as an experimental framework to formulate testable predictions for empirical brain studies.

关键词： CNN perceptual learning naturalistic texture psychophysics

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Primary acinic cell carcinoma of the breast: A case report and review of literature

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World Journal of Clinical Cases 2024年第1期12卷 196-203页

作者： Jia-Sheng Ding Min zhang fang-fang Zhou Department of Intensive Care Unit Lishui Central HospitalThe Fifth Affiliated Hospital of Wenzhou Medical UniversityLishui 323000Zhejiang ProvinceChina Department of Pathology Lishui Central HospitalThe Fifth Affiliated Hospital of Wenzhou Medical UniversityLishui 323000Zhejiang ProvinceChina Department of Ultrasound Lishui Central HospitalThe Fifth Affiliated Hospital of Wenzhou Medical UniversityLishui 323000Zhejiang ProvinceChina

BACKGROUND In the current World Health Organization classification,acinic cell carcinoma(AcCC)of the breast is considered a rare histological subtype of triple-negative breast *** of the few reports in the literature,data concerning clinical outcomes are ***,we report a case of AcCC of the breast in a 48-year-old woman.A 48-year-old woman with a mass in her right breast came to our hospital for further *** and an ultrasound(US)scan showed a mass in the upper inner side of the right *** then underwent surgery to resect the mass in her right *** pathological examination revealed that the tumor had abundant acinar-like structures formed by tumor cells with prominent eosinophilic granules in the cytoplasm,consistent with acinar cell *** results of immunohistochemical analysis supported the diagnosis of breast acinar cell *** months later,she underwent breast-conserving surgery and sentinel lymph node *** pTNM stage was *** surgery,the patient received 30 radiotherapy *** patient was followed up for a period of one year,and no recurrence was *** of the breast is a rare type of malignant *** it is usually asym-ptomatic and can be detected by imaging studies,routine breast US or mamm-ograms are ***,there are no characteristic diagnostic imaging findings or clinical manifestations,so immunohistochemical examination is critical for an accurate diagnosis of AcCC of the breast.

关键词： Acinic cell carcinoma Breast Malignant tumor Immunohistochemical Surgery Case report

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A survey on the network models applied in the industrial network optimization

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Science China(Information Sciences) 2024年第2期67卷 85-103页

作者： Chao dong Xiaoxiong XIONG Qiulin XUE Zhengzhen zhang Kai NIU Ping zhang Key Laboratory of Universal Wireless Communications Ministry of EducationBeijing University of Posts and Telecommunications Smart City College Beijing Union University

Network architecture design is critical for optimizing industrial networks. Network architectures can be classified into small-scale networks and large-scale networks based on scale. Graph theory is an efficient mathematical tool for network topology modeling. For small-scale networks, their structure often has regular topology. For large-scale ones, the current body of work mainly focuses on random characteristics of network nodes and edges. Recently, widely used models include random networks, small-world networks,and scale-free networks. In this study, starting from the scale of the network, network modeling methods based on graph theory as well as their industrial applications, are summarized and analyzed. Moreover, a novel network performance metric, called system entropy, is proposed. From the perspective of mathematical properties, an analysis of its non-negativity and concavity is performed. The advantage of system entropy is that it can cover the existing regular networks, random networks, small-world networks, and scale-free networks, and has strong generality. The simulation results reveal that this proposed metric can achieve the comparison of various industrial networks under different models.

关键词： industrial network small-scale network large-scale network graph theory system entropy

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Local search yields a PTAS for fixed-dimensional k-means problem with penalties

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Journal of the Operations Research Society of China 2024年第2期12卷 351-362页

作者： Fan Yuan Da-Chuan Xu dong-Lei Du dong-Mei zhang Beijing Institute for Scientific and Engineering Computing Beijing University of TechnologyBeijing 100124China Faculty of Management University of New BrunswickFrederictonNB E3B 9Y2Canada School of Computer Science and Technology Shandong Jianzhu UniversityJinan 250101ShandongChina

We study a problem called the k-means problem with penalties(k-MPWP),which is a natural generalization of the typical k-means *** this problem,we have a set D of client points in R^(d),a set F of possible centers in R^(d),and a penalty cost Pj>O for each point j∈*** are also given an integer k which is the size of the center point *** want to find a center point set S■F with size k,choose a penalized subset of clients P■D,and assign every client in D\P to its open *** goal is to minimize the sum of the squared distances between every point in D\P to its assigned centre point and the sum of the penalty costs for all clients in *** using the multi-swap local search technique and under the fixed-dimensional Euclidean space setting,we present a polynomial-time approximation scheme(PTAS)for the k-MPWP.

关键词： Approximation algorithm k-means Local search Penalty

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