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Revealing the role of electrode potential micro-environments in single Mn atoms for carbon dioxide and oxygen electrolysis

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Nano Research 2024年第9期17卷 7957-7966页

作者： Pengcheng liu anyi liu Kaili Wang Shuai Shi Mengmeng Jin Jingxiu liu Tao Qin Qian liu Xijun liu jia He Tianjin Key Laboratory of Organic Solar Cells and Photochemical Conversion School of Chemistry and Chemical EngineeringInstitute of New-Energy Materials and Low-Carbon TechnologiesSchool of Materials Science and EngineeringTianjin University of TechnologyTianjin 300384China School of Chemistry and Chemical Engineering and Environmental Engineering Weifang UniversityWeifang 261061China Department of Electrical Engineering and Automation Luoyang Institute of Science and TechnologyLuoyang 471023China Institute for Advanced Study Chengdu UniversityChengdu 610106China State Key Laboratory of Featured Metal Materials and life-cycle Safety for Composite Structures Guangxi Key Laboratory of Processing for Non-ferrous Metals and Featured MaterialsSchool of ResourcesEnvironment and MaterialsGuangxi UniversityNanning 530004China

Elucidation the relationship between electrode potentials and heterogeneous electrocatalytic reactions has attracted widespread *** we construct the well-defined Mn single-atom(MnSA)catalyst with four N-coordination through a simple thermal pyrolysis preparation method to investigate the electrode potential micro-environments effect on carbon dioxide reduction reactions(CO_(2)RR)and oxygen reduction reactions(ORR).MnSA catalysts generate higher CO production Faradaic efficiency of exceeding 90%at-0.9 V for CO_(2)RR and higher H_(2)O_(2)yield from 0.1 to 0.6 V with excellent ORR *** functional theory(DFT)calculations based on constant potential models were performed to study the mechanism of MnSA on CO_(2)*** thermodynamic energy barrier of CO_(2)RR is lowest at-0.9 V *** hydrogen electrode(RHE).Similar DFT calculations on the H_(2)O_(2)yield of ORR showed that the H_(2)O_(2)yield at 0.2 V was *** study provides a reasonable explanation for the role of electrode potential micro-environments.

关键词： electrode potential micro-environments Mn single-atom catalyst carbon dioxide reduction reaction oxygen reduction reaction constant potential models

Anderson Acceleration of Gradient Methods with Energy for Optimization Problems

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Communications on Applied Mathematics and Computation 2024年第2期6卷 1299-1318页

作者： Hailiang liu jia-Hao He Xuping Tian Department of Mathematics Iowa State UniversityAmesIAUSA Department of Agricultural and Biosystems Engineering Iowa State UniversityAmesIAUSA

Anderson acceleration(AA)is an extrapolation technique designed to speed up fixed-point *** optimization problems,we propose a novel algorithm by combining the AA with the energy adaptive gradient method(AEGD)[arXiv:2010.05109].The feasibility of our algorithm is ensured in light of the convergence theory for AEGD,though it is not a fixed-point *** provide rigorous convergence rates of AA for gradient descent(GD)by an acceleration factor of the gain at each implementation of *** experimental results show that the proposed AA-AEGD algorithm requires little tuning of hyperparameters and exhibits superior fast convergence.

关键词： Anderson acceleration(AA) Gradient descent(GD) Energy stability

Development and validation of a machine learning-based early prediction model for massive intraoperative bleeding in patients with primary hepatic malignancies

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World Journal of Gastrointestinal Oncology 2024年第1期16卷 90-101页

作者： Jin li Yu-Ming jia Zhi-Lei Zhang Cheng-Yu liu Zhan-Wu jiang Zhi-Wei Hao li Peng Department of Hepatological Surgery The Fourth Hospital of Hebei Medical UniversityShijiazhuang 050011Hebei ProvinceChina Department of General Surgery II Baoding First Central HospitalBaoding 071000Hebei ProvinceChina

BACKGROUND Surgical resection remains the primary treatment for hepatic malignancies,and intraoperative bleeding is associated with a significantly increased risk of ***,accurate prediction of intraoperative bleeding risk in patients with hepatic malignancies is essential to preventing bleeding in advance and providing safer and more effective *** To develop a predictive model for intraoperative bleeding in primary hepatic malignancy patients for improving surgical planning and *** The retrospective analysis enrolled patients diagnosed with primary hepatic malignancies who underwent surgery at the Hepatobiliary Surgery Department of the Fourth Hospital of Hebei Medical University between 2010 and *** regression analysis was performed to identify potential risk factors for intraoperative bleeding.A prediction model was developed using Python programming language,and its accuracy was evaluated using receiver operating characteristic(ROC)curve *** Among 406 primary liver cancer patients,16.0%(65/406)suffered massive intraoperative *** regression analysis identified four variables as associated with intraoperative bleeding in these patients:ascites[odds ratio(OR):22.839;Plirubin score(OR:2.361;Plity to predict intraoperative bleeding were 0.844 in the training set and 0.80 in the prediction *** The developed and validated model predicts significant intraoperative blood loss in primary hepatic malignancies using four preoperative clinical factors by considering four preoperative clinical factors:ascites,history of alcohol consumption,TNM staging,and albumin-bilirubin ***

关键词： Primary liver cancer Intraoperative bleeding Machine learning Model

Analyzing the surface passivity effect of germanium oxynitride:a comprehensive approach through first principles simulation and interface state density

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Nuclear Science and Techniques 2024年第5期35卷 74-84页

作者： Sheng-Jie Du Xiu-Xia li Yang Tian Yuan-Yuan liu Ke jia Zhong-Zheng Tang jian-Ping Cheng Zhi Deng Yu-Lan li Zheng-Cao li Sha-Sha Lv College of Nuclear Science and Technology Joint Laboratory of Jinping Ultra‑Low Radiation Background Measurement of Ministry of Ecology and Environment Key Laboratory of Beam Technology of Ministry of Education Beijing Normal UniversityBeijing Normal UniversityBeijing 100875China Joint Research Center Nuctech Company LimitedBeijing 100084China Department of Engineering Physics Key Laboratory of Particle&Radiation Imaging of Ministry of EducationTsinghua UniversityBeijing 100084China Key Laboratory of Advanced Materials(MOE) School of Materials Science and EngineeringTsinghua UniversityBeijing 100084China

High-purity germanium(HPGe)detectors,which are used for direct dark matter detection,have the advantages of a low threshold and excellent energy *** surface passivation of HPGe has become crucial for achieving an extremely low energy *** this study,first-principles simulations,passivation film preparation,and metal oxide semiconductor(MOS)capacitor characterization were combined to study surface *** calculations of the energy band structure of the -H,-OH,and -NH_(2) passivation groups on the surface of Ge were performed,and the interface state density and potential with five different passivation groups with N/O atomic ratios were accurately analyzed to obtain a stable surface *** on the theoretical calculation results,the surface passivation layers of the Ge_(2)ON_(2) film were prepared via magnetron sputtering in accordance with the optimum atomic ratio *** microstructure,C-V,and I-V electrical properties of the layers,and the passivation effect of the Al/Ge_(2)ON_(2)/Ge MOS were characterized to test the interface state *** mean interface state density obtained by the Terman method was 8.4×10^(11) cm^(-2) eV^(-1).The processing of germanium oxynitrogen passivation films is expected to be used in direct dark matter detection of the HPGe detector surface passivation technology to reduce the detector leakage currents.

关键词： Surface passivation High purity germanium detector Germanium nitrogen oxide Interface state density

维普期刊数据库

Psychometric validation of the Chinese version of the dry eye-related quality-of-life score questionnaire

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International Journal of Ophthalmology(English edition) 2024年第9期17卷 1614-1620页

作者： Yu-Wen liu Shu-jia Guo jia-Ni li Yu-Ting Zhang Wei-Jie Ouyang Yu-Qian Wang Cai-Hong Huang Yi liao jiaoyue Hu Zuguo liu Xiamen University Affiliated Xiamen Eye Center Fujian Provincial Key Laboratory of Ophthalmology and Visual ScienceFujian Engineering and Research Center of Eye Regenerative MedicineEye Institute of Xiamen UniversitySchool of MedicineXiamen UniversityXiamen 361005Fujian ProvinceChina Department of Ophthalmology Xiang’an Hospital of Xiamen UniversityXiamen 361005Fujian ProvinceChina Department of Ophthalmology the First Affiliated Hospital of University of South ChinaHengyang 421001Hunan ProvinceChina

AIM:To psychometrically validate the Chinese version of the dry eye-related quality-of-life score questionnaire(DEQSCHN)among Chinese patients with dry ***:This study involved 231 participants,including 191 with dry eye disease(DED)comprising the dry eye disease group,and 40 healthy participants forming the control *** were required to complete the DEQS-CHN,and Chinese dry eye questionnaire and undergo clinical tests including the fluorescein breakup time(FBUT),corneal fluorescein staining(CFS),and Schirmer I *** assess the internal consistency and retest reliability,Cronbach’sαand the intraclass correlation coefficient(ICC)were *** validity was assessed by item-level content validity index(ICV)and an average scale-level content validity index(S-CVI/Ave).Construct validity was assessed by confirmatory factor *** concurrent validity was assessed by calculating correlations between DEQS-CHN and Chinese dry eye *** validity was evaluated through nonparametric tests,with receiver operating characteristic(ROC)curve serving as conclusive indicators of the questionnaire’s distinguishing ***:The Cronbach’sαcoefficients for frequency and degree of ocular symptoms,impact on daily life,and summary score were 0.736,0.704,0.811,0.818,0.861,and 0.860,respectively,and the ICC were 0.611,0.677,0.715,0.769,0.711,and 0.779,*** I-CVI scores ranged from 0.833 to 1.000,with an S-CVI/Ave of *** factor analysis results exhibited a wellfitting model consistent with the original questionnaire[χ^(2)/df=2.653,incremental fit index(IFI)=0.924,comparative fit index(CFI)=0.924,Tucker-Lewis index(Tli)=0.909,and root mean square error of approximation(RMSEA)=0.065].There was a moderate positive correlation between the DEQS-CHN and the Chinese dry eye questionnaire(r^(2)=0.588).The dry eye group demonstrated significantly higher scores compared to the control group,and the area under

关键词： dry eye quality-of-life questionnaire

SDCC: software-defined collective communication for distributed training

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Science China(Information Sciences) 2024年第9期67卷 105-125页

作者： Xin JIN Zhen ZHANG Yunshan jia Yun MA Xuanzhe liu School of Computer Science Peking University Department of Computer Science and Technology Johns Hopkins University

Communication is crucial to the performance of distributed training. Today's solutions tightly couple the control and data planes and lack flexibility, generality, and performance. In this study, we present SDCC, a software-defined collective communication framework for distributed training. SDCC is based on the principle of modern systems design to effectively decouple the control plane from the data *** abstracts the operations for collective communication in distributed training with dataflow operations and unifies computing and communication with a single dataflow graph. The abstraction, together with the unification, is powerful: it enables users to easily express new and existing collective communication algorithms and optimizations, simplifies the integration with different computing engines(e.g., Py Torch and Tensor Flow) and network transports(e.g., linux TCP and kernel bypass), and allows the system to improve performance by exploiting parallelism exposed by the dataflow graph. We further demonstrate the benefits of SDCC in four use cases.

关键词： machine learning systems distributed training deep learning collective communication software-defined networking

Single pair of charge-2 Dirac and charge-2Weyl phonons in GeO_(2)

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Chinese Physics B 2024年第10期33卷 141-145页

作者： Dong-Chang He jia-Xi liu Pei-Tao liu jiang-Xu li Xing-Qiu Chen 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

The presence of a pair of Weyl and Dirac points(WP-DP)in topological semimetal states is intriguing and sought after due to the effects associated with chiral topological ***,identifying these states in real materials poses a significant *** this study,by means of first-principles calculations we predict the coexistence of charge-2 Dirac and charge-2 Weyl phonons at high-symmetry points within a noncentrosymmetric P4_(1)2_(1)2 space ***,we propose GeO_(2)as an ideal candidate for realizing these ***,we observe two distinct surface arcs that connect the Dirac and Weyl points across the entire Brillouin zone,which could facilitate their detection in future experimental *** study not only presents a tangible material for experimentalists to explore the topological properties of WP-DP states but also opens up new avenues in the quest for ideal platforms to study chiral particles.

关键词： ological phonon Weyl points Dirac points

Paleogene integrative stratigraphy,biotas,and paleogeographical evolution of the Qinghai-Tibetan Plateau and its surrounding areas

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Science China Earth Sciences 2024年第4期67卷 1290-1325页

作者： jia.liU Ai SONG lin DING Tao SU Zhekun ZHOU CAS Key Laboratory of Tropical Forest Ecology Xishuangbanna Tropical Botanical GardenChinese Academy of SciencesMengla 666303China State Key Laboratory of Palaeobiology and Stratigraphy Nanjing Institute of Geology and PalaeontologyChinese Academy of SciencesNanjing 210008China Institute of Paleontology Yunnan UniversityKunming 650500China State Key Laboratory of Tibetan Plateau Earth System Environment and Resources(TPESER)Institute of Tibetan Plateau ResearchChinese Academy of SciencesBeijing 100101China

The Paleogene is a crucial period when terrestrial and marine ecosystems recovered from major disruptions and gradually approached their modern *** the Qinghai-Tibetan Plateau and its surrounding regions,the Paleogene also represents a significant phase of tectonic evolution in the Qinghai-Tibetan Plateau-Himalaya orogeny,reorganization of Asian climates,and evolution of *** to limitations in research conditions and understanding,there are still many controversies regarding stratigraphic divisions in the Qinghai-Tibetan Plateau and its surrounding *** recent years,extensive studies on sedimentary petrology,magnetostratigraphy,and isotope dating have been conducted in the *** fossils have been discovered and reported,contributing to a more systematic understanding of *** studies have laid a solid foundation for the comprehensive investigation of the stratigraphy,biotas and paleogeographic evolution of the Qinghai-Tibetan Plateau and its surrounding regions during the *** this paper,we integrate recent research on fossils,isotopic dating,magnetostratigraphy,and geochemistry to refine the stratigraphic divisions and correlation framework of different tectonic units in the region,building upon previous *** the Second Tibetan Plateau Scientific Expedition and Research,the knowledge of Paleogene floras has gradually *** paper discusses the biostratigraphic significance of extinct and newly appeared taxa based on the latest dating results of these plant *** new understanding of fossil species such as the“Eucalyptus”and Arecaceae establishes connections between the Paleogene flora of the Qinghai-Tibetan region and the biotas of Gondwana,specifically Oceania and South *** evolutionary history of key taxa near the Yarlung Zangbo suture zone indicates that the collision between the Indian and Eurasian plates occurred approximately 65-54 *** reconstructions,based o

关键词： Qinghai-Tibetan Plateau Fossils Biostratigraphy Paleoenvironment Paleogeography Paleogene

维普期刊数据库

The haplotype-resolved genome assembly of autotetraploid rhubarb Rheum officinale provides insights into its genome evolution and massive accumulation of anthraquinones

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Plant Communications 2024年第1期5卷 196-214页

作者： Hongyu Zhang Qiang He Longsheng Xing Ruyu Wang Yu Wang Yu liu Qinghong Zhou Xuanzhao li Zheng jia Ze liu Yuqing Miao Tao lin Wei li Huilong Du School of life Sciences Institute of Life Sciences and Green DevelopmentBasic Science Center for Biotic Interaction in HebeiHebei UniversityBaoding 071000China College of Horticulture China Agricultural UniversityNo.2 Yuanmingyuan West RoadHaidian DistrictBeijing 100193China

Rheum officinale,a member of the Polygonaceae family,is an important medicinal plant that is widely used in traditional Chinese ***,we report a 7.68-Gb chromosome-scale assembly of *** with a contig N50 of 3.47 Mb,which was clustered into 44 chromosomes across four homologous *** genomics analysis revealed that transposable elements have made a significant contribution to its genome evolution,gene copy number variation,and gene regulation and expression,particularly of genes involved in metabolite biosynthesis,stress resistance,and root *** placed the recent autotetraploidization of *** at~0.58 mya and analyzed the genomic features of its homol-ogous *** no dominant monoploid genomes were observed at the overall expression level,numerous allele-differentially-expressed genes were identified,mainly with different transposable element insertions in their regulatory regions,suggesting that they functionally diverged after *** genomics,transcriptomics,and metabolomics,we explored the contributions of gene family amplification and tetraploidization to the abundant anthraquinone production of ***,as well as gene expression patterns and differences in anthraquinone content among *** report of-fers unprecedented genomic resources for fundamental research on the autopolyploid herb *** and guidance for polyploid breeding of herbs.

关键词： Rheum officinale genomics comparative genomics polyploid anthraquinone biosynthesis