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Transfer learning aided high-throughput computational design of oxygen evolution reaction catalysts in acid conditions
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作者 siwen wang Honghong Lin +5 位作者 Yui Wakabayashi Li Qin Zhou Charles A.Roberts Debasish Banerjee Hongfei Jia Chen Ling 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第5期744-757,I0015,共15页
Sluggish oxygen evolution reaction(OER)in acid conditions is one of the bottlenecks that prevent the wide adoption of proton exchange membrane water electrolyzer for green hydrogen production.Despite recent advancemen... Sluggish oxygen evolution reaction(OER)in acid conditions is one of the bottlenecks that prevent the wide adoption of proton exchange membrane water electrolyzer for green hydrogen production.Despite recent advancements in developing high-performance catalysts for acid OER,the current electrocatalysts still rely on iridium-and ruthenium-based materials,urging continuous efforts to discover better performance catalysts as well as reduce the usage of noble metals.Pyrochlore structured oxide is a family of potential high-performance acid OER catalysts with a flexible compositional space to tune the electrochemical capabilities.However,exploring the large composition space of pyrochlore compounds demands an imperative approach to enable efficient screening.Here we present a highthroughput screening pipeline that integrates density functional theory calculations and a transfer learning approach to predict the critical properties of pyrochlore compounds.The high-throughput screening recommends three sets of candidates for potential acid OER applications,totaling 61 candidates from 6912 pyrochlore compounds.In addition to 3d-transition metals,p-block metals are identified as promising dopants to improve the catalytic activity of pyrochlore oxides.This work demonstrates not only an efficient approach for finding suitable pyrochlores towards acid OER but also suggests the great compositional flexibility of pyrochlore compounds to be considered as a new materials platform for a variety of applications. 展开更多
关键词 PYROCHLORE Acid OER HIGH-THROUGHPUT Machine learning
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Research on Practical Pathways of Strengthening Labor Education for College and University Students in the New Era
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作者 siwen wang Peng Li +2 位作者 Liping wang Xuexin wang Yinbiao wang 《Journal of Contemporary Educational Research》 2023年第10期105-112,共8页
Labor education is an essential component of college and university education that can help students to develop a strong work ethic,acquire practical skills,and better understand the value of work.Strengthening labor ... Labor education is an essential component of college and university education that can help students to develop a strong work ethic,acquire practical skills,and better understand the value of work.Strengthening labor education for college and university students is an urgent need of the high-quality development of the society and the internal requirement of promoting the all-round development of individuals.This study analyzes the importance of strengthening labor education for college and university students in the new era and proposes four practical pathways which draw on labor courses and campus activities,social practices,scientific research projects,and internships.After implementing these pathways,a survey of 967 students showed that students’understanding and awareness of labor was deepened,their hands-on skills and interests in science and labor practices were improved,and they became more cordially respectful to the working class.Taken together,the exploration and practice of these pathways helps college and university students to recognize their abilities,strengths,and interests,and guides them to form good labor habits that permeate all aspects of their studies and lives. 展开更多
关键词 Labor education College and university students Strengthening pathways Practice and effect
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Research on Innovative Ways of Integrating Aesthetic Education with Ideological and Political Education in the New Era
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作者 siwen wang Yang Zhang +2 位作者 Xuexin wang Jiwei Feng Yinbiao wang 《Journal of Contemporary Educational Research》 2023年第6期18-25,共8页
Aesthetic education and ideological and political education undertake the educational responsibilities of educating people with beauty and cultivating people with morals,respectively.The innovation of aesthetic educat... Aesthetic education and ideological and political education undertake the educational responsibilities of educating people with beauty and cultivating people with morals,respectively.The innovation of aesthetic education and the reform of ideological and political education have common educational goals and target students.Integrating aesthetic education with ideological and political education can promote the overall healthy development of students,which has both historical and practical significance.In this paper,the importance and characteristics of integrating aesthetic education with ideological and political education in colleges and universities are analyzed from multiple dimensions,and four feasible ways of integrating aesthetic education with ideological and political education are proposed.The latter draws on extracurricular activities,emotional touch,a pleasant aesthetic atmosphere,and educational synergy to improve students’aesthetic literacy and cultivate correct ideological and political concepts among students.A survey of 1,047 students showed that the understanding and acceptance of ideological and political education were strengthened and improved after implementing these innovative integration ways.Taken together,the exploration and practice of these integration ways contribute to expanding the effect of ideological and political education in the new era and constitute important parts of the reform of college and university education in the new journey. 展开更多
关键词 Aesthetic education Ideological and political education Integration ways Practice and effect
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Random heterogeneous microstructure construction of composites via fractal geometry
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作者 siwen wang Zhansheng GUO 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2019年第10期1413-1428,共16页
The microstructures of a composite determine its macroscopic properties. In this study, microstructures with particles of arbitrary shapes and sizes are constructed by using several developed fractal geometry algorith... The microstructures of a composite determine its macroscopic properties. In this study, microstructures with particles of arbitrary shapes and sizes are constructed by using several developed fractal geometry algorithms implemented in MATLAB. A two-dimensional (2D) quadrilateral fractal geometry algorithm is developed based on the modified Sierpinski carpet algorithm. Square-, rectangle-, circle-, and ellipse-based microstructure constructions are special cases of the 2D quadrilateral fractal geometry algorithm. Moreover, a three-dimensional (3D) random hexahedron geometry algorithm is developed according to the Menger sponge algorithm. Cube-and sphere-based mi-crostructure constructions are special cases of the 3D hexahedron fractal geometry algo-rithm. The polydispersities of fractal shapes and random fractal sub-units demonstrate significant enhancements compared to those obtained by the original algorithms. In ad-dition, the 2D and 3D algorithms mentioned in this article can be combined according to the actual microstructures. The verification results also demonstrate the practicability of these algorithms. The developed algorithms open up new avenues for the constructions of microstructures, which can be embedded into commercial finite element method soft-wares. 展开更多
关键词 MICROSTRUCTURE FRACTAL geometry algorithm ARBITRARY shape and size ar-bitrary QUADRILATERAL ARBITRARY HEXAHEDRON
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Insights into electrochemical CO_2 reduction on tin oxides from first-principles calculations
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作者 siwen wang Jiamin wang Hongliang Xin 《Green Energy & Environment》 SCIE 2017年第2期168-171,共4页
Density functional theory calculations were used to unravel the mechanism of CO_2 electroreduction on SnO_x surfaces. Under highly reducing conditions(<-0.6 V vs. RHE), the SnO(101) surface with oxygen vacancies is... Density functional theory calculations were used to unravel the mechanism of CO_2 electroreduction on SnO_x surfaces. Under highly reducing conditions(<-0.6 V vs. RHE), the SnO(101) surface with oxygen vacancies is likely the active phase for CO_2 reduction. We showed that the proton-electron transfer to adsorbed *CO_2 forming *OCHO, a key intermediate for producing HCOOH, is energetically more favorable than the formation of *COOH, justifying the selectivity trends observed on Sn-based electrocatalysts. With linear scaling relations, we propose the free formation energy of *CO_2 at the oxygen vacancy as the reactivity descriptor. By engineering the strain of the SnO(101) surface, the selectivity towards HCOOH can be further optimized at reduced overpotentials. 展开更多
关键词 CO2 electroreduction Tin oxides Strain effect Scaling relations Density functional theory
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METTL9-catalyzed histidine methylation of S100A9 suppresses the anti-Staphylococcus aureus activity of neutrophils
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作者 Dan Cao Mengyue Lv +4 位作者 Chi Hu Shukai Li siwen wang Chao Xu Wen Pan 《Protein & Cell》 SCIE CSCD 2024年第3期223-229,共7页
Dear Editor,Protein histidine methylation has been found to be a widespread post-translational modification(PTM)in mammalian cells and represents more than 13%of all protein methylation events in the human methylome(N... Dear Editor,Protein histidine methylation has been found to be a widespread post-translational modification(PTM)in mammalian cells and represents more than 13%of all protein methylation events in the human methylome(Ning et al.,2016;Kapell and Jakobsson,2021).Recently,we and other groups independently identified METTL9 as the first broad-specificity histidine N1 methyltransferase in mammals(Davydova et al.,2021;Lv et al.,2021).METTL9 methylates a variety of substrates with a common x-His-x-His motif(His is for histidine;the second x is preferably small amino acids:A/C/G/S)and catalyzes methyl transfer to the last histidine. 展开更多
关键词 S100A9 al. SPECIFICITY
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A review of the application of digital identity in the Metaverse
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作者 siwen wang Wei wang 《Security and Safety》 2023年第2期86-95,共10页
The development of the internet has immensely expanded people’s social scope,which has necessitated the utilization of digital identity.In regard to social networks,the utilization of anonymity or pseudonyms increase... The development of the internet has immensely expanded people’s social scope,which has necessitated the utilization of digital identity.In regard to social networks,the utilization of anonymity or pseudonyms increases the attractiveness of the network.Nevertheless,because online payments,online transactions,and online assets are becoming prevalent features,virtualization is gradually exhibiting highly negative impacts.With respect to the Metaverse,digital identity is potentially a key factor,which can influence the balance that affects the association between anonymity and pseudonyms.To enhance the contemporary scenario and to facilitate the potential utilization of digital identity,this study considers the application of digital identity in the Metaverse,and it utilizes the“Enterprise IA”miniature model(Morey et al.).With regard to the current debate on digital identity,we analyzed the most prominent topic;thus,we explored the application rules pertaining to digital identity.We propose that the Metaverse is primarily characterized by its ability to digitalize the physical world.Furthermore,with respect to digital identity,the power of ownership still represents the fundamental issue.Using technologies such as blockchain and privacy filters,we can not only alter the governance logic and methods,but we can also balance the correlation between private rights and public interests.Thus,to solve the burgeoning identity trust crisis,individual competition for identity authorization rights,and privacy problems that characterize the Metaverse,we explore novel governance approaches. 展开更多
关键词 Metaverse Digital Identity RIGHTS SECURITY PRIVACY
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Satellite UV-Vis spectroscopy:implications for air quality trends and their driving forces in China during 2005-2017 被引量:12
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作者 Chengxin Zhang Cheng Liu +6 位作者 Qihou Hu Zhaonan Cai Wenjing Su Congzi Xia Yizhi Zhu siwen wang Jianguo Liu 《Light(Science & Applications)》 SCIE EI CAS CSCD 2019年第1期246-257,共12页
Abundances of a range of air pollutants can be inferred from satellite UV-Vis spectroscopy measurements by using the unique absorption signatures of gas species.Here,we implemented several spectral fitting methods to ... Abundances of a range of air pollutants can be inferred from satellite UV-Vis spectroscopy measurements by using the unique absorption signatures of gas species.Here,we implemented several spectral fitting methods to retrieve tropospheric NO_(2),SO_(2),and HCHO from the ozone monitoring instrument(OMI),with radiative simulations providing necessary information on the interactions of scattered solar light within the atmosphere.We analyzed the spatial distribution and temporal trends of satellite-observed air pollutants over eastern China during 2005-2017,especially in heavily polluted regions.We found significant decreasing trends in NO_(2) and SO_(2) since 2011 over most regions,despite varying temporal features and turning points.In contrast,an overall increasing trend was identified for tropospheric HCHO over these regions in recent years.Furthermore,generalized additive models were implemented to understand the driving forces of air quality trends in China and assess the effectiveness of emission controls.Our results indicated that although meteorological parameters,such as wind,water vapor,solar radiation and temperature,mainly dominated the day-to-day and seasonal fluctuations in air pollutants,anthropogenic emissions played a unique role in the long-term variation in the ambient concentrations of NO_(2),SO_(2),and HCHO in the past 13 years.Generally,recent declines in NO_(2) and SO_(2) could be attributed to emission reductions due to effective air quality policies,and the opposite trends in HCHO may urge the need to control anthropogenic volatile organic compound(VOC)emissions. 展开更多
关键词 driving FORCES SPECTROSCOPY
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Artificial intelligence in gastric cancer:applications and challenges 被引量:3
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作者 Runnan Cao Lei Tang +6 位作者 Mengjie Fang Lianzhen Zhong siwen wang Lixin Gong Jiazheng Li Di Dong Jie Tian 《Gastroenterology Report》 SCIE EI 2022年第1期227-242,共16页
Gastric cancer(GC)is one of the most common malignant tumors with high mortality.Accurate diagnosis and treatment decisions for GC rely heavily on human experts’careful judgments on medical images.However,the improve... Gastric cancer(GC)is one of the most common malignant tumors with high mortality.Accurate diagnosis and treatment decisions for GC rely heavily on human experts’careful judgments on medical images.However,the improvement of the accuracy is hindered by imaging conditions,limited experience,objective criteria,and inter-observer discrepancies.Recently,the developments of machine learning,especially deep-learning algorithms,have been facilitating computers to extract more information from data automatically.Researchers are exploring the far-reaching applications of artificial intelligence(AI)in various clinical practices,including GC.Herein,we aim to provide a broad framework to summarize current research on AI in GC.In the screening of GC,AI can identify precancerous diseases and assist in early cancer detection with endoscopic examination and pathological confirmation.In the diagnosis of GC,AI can support tumor-node-metastasis(TNM)staging and subtype classification.For treatment decisions,AI can help with surgical margin determination and prognosis prediction.Meanwhile,current approaches are challenged by data scarcity and poor interpretability.To tackle these problems,more regulated data,unified processing procedures,and advanced algorithms are urgently needed to build more accurate and robust AI models for GC. 展开更多
关键词 gastric cancer artificial intelligence radiomics ENDOSCOPY computed tomography PATHOLOGY
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New FeNiCrMo(P, C, B) high-entropy bulk metallic glasses with unusual thermal stability and corrosion resistance 被引量:2
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作者 Yanhui Li siwen wang +2 位作者 Xuewei wang Meiling Yin Wei Zhang 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2020年第8期32-39,共8页
New Fe(20–35) Ni(20) Cr(20–30) Mo(5–15)(P(0.6) C(0.2) B(0.2))(20) bulk metallic glasses with excellent thermal stability,strength, and corrosion resistance have been developed through the high-entropy alloy design ... New Fe(20–35) Ni(20) Cr(20–30) Mo(5–15)(P(0.6) C(0.2) B(0.2))(20) bulk metallic glasses with excellent thermal stability,strength, and corrosion resistance have been developed through the high-entropy alloy design strategy.The high-entropy bulk metallic glasses(HE-BMGs) possess larger supercooled liquid regions of ~69 K,higher crystallization onset temperatures of ~852 K, larger undercoolings of ~109 K, and more sluggish crystallization process upon heating than the conventional metallic glass benefited from the high mixing entropy effect. The HE-BMGs also exhibit ultrahigh strength of ~3.4 GPa, Vickers hardness of ~1107,and superior corrosion resistance in acids and Na Cl solutions by formation of highly stable Cr-and Moenriched passive films. The new metal-metalloid HE-BMG system and exceptional properties give the alloys good promise for both scientific and engineering applications. 展开更多
关键词 High-entropy bulk metallic glasses Thermal stability Crystallization Corrosion resistance FeNiCrMo(P C B)alloys
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