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Charge effects on quinoline hydrodenitrogenation catalyzed by Ni-Mo-S active sites-A theoretical study by DFT calculation

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Petroleum Science 2022年第1期19卷 339-344页

作者： Si-Jia Ding Shao-Zhong Peng Zuo-Jie Yan Ji-Feng Wang Shu-Jiao Jiang zhan-lin yang Dalian Research Institute of Petroleum and Petrochemicals SINOPECDalian116041China Fushun Petrochemical Company FushunLiaoning113001China

The charge distribution on Ni-Mo-S active sites can affect hydrodenitrogenation(HDN)*** this study,a series of model Ni-Mo-S were developed with various charge *** comparison,the charge distribution effects on quinoline HDN were *** results show that a lack of electrons and extra protons can both lower the orbital eigenvalue of the Ni-Mo-S,leading to stronger adsorption of nitrogen-containing compounds and inhibition of ammonia *** deficiency will improve the generation of active hydrogen on the active sites but inhibit hydrogen transfer to the nitrogen compounds;extra protons can provide H^(+)to the nitrogen compounds,which will flexibly transfer between the nitrogen compound and active sites,thus improving the cleavage of the C-N bond.

关键词： Charge distribution Ni-Mo-S active Sites Quinoline Hydrodenitrogenation Quantum chemistry calculation

Design and application of copper/lithium composite anodes for advanced lithium metal batteries

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Rare Metals 2024年第3期43卷 942-970页

作者： Bin zhang Ji-Ping Ma yang Zhao Tong Li Jin-lin yang zhan-ling zhang Shi-Zhong Wei Guang-Min Zhou School of Materials Science and Engineering Henan University of Science and TechnologyLuoyang 471003China Shenzhen Geim Graphene Center Tsinghua Shenzhen International Graduate SchoolTsinghua UniversityShenzhen 518055China School of Physical and Mathematical Sciences Nanyang Technological UniversitySingapore 637371Singapore Shenzhen Geim Graphene Center Tsinghua-Berkeley Shenzhen InstituteTsinghua Shenzhen International Graduate SchoolTsinghua UniversityShenzhen 518055China

Lithium(Li)is a promising candidate for nextgeneration battery anode due to its high theoretical specific capacity and low reduction ***,safety issues derived from the uncontrolled growth of Li dendrite and huge volume change of Li hinder its practical application.C onstructing dendrite-free composite Li anodes can significantly alleviate the above ***(Cu)-based materials have bee n widely used as substrates of the composite electrodes due to their chemical stability,excellent conductivity,and good mechanical ***/lithium(Cu/Li)composite anodes significantly regulate the local current density and decrease Li nucleation overp otential,realizing the uniform and dendrite-free Li *** this review,Cu/Li composite methods including electrodeposition,melting infusion,and mechanical rolling are systematically summarized and ***,design strategies of Cu-based current collectors for high performance Cu/Li composite anodes are *** challenges and future development for Cu/Li composite anodes are presented and *** hope that this review can provide a comprehensive understanding of Cu/Li composite methods of the latest development of Li metal anode and stimulate more research in the future.

关键词： Lithium metal batteries Cu/Li composite anode Electrodeposition Thermal melting infusion Mechanical rolling

A Review on the Mullins Effect in Tough Elastomers and Gels

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Acta Mechanica Solida Sinica 2024年第2期37卷 181-214页

作者： lin zhan Shaoxing Qu Rui Xiao MOE Key Lab of Disaster Forecast and Control in Engineering College of Mechanics and Construction EngineeringJinan UniversityGuangzhou510632China State Key Laboratory of Fluid Power and Mechatronic System Key Laboratory of Soft Machines and Smart Devices of Zhejiang ProvinceDepartment of Engineering MechanicsZhejiang UniversityHangzhou310027China

Tough elastomers and gels have garnered broad research interest due to their wide-ranging potential ***,during the loading and unloading cycles,a clear stress softening behavior can be observed in many material systems,which is also named as the Mullins *** this work,we aim to provide a complete review of the Mullins effect in soft yet tough materials,specifically focusing on nanocomposite gels,double-network hydrogels,and multi-network *** first revisit the experimental observations for these soft *** then discuss the recent developments of constitutive models,emphasizing novel developments in the damage mechanisms or network *** phenomenological models will also be briefly *** attention is then placed on the anisotropic and multiaxial modeling *** is demonstrated that most of the existing models fail to accurately predict the multiaxial data,posing a significant challenge for developing future anisotropic models tailored for tough gels and elastomers.

关键词： Mullins effect Double-network hydrogels Nanocomposite gels Multi-network elastomers Anisotropic damage model Multiaxial model

More than just aligning the teeth:Clear aligners with multifunctional prowess

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Nano Research 2024年第8期17卷 7665-7674页

作者： yang Chen Lei-Ming Cao Nian-Nian Zhong Zi-zhan Li lin-lin Bu Fang-Yi Huo Hong He State Key Laboratory of Oral and Maxillofacial Reconstruction and Regeneration Key Laboratory of Oral Biomedicine Ministry of EducationHubei Key Laboratory of StomatologySchool and Hospital of StomatologyWuhan UniversityWuhan 430079China Department of Oral and Maxillofacial-Head Neck Oncology School and Hospital of StomatologyWuhan UniversityWuhan 430079China Department of Zhuankou Clinical Branches School and Hospital of StomatologyWuhan UniversityWuhan 430000China Department of Orthodontics School and Hospital of StomatologyWuhan UniversityWuhan 430079China

With the increasing demand for beauty and health,clear aligners(CAs)have been widely applied among patients with ***,patients treated with CAs also face some potential complications,such as demineralization,dental caries,and periodontal *** addition,some patients have additional needs to improve their quality of life,such as bleaching *** order to prevent or solve these problems,the modification of CAs is a promising method because their extensive long-term contact with tooth surfaces makes them ideal devices for implementing adjuvant medical *** this review,we discuss various advanced CAs with medical functions based on the clinical needs of *** far as we know,the additional functions of CAs mainly include antibacterial,remineralization,whitening,and accelerating tooth *** functions are achieved by two major pathways,the combination of CAs with drugs/biomaterials and increasing the capacity or affinity of *** addition,we discuss the current limitations of in vitro experiments which are designed to explore the effectiveness and properties of novel CAs,and the challenges of bringing a multifunctional appliance from proposal to clinical *** the end of this review,we provide insights into the broader prospects for the improvement of CAs.

关键词： advanced clear aligners medical device modification drug delivery system personalized medicine

Late Cenozoic uplift of the Liupan Mountains:Evidence from the Neogene loess deposits

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Science China Earth Sciences 2024年第5期67卷 1480-1488页

作者： Zhilin HE Yansong QIAO Zhengtang GUO Chaoqin CHEN Long CHEN yang FU Ye yang Yanxia LIANG Xinru lin Guoqiao XIAO Tao zhan Key Laboratory of Cenozoic Geology and Environment Institute of Geology and GeophysicsChinese Academy of SciencesBeijing 100029China Institute of Geomechanics Chinese Academy of Geological SciencesBeijing 100081China CAS Center for Excellence in Life and Paleoenvironment Beijing 100044China University of Chinese Academy of Sciences Beijing 100049China Institute of Ecological Geology Survey and Research of Heilongjiang Province Harbin 150030China School of Geography and Information Engineering China University of GeosciencesWuhan 430078China School of Earth Sciences China University of GeosciencesWuhan 430074China Natural Resources Survey Institute of Heilongjiang Province Harbin 150036China

The Liupan Mountains,one of the important mountain ranges in western China,are located on the boundary between the northeastern Tibetan Plateau and the Ordos *** uplift history of the Liupan Mountains remains *** deposits are good tracers of regional tectonic and geomorphic changes,because loess is sensitive to erosion and the formation and preservation of loess requires relatively flat highlands and relatively stable tectonic *** investigated the distribution of Neogene loess deposits on the western piedmont of the Liupan Mountains and examined a near-continuous loess section(Nanping section)on the piedmont alluvial *** of magnetic susceptibility stratigraphy with the QA-ⅠMiocene loess sequence dates this 56-m section covering the interval from~8.1 to 6.2 *** lower boundary age of this section,together with previously reported Zhuanglang red clay(sand-gravel layers with intercalated loess during~9–8 Ma and near-continuous loess during~8–4.8 Ma)and Chaona red clay(~8.1–2.58 Ma),indicates that the Liupan Mountains were uplifted in the late Miocene(~9–8 Ma)and basically formed by~8 Ma,attesting to no intense mountain building since that *** addition,based on the information from the Zhuanglang core and the QA-Ⅰsection,we infer that sizable parts of the Liupan Mountains were uplifted during the late Oligocene–early Miocene and did not experience intense uplift during~22–9 Ma.

关键词： Liupan Mountains Mountain building Neogene Loess Chinese Loess Plateau Late Miocene Late Oligocene–early Miocene

Regulation of Tumor Microenvironment Under Malignant Conditions:Application of nMOFs in Sonodynamic Therapy

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Chemical Research in Chinese Universities 2024年第4期40卷 611-626页

作者： yang Yilin YAN Fei SHI zhan State Key Laboratory of Inorganic Synthesis and Preparative Chemistry College of ChemistryJilin UniversityChangchun130012P.R.China

In this review,we delve into the intricate regulation of the tumor microenvironment(TME)under malignant conditions and explore the transformative potential of nanoscale metal-organic frameworks(nMOFs)in the realm of sonodynamic therapy(SDT).The TME serves as a dynamic milieu influencing tumor progression and therapeutic response,presenting formidable challenges,such as hypoxia,acidity,excess hydrogen peroxide,high expression of glutathione,and *** the exceptional attributes of nMOFs,including their tunable structures and biocompatibility,holds immense promise for enhancing SDT efficacy and reshaping the TME *** integrating nMOFs with SDT,researchers aim to assemble multiple functionalities in a single platform that enhance tumor cell eradication while counteracting unfavorable TME conditions and immune *** potential of nMOFs to revolutionize tumor therapies by precisely targeting TME and overcoming therapeutic barriers is underscored by an in-depth analysis of recent breakthroughs in the use of nMOFs-based sonosensitizers to remodulate TME to amplify the efficacy of SDT.

关键词： Sonodynamic therapy Metal-organic framework Tumor microenvironment Modification of sonosensitizer

Stabilizing iridium sites via interface and reconstruction regulations for water oxidation in alkaline and acidic media

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Journal of Energy Chemistry 2024年第2期89卷 355-363,I0009页

作者： Weibin Chen Yanhui Song Lei Li Junjie Guo zhan lin Guangdong Provincial Key Laboratory of Plant Resources Biorefinery School of Chemical Engineering and Light IndustryGuangdong University of TechnologyGuangzhou 510006GuangdongChina Key Laboratory of Interface Science and Engineering in AdvancedMaterials Ministry of EducationTaiyuan University of TechnologyTaiyuan 030024ShanxiChina

Exploring effective iridium(Ir)-based electrocatalysts with stable iridium centers is highly desirable for oxygen evolution reaction(OER).Herein,we regulated the incorporation manner of Ir in Co_(3)O_(4)support to stabilize the Ir sites for effective *** anchored on the surface of Co_(3)O_(4)in the form of Ir(OH)_6 species,the created Ir-OH-Co interface leads to a limited stability and poor acidic OER due to Ir *** doped into Co_(3)O_(4)lattice,the analyses of X-ray absorption spectroscopy,in-situ Raman,and OER measurements show that the partially replacement of Co in Co_(3)O_(4)by Ir atoms inclines to cause strong electronic effect and activate lattice oxygen in the presence of Ir-O-Co interface,and simultaneously master the reconstruction effect to mitigate Ir dissolution,realizing the improved OER activity and stability in alkaline and acidic *** a result,Ir_(lat)@Co_(3)O_(4)with Ir loading of 3.67 wt%requires 294±4 mV/285±3 mV and 326±2 mV to deliver 10 mA cm^(-2)in alkaline(0.1 M KOH/1.0 M KOH)and acidic(0.5 M H_(2)SO_(4))solution,respectively,with good stability.

关键词： Interface effect Reconstruction Ir dissolution Ir-O-Co Oxygen evolution reaction

Dissolved organic matter accelerates microbial degradation of 17 alpha-ethinylestradiol in the presence of iron mineral

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Journal of Environmental Sciences 2024年第5期139卷 364-376页

作者： Huan He Min Shi Xiaoxia yang Juhong zhan Yanting lin Ziwei Guo Zhicheng Liao Chaochao Lai Xiaomin Ren Bin Huang Xuejun Pan Faculty of Environmental Science and Engineering Kunming University of Science and TechnologyKunming 650500China Yunnan Provincial Key Lab of Soil Carbon Sequestration and Pollution Control Kunming 650500China Research Institute for Environmental Innovation(Suzhou)Tsinghua Suzhou 215163China

Dissolved organic matter(DOM)and iron minerals widely existing in the natural aquatic environment can mediate the migration and transformation of organic ***,the mechanism of interaction between DOM and iron minerals in the microbial degradation of pollutants deserves further *** this study,the mechanism of 17 alphaethinylestradiol(EE2)biodegradation mediated by humic acid(HA)and three kinds of iron minerals(goethite,magnetite,and pyrite)was *** results found that HA and iron minerals significantly accelerated the biodegradation process of EE2,and the highest degradation efficiency of EE2(48%)was observed in the HA-mediated microbial system with pyrite under aerobic ***,it had been demonstrated that hydroxyl radicals(HO·)was the main active substance responsible for the microbial degradation of ***·is primarily generated through the reaction between hydrogen peroxide secreted by microorganisms and Fe(II),with aerobic conditions being more *** presence of iron minerals and HA could change the microbial communities in the EE2 biodegradation *** findings provide new information for exploring the migration and transformation of pollutants by microorganisms in iron-rich environments.

关键词： Dissolved organic matter Iron mineral 17 alpha-ethinylestradiol Biodegradation

Irreducible Representations of GL_(n)(C)of Minimal Gelfand-Kirillov Dimension

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Acta Mathematica Sinica,English Series 2024年第3期40卷 639-657页

作者： zhan Qiang BAI yang yang CHEN Dong Wen LIU Bin Yong SUN School of Mathematical Sciences Soochow UniversitySuzhou 215006P.R.China School of Sciences JiangnanUniversityWui214122P.R.China School of Mathematical Sciences Zhejiang UniversityHangzhou 310058P.R.China Institute for Advanced Study in Mathematics Zhejiang UniversityHangzhou 310058P.R.China

In this article,by studying the Bernstein degrees and Goldie rank polynomials,we es-tablish a comparison between the irreducible representations of G=GL_(n)(C)possessing the minimal Gelfand-Kirillov dimension and those induced from finite-dimensional representations of the maximal parabolic subgroup of G of type(n-1,1).We give the transition matrix between the two bases for the corresponding coherent families.

关键词： Bernstein degree coherent continuation Gelfand-Kirillov dimension