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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

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

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

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

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

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

Jun12682,a potent SARS-CoV-2 papain-like protease inhibitor with exceptional antiviral efficacy in mice

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Acta Pharmaceutica Sinica B 2024年第9期14卷 4189-4192页

作者： Mianling yang Meehyein Kim Peng zhan Department of Medicinal Chemistry Key Laboratory of Chemical Biology(Ministry of Education)School of Pharmaceutical SciencesShandong UniversityJi’nan 250012China Infectious Diseases Therapeutic Research Center Korea Research Institute of Chemical Technology(KRICT)Daejeon 34114Republic of Korea

Recently,a collaborative research study published in Science,led by Jun Wang,Xufang Deng,Eddy Arnold,and Francesc Xavier Ruiz1,identified a series of potent small molecule inhibitors that specifically target SARS-CoV-2 papain-like protease(PLpro).The study demonstrated nanomolar PLpro inhibitory potency with Ki values ranging from 13.2 to 88.2 nmol/*** employing a structure-based drug design strategy,the researchers discovered an exceptionally promising compound,named Jun12682,that effectively targets both the newly discovered ubiquitin Val70(Val70Ub)-binding site and the known blocking loop(BL2)groove near the S4 subsite of ***,studies on the mechanism of action revealed that Jun12682 inhibits the deubiquitinating and deISGylating activities of PLpro,which are crucial for antagonizing the host’s innate immune response upon viral *** biology studies confirmed the“two-pronged”binding mode of Jun12682,aligning perfectly with their drug design ***,Jun12682 exhibited potent antiviral activity against SARS-CoV-2 and its variants,including nirmatrelvir-resistant mutants,in Caco-2 cells(EC50:0.44e2.02 mmol/L).It is noteworthy that its oral administration significantly improved survival rates and alleviated both lung virus loads and histopathological lesions in a lethal SARS-CoV-2 mouse *** conclusion。

关键词： SARS-CoV-2 Papain-like protease Broad-spectrum Anti-drug resistance Drug candidate

Robust textile-based spoof plasmonic frequency scanning antenna for on-body IoT applications

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Science China(Information Sciences) 2024年第8期67卷 269-284页

作者： Zhao-Min CHEN Jun-lin zhan Hao CHEN Ya LI Hongjun HE Wu yang Zhen-Guo LIU Wei-Bing LU State Key Lab of Millimeter Waves School of Information Science and EngineeringSoutheast University Center for Flexible RF Technology Frontiers Science Center for Mobile Information Communication and SecuritySoutheast University Future Research Laboratory China Mobile Research Institute Purple Mountain Laboratories

Securing a comfortable, wearable compact frequency beam scanning antenna(FBSA) with robustness to deformation, low specific absorption rate(SAR), and good coverage of the surrounding environment for Internet of Things(IoT) applications, such as on-body navigation and wireless communication is an emerging challenge. In this work, a robust textile-based spoof plasmonic frequency scanning antenna utilizing higher-order modes is presented, which is also robust to deformation caused by the activities of the human body. The innovative design of the element ensures the high-efficiency transmission of the fundamental mode of spoof surface plasmon polaritons(SSPP) structure, providing the potential of being a multifunctional composite device in the compact on-body network. Besides, an artificial magnetic conductor(AMC) is designed underneath the SSPP structure, obtaining a low SAR value(0.113 W/kg), which ensures the safety of users. As a practical realization of this concept, a textile-based spoof plasmonic antenna was fabricated in the microwave regime and the performed experimental results show the proposed antenna has a single-beam radiation characteristic with a 70° beam scanning angle range when the frequency is 4.7–6.0 GHz with a high average realized gain of 13.15 dBi. And it still maintains a steady performance when faced with structure deformation, which proves its robustness. Wireless communication quality experiments are performed to demonstrate the proposed antenna can measure the angles of targets and realize wireless signal transmission to specific targets as the frequency varies, it may find great potential in the field of on-body IoT applications.

关键词： frequency beam scanning antenna (FBSA) Internet of Things (IoT) on-body communication spoof surface plasmon polaritons (SSPP) textile-based antenna

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