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Building Simulation 2024年第6期17卷 1023-1036页

作者： Baotian Chang Jianchao Zhang Yingying Geng Jiarui Li Doudou Miao Nan Zhang Beijing Key Laboratory of green Built Environment and Energy Efficient Technology Beijing University of TechnologyBeijing100124China

The global prevalence of infectious diseases has emerged as a significant challenge in recent *** transmission is a potential transmission route of most gastrointestinal and respiratory infectious diseases,which is related to surface touch *** observation,the traditional method of surface touching data collection,is characterized by limited accuracy and high labor *** this work,we proposed a methodology based on machine learning technologies aimed at obtaining high-accuracy and low-labor-cost surface touch behavioral data by means of sensor-based contact *** touch sensing device,primarily utilizing a film pressure sensor and Arduino board,is designed to automatically detect and collect surface contact data,encompassing pressure,duration and *** make certain the surface touch behavior and to describe the behavioral data more accurately,six classification algorithms(*** Vector Machine and Random Forest)have been trained and tested on an experimentally available dataset containing more than 500 surface *** classification results reported the accuracy of above 85%for all the six classifiers and indicated that Random Forest performed best in identifying surface touch behaviors,with 91.8%accuracy,91.9%precision and 0.98 *** study conclusively demonstrated the feasibility of identifying surface touch behaviors through film pressure sensor-based data,offering robust support for the calculation of viral load and exposure risk associated with surface transmission.

关键词： surface transmission touch behavior film pressure sensor random forest infectious disease

Etching Mechanism of Ti_(3)C_(2)Cl_(2) MXene Phases by CuCl_(2)-Lewis Molten Salt Method

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Journal of Wuhan University of Technology(Materials Science) 2024年第4期39卷 863-868页

作者：严明 ZHU Yu HUANG Jiangtao CHEN Haoyu DENG Yuxiao CHEN Yanlin 王娟 Jan-Michael Albina Hubei Provincial Key Laboratory of green Materials for Light Industry Hubei University of TechnologyWuhan 430068China New Materials and green Manufacturing Talent Introduction and Innovation Demonstration Base Hubei University of TechnologyWuhan 430068China Hubei Longzhong Laboratory Xiangyang 441000China

We described a method for obtaining fluorine-free Ti_(3)C_(2)Cl_(2)MXene phases by melting copper in CuCl_(2)instead of aluminum in Ti_(3)AlC_(2).XRD results show that when molten salt CuCl_(2)etches Ti_(3)AlC_(2),it forms an intermediate product Ti_(3)CuC_(2),and then reacts with Ti_(3)CuC_(2)to obtain Ti_(3)C_(2)Cl_(2).The reaction of Ti_(3)AlC_(2)and CuCl_(2)at a temperature of 800℃for 2 h to obtain Ti_(3)C_(2)Cl_(2)with an optimal lamellar structure is shown in SEM *** pseudopotential plane-wave(PP-PW)method is used to calculate on the electronic *** etching mechanism is investigated by the total energies of each *** chemical reaction of Ti_(3)AlC_(2)and CuCl_(2)will first become Ti_(3)CuC_(2)and Cu,and then become Ti_(3)C_(2)Cl_(2)during the Lewis acid etching process,which are consistent with the experimental results.

关键词： molten salt method CuCl_(2) MXene first-principles calculations etching mechanism

Antagonism effect of residual S triggers the dual-path mechanism for water oxidation

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Journal of Energy Chemistry 2024年第6期93卷 568-579,I0014页

作者： Li Liu Jinming Cao Siqi Hu Tinghui Liu Can Xu Wensheng Fu Xinguo Ma Xiaohui Yang Chongqing Key Laboratory of green Catalytic Materials and Technology College of ChemistryChongqing Normal UniversityChongqing 401331China School of Science Hubei University of TechnologyWuhan 430068HubeiChina Chongqing institute of green and Intelligent Technology Chinese Academy of SciencesChongqing 400714China

Transition metal chalcogenides(TMCs)are recognized as pre-catalysts,and their(oxy)hydroxides derived from electrochemical reconstruction are the active species in the water ***,understanding the role of the residual chalcogen in the reconstructed layer is lacking in detail,and the corresponding catalytic mechanism remains ***,taking Cu_(1-x)Co_(x)S as a platform,we explore the regulating effect and existence form of the residual S doped into the reconstructive layer for oxygen evolution reaction(OER),where a dual-path OER mechanism is ***-principles calculations and operando~(18)O isotopic labeling experiments jointly reveal that the residual S in the reconstructive layer of Cu_(1-x)Co_(x)S can wisely balance the adsorbate evolution mechanism(AEM)and lattice oxygen oxidation mechanism(LOM)by activating lattice oxygen and optimizing the adsorption/desorption behaviors at metal active sites,rather than change the reaction mechanism from AEM to *** such a dual-path OER mechanism,Cu_(0.4)Co_(0.6)S-derived Cu_(0.4)Co_(0.6)OSH not only overcomes the restriction of linear scaling relationship in AEM,but also avoids the structural collapse caused by lattice oxygen migration in LOM,so as to greatly reduce the OER potential and improved stability.

关键词： Electrochemical reconstruction Adsorbate evolution mechanism Lattice oxygen oxidation mechanism Oxygen evolution reaction Residual sulfur

Dependence of impact regime boundaries on the initial temperatures of projectiles and targets

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Defence Technology（防务技术） 2024年第1期31卷 49-57页

作者： Stefano Signetti Andreas Heine Fraunhofer-institut für Kurzzeitdynamik Ernst-Mach-InstitutEMIErnst-Zermelo-Str.479104 Freiburg im BreisgauGermany

Towards higher impact velocities,ballistic events are increasingly determined by the material *** effects might range from moderate thermal softening to full phase *** particular,it is of great interest to quantify the conditions for incipient or full melting of metals during impact interactions,which result in a transition from still strength-affected to hydrodynamic material *** this work,we investigate to which extent the respective melting thresholds are also dependent on the initial,and generally elevated,temperatures of projectiles and targets before *** is studied through the application of a model developed recently by the authors to characterize the transition regime between high-velocity and hypervelocity impact,for which the melting thresholds of materials were used as the defining *** obtained results are expected to be of general interest for ballistic application cases where projectiles or targets are *** conditions might result,for example,from aerodynamic forces acting onto a projectile during atmospheric flight,explosive shapedcharge-jet formation or armor exposure to environmental *** performed analyses also broaden the scientific understanding of the relevance of temperature in penetration events,generally known since the 1960s,but often not considered thoroughly in impact studies.

关键词： Ballistic impact Thermal effects Metallic targets Energy partitioning Homologous temperature

Recent advances in post-chiroptical manipulation of supramolecular aggregates assembled with molecular modules

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Science China Chemistry 2024年第9期67卷 2842-2863页

作者： Yanling Shen Wanhua Wu Zhipeng Yu Cheng Yang Key Laboratory of green Chemistry&Technology of Ministry of Education College of Chemistry InstitutionSichuan UniversityChengdu 610064China

Recently,various supramolecular assembly systems have been identified where the pre-existing chiral supramolecular structure can be manipulated through environmental adjustments,such as temperature,solvent,and *** changes result in diverse microscopic morphologies during the assembly process and induce chiroptical variations,particularly in circular dichroism(CD)and circularly polarized luminescence(CPL)*** chiroptical properties serve as direct indicators of the chiral supramolecular structure and hold promise for applications in sensing,molecular recognition,asymmetric synthesis,and material *** review focuses on research published in the last five years,highlighting instances where assembled structures aggregated by small organic molecular modules demonstrate in-situ chiroptical changes through external condition *** categorizes and discusses different modes of regulation,aiming to offer insights and guidelines for exploring dynamic changes in assembly processes and designing in-situ adjustable structures of assembly modules.

关键词： supramolecular assemblies post-chiroptical manipulation in-situ structural changes

Chiral boryl radical catalyzed asymmetric radical cycloisomerization

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Science China Chemistry 2024年第7期67卷 2121-2123页

作者： Jiamiao Jin Shi-Chao Ren Yonggui Robin Chi National Key Laboratory of green Pesticide Key Laboratory of Green Pesticide and Agricultural BioengineeringMinistry of EducationGuizhou UniversityGuiyang 550025China School of Chemistry Chemical Engineeringand BiotechnologyNanyang Technological UniversitySingapore 637371Singapore

Asymmetric catalytic organic synthesis is of profound importance in modern research and industries,providing optically enriched molecules with diverse structures and functions[1].Enzymes,transition metal complexes,and simple organic molecules have all been found as powerful catalysts that enable the bond breaking and forming events with excellent control over stereo-selectivity *** the realm of designed small molecule organic catalysts.

关键词： radical catalyzed asymmetric

Asymmetric Nucleophilic Additions Promoted by Quaternary Phosphonium Ion-Pair Catalysts

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CCS Chemistry 2024年第9期6卷 2110-2130页

作者： Lingzhu Chen Youlin Deng Tingting Li Deyu Hu Xiaoyu Ren Tianli Wang State Key Laboratory of green Pesticide Key Laboratory of Green Pesticide and Agricultural BioengineeringMinistry of EducationCenter for R&D of Fine ChemicalsGuizhou UniversityGuiyang 550025 Key Laboratory of green Chemistry&Technology of Ministry of Education College of ChemistrySichuan UniversityChengdu 610064

Chiral quaternary phosphonium ion-pair catalysis showcases a distinctive catalytic and stereoinductive mode arising from the synergy between ionic and noncovalent *** recent decades,this methodology has been widely adopted to facilitate enantioselective nucleophilic addition reactions,including conjugate addition,Henry reaction,Mannich reaction,Strecker reaction,and *** strategy has been successfully applied to the synthesis of numerous structurally diverse and multifunctionalized molecules,featuring challenging stereogenic *** minireview specifically highlights the accomplishments in asymmetric nucleophilic addition facilitated by chiral quaternary phosphonium *** purpose is to cultivate interest among researchers,encouraging more engagement in this field and establishing quaternary phosphonium ion-pair catalysis as a potent and dependable tool for synthetic and pharmaceutical chemists.

关键词： quaternary phosphonium salts ion-pair catalysts asymmetric synthesis organocatalysis nucleophilic addition

Novel self-assembled porous yolk-shell NiO nanospheres with excellent electrochromic performance for smart windows

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Particuology 2024年第1期84卷 72-80页

作者： Baoshun Wang Ya Huang Siming Zhao Run Li Di Gao Hairong Jiang Rufan Zhang Beijing Key Laboratory of green Chemical Reaction Engineering and Technology Department of Chemical EngineeringTsinghua UniversityBeijing100084China

With the rapid development of optoelectronics,electrochromic(EC)materials(ECMs)with the advan-tages of low power consumption,easy viewing,high contrast ratio,etc have attached more and more attention from the fields of smart windows,electronic billboards,emerging wearable and portable electronics,and other next-generation *** oxide(NiO)is a promising candidate for high-performance ECMs because of its neutral-colored states and low ***,NiO-based ECMs still face the problem of slow switching speed due to their low electrical conductivity and small lattice ***-organic frameworks(MOFs)are promising candidates to fabricate hollow and porous transition metal oxides(TMOs)with high ion transport efficiency,excellent specific capacitance,and electrochemical *** this work,porous yolk-shell NiO nanospheres(PYS-NiO NSs)were syn-thesized via a solvothermal and subsequent calcination process of Ni-MOF,which exhibited outstanding EC *** the large specific surface areas and hollow porous nanostructures were conducive to ionic transport,PYS-NiO NSs exhibited a fast coloring/bleaching speed(3.6/3.9 s per one coloring/bleaching cycle)and excellent cycling stability(82%of capacity retention after 3000 cycles).These superior EC properties indicated that the PYS-NiO NSs was a promising candidate for high-performance EC *** work provides a new and feasible strategy for the efficient preparation of TMOs ECMs with good EC performance,especially fast switching speed.

关键词： Electrochromic Nickel oxide Metal-organic frameworks Hollow structure Smart windows

Crafting host materials for narrowband blue OLEDs with low efficiency roll-off by the medium-ring strategy

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Science China Chemistry 2024年第10期67卷 3265-3270页

作者： Yuanyuan Bao Anping Luo Jingbo Lan Junjie Liu Zhengyang Bin Jingsong You Key Laboratory of green Chemistry and Technology of Ministry of Education College of ChemistrySichuan UniversityChengdu 610064China

The pursuit of high-performance narrowband blue organic light-emitting diodes(OLEDs)is of paramount importance in both academic research and industrial *** obvious strides have been made in the design of narrowband blue emitters,the development of appropriate host materials has evidently trailed ***,we introduce a medium-ring strategy for crafting host molecules based on the heptagonal tribenzo[b,d,f]azepine(TBA)*** twisted three-dimensional(3D)architecture of the TBA framework not only endows the host molecules with fast hole-transporting pathways but also effectively reduces exciton *** with two TBA units,DTBA,synthesized with ease,demonstrates a huge horizontal orientation factor(Θ//)of 93.5%and a broad emission spectrum for accelerating the energy transfer process in the emitting layer,which contributes to enhancing device *** have fabricated high-performance narrowband blue OLEDs using DTBA as the host,FIrpic as the phosphor sensitizer,and the widely used boron-nitrogen-containing multiple resonance emitter *** devices exhibit a maximum external quantum efficiency(EQEmax)as high as 31.0%with an impressively lowefficiency *** at a high luminance level of 10,000 cd m^(-2),the EQE value remains noteworthy at 20.3%,marking a significant advancement in BCz-BN-based devices.

关键词： host molecule blue organic light-emitting diode low-efficiency roll-off multiple resonance C–H activation

Enones from aldehydes and alkenes by carbene-catalyzed dehydrogenative couplings

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Chinese Chemical Letters 2024年第9期35卷 150-154页

作者： Kun Tang Fen Su Shijie Pan Fengfei Lu Zhongfu Luo Fengrui Che Xingxing Wu Yonggui Robin Chi National Key Laboratory of green Pesticide Key Laboratory of Green Pesticide and Agricultural BioengineeringMinistry of EducationGuizhou UniversityHuaxi DistrictGuiyang 550025China School of chemistry Chemical Engineeringand BiotechnologyNanyang Technological UniversitySingapore 637371Singapore

Enones are widely explored in synthetic chemistry as fundamental building blocks for a wide range of reactions and exhibit intriguing biological activities that are pivotal for drug *** development of synthetic strategies for highly efficient preparation of enones thereby receives intense attention,in particular through the transition metal-catalyzed coupling ***,we describe a carbene-catalyzed cross dehydrogenative coupling(CDC)reaction that enables effective assembly of simple aldehydes and alkenes to afford a diverse set of enone ***,the in situ generated aryl radical is pivotal to“activate”the alkene by forming an allyl radical through intermolecular hydrogen atom transfer(HAT)pathway and thus forging the carbon-carbon bond formation with aldehyde as the acyl ***,our method represents the first example on the enone synthesis through coupling of“non-functionalized”aldehydes and alkenes as coupling partners,and offers a distinct organocatalytic pathway to the transition metal-catalyzed coupling transformations.

关键词： Enones Cross dehydrogenative coupling N-Heterocyclic carbene Aryl radical Hydrogen atom transfer