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Superatom-assembled boranes,carboranes,and low-dimensional boron nanomaterials based on aromatic icosahedral B_(12)and C_(2)B_(10)

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Nano Research 2024年第7期17卷 6734-6740页

作者： qiao-qiao Yan Yan-Fang Wei Qiang Chen yue-Wen Mu Si-Dian Li Institute of Molecular Science Shanxi UniversityTaiyuan 030006China

Using the experimentally known aromatic icosahedral superatoms I_(h)B_(12)H_(12)2−and D_(5d)1,12-C_(2)B_(10)H_(12)as building blocks and based on extensive density functional theory calculations,we predict herein a series of core–shell superpolyhedral boranes and carboranes in a bottom-up approach,including the high-symmetry Th B_(12)@B_(152)H_(72)2−(2),C2h C_(2)B_(10)@B_(152)H_(72)(3),D_(3d)B_(12)@B_(144)H_(66)(4),I_(h)B_(12)@C_(24)B_(12)0H_(72)2−(6),and D_(5d)C_(2)B_(10)@C_(24)B_(12)0H_(72)(7).More interestingly,the superatom-assembled linear D2h B_(36)H_(32)^(2−)(8),close-packed planar D_(3d)B_(84)H_(60)^(2−)(10),and nearly close-packed core−shell D_(3d)B_(12)@B144H_(6)6(4)can be extended periodically to form the one-dimensional(1D)α-rhombohedral borane nanowire B_(12)H_(10)(Pmmm)(9),two-dimensional(2D)α-rhombohedral monolayer borophane B_(12)H_(6)(P m1)(11),and the experimentally known three-dimensional(3D)α-rhombohedral boron(R m)(12)which can be viewed as an assembly of the monolayer B_(12)H_(6)(11)staggered in vertical direction,setting up a bottom-up strategy to form low-dimensional boron-based nanomaterials from their borane“seeds”via partial or complete *** bonding analyses indicate that the high stability of these nanostructures originates from the spherical aromaticity of their icosahedral B_(12)or C_(2)B_(10)structural units which possess the universal skeleton electronic configuration of 1S21P61D101F8 following the Wade’s n+1 *** infrared(IR)and Raman spectra of the most-concerned neutral B_(12)@B144H_(6)6(4)and C_(2)B_(10)@C_(24)B_(12)0H_(72)(7)are computationally simulated to facilitate their experimental characterizations.

关键词： superatom-assembling bottom-up approach density functional theory superpolyhedral boranes superpolyhedral carboranes borophanes

Smart Gait:A Gait Optimization Framework for Hexapod Robots

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Chinese Journal of Mechanical Engineering 2024年第1期37卷 146-159页

作者： Yunpeng Yin Feng Gao qiao Sun yue Zhao Yuguang Xiao State Key Laboratory of Mechanical System and Vibration School of Mechanical EngineeringShanghai Jiao Tong UniversityShanghai 200240China Lenovo Corporation ShanghaiChina AI Institute School of Electronic Information and Electrical EngineeringShanghai Jiao Tong UniversityShanghai 200240China

The current gait planning for legged robots is mostly based on human presets,which cannot match the flexible characteristics of natural *** paper proposes a gait optimization framework for hexapod robots called Smart *** Gait contains three modules:swing leg trajectory optimization,gait period&duty optimization,and gait sequence *** full dynamics of a single leg,and the centroid dynamics of the overall robot are considered in the respective *** Smart Gait not only helps the robot to decrease the energy consumption when in locomotion,mostly,it enables the hexapod robot to determine its gait pattern transitions based on its current state,instead of repeating the formalistic clock-set step *** Smart Gait framework allows the hexapod robot to behave nimbly as a living animal when in 3D movements for the first *** Smart Gait framework combines offline and online optimizations without any fussy data-driven training procedures,and it can run efficiently on board in real-time after *** experiments are carried out on the hexapod robot *** results show that the energy consumption is reduced by 15.9%when in *** gait patterns can be generated spontaneously both in regular and challenge environments,and when facing external interferences.

关键词： Gait optimization Swing trajectory optimization Legged robot Hexapod robot

Digital monitoring of rotary-percussive drilling with down-the-hole hammer for profiling weathered granitic ground

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第5期16卷 1615-1636页

作者： Wendal Victor yue Siyuan Wu Manchao He Yafei qiao Zhongqi Quentin yue Department of Geotechnical Engineering College of Civil EngineeringTongji UniversityShanghai200092China Department of Civil Engineering Faculty of EngineeringThe University of Hong KongPokfulam RoadHong KongChina State Key Laboratory for Geomechanics and Deep Underground Engineering China University of Mining and TechnologyBeijing100083China Key Laboratory of Geotechnical and Underground Engineering of Ministry of Education Tongji UniversityShanghai200092China

Rock and geotechnical engineering investigations involve drilling holes in ground with or without retrieving soil and rock samples to construct the subsurface ground *** the basis of an actual soil nailing drilling for a slope stability project in Hong Kong,this paper further develops the drilling process monitoring(DPM)method for digitally profiling the subsurface geomaterials of weathered granitic rocks using a compressed airflow driven percussive-rotary drilling machine with down-the-hole(DTH)*** transducers are installed on the drilling machine and record the chuck displacement,DTH rotational speed,and five pressures from five compressed airflows in real-time *** mechanism and operations of the drilling machine are elaborated in detail,which is essential for understanding and evaluating the drilling data.A MATLAB program is developed to automatically filter the recorded drilling data in time series and classify them into different drilling processes in sub-time *** processes include penetration,push-in with or without rod,pull-back with or without rod,rod-tightening and *** drilling data are further reconstructed to plot the curve of drill-bit depth versus the net drilling time along each of the six *** curve is found to contain multiple linear segments with a constant penetration rate,which implies a zone of homogenous geomaterial with different weathering *** effect from fluctuation of the applied pressures is evaluated *** analyses are presented for accurately assess and verify the underground profiling and strength in weathered granitic rock,which provided the basis of using DPM method to confidently assess drilling measurements to interpret the subsurface profile in real time.

关键词： Drilling process monitoring(DPM) Down-the-hole(DTH)hammer Percussive-rotary drilling Weathering granitic rocks

Nitrogen-doped titanium dioxide/schwertmannite nanocomposites as heterogeneous photo-Fenton catalysts with enhanced efficiency for the degradation of bisphenol A

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Journal of Environmental Sciences 2024年第9期143卷 1-11页

作者： xing-xing qiao Yu-Hang Xu Xiang-Ji Liu Sai-Le Chen Zhou Zhong Ya-Feng Li Jian Lü Fujian Provincial Key Laboratory of Soil Environmental Health and Regulation College of Resources and EnvironmentFujian Agriculture and Forestry UniversityFuzhou 350002China State Key Laboratory of Photocatalysis on Energy and Environment Fuzhou UniversityFuzhou 350116China

Potential health risks related to environmental endocrine disruptors(EEDs)have aroused research hotspots at the forefront of water treatment ***,nitrogen-doped titanium dioxide/schwertmannite nanocomposites(N-TiO_(2)/SCH)have been successfully developed as heterogeneous catalysts for the degradation of typical EEDs via photo-Fenton *** to the sustainable Fe(Ⅲ)/Fe(Ⅱ)conversion induced by photoelectrons,as-prepared N-TiO_(2)/SCH nanocomposites exhibit much enhanced efficiency for the degradation of bisphenol A(BPA;ca.100% within 60 min under visible irradiation)in a wide pH range of 3.0-7.8,which is significantly higher than that of the pristine schwertmannite(ca.74.5%)or N-TiO_(2)(ca.10.8%).In this photo-Fenton system,the efficient degradation of BPA is mainly attributed to the oxidation by hydroxyl radical(·OH)and singlet oxygen(^(1)O_(2)).Moreover,the possible catalytic mechanisms and reaction pathway of BPA degradation are systematically investigated based on analytical and photoelectrochemical *** work not only provides a feasible means for the development of novel heterogeneous photo-Fenton catalysts,but also lays a theoretical foundation for the potential application of mineral-based materials in wastewater treatment.

关键词： Titanium dioxide Schwertmannite Fenton reaction Environmental endocrine disruptors Photocatalysis

Digital measuring the ocular morphological parameters of guinea pig eye in vivo with Python

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International Journal of Ophthalmology(English edition) 2024年第2期17卷 239-246页

作者： yue Di Zhong-Bao qiao Hai-Yun Ye Xin-yue Li Wen-Ting Luo Wang-Yi Fang Tong qiao Department of Ophthalmology Shanghai Children’s HospitalSchool of MedicineShanghai Jiao Tong UniversityShanghai 200062China

AIM:To quantitatively measure ocular morphological parameters of guinea pig with Python ***:Thirty-six eyeballs of eighteen 3-weekold guinea pigs were measured with keratometer and photographed to obtain the horizontal,coronal,and sagittal planes *** corresponding photo pixels-actual length ratio was acquired by a proportional *** edge coordinates were identified artificially by ginput *** and conic curve fitting were applied to fit the contour of the eyeball in the sagittal,coronal and horizontal *** curvature,curvature radius,eccentricity,tilt angle,corneal diameter,and binocular separation angle were calculated according to the geometric ***,the eyeballs were removed,canny edge detection was applied to identify the contour of eyeball in *** results were compared between in vivo and in ***:Regarding the corneal curvature and curvature radius on the horizontal and sagittal planes,no significant differences were observed among results in vivo,in vitro,and the *** horizontal and vertical binocular separation angles were 130.6°±6.39°and 129.8°±9.58°*** the corneal curvature radius and eccentricity in vivo,significant differences were observed between horizontal and vertical ***:The Graphical interface window of Python makes up the deficiency of edge detection,which requires too much definition in *** are significant differences between guinea pig and human beings,such as exotropic eye position,oblique oval eyeball,and obvious discrepancy of *** study helps evaluate objectively the ocular morphological parameters of small experimental animals in emmetropization research.

关键词： ocular morphological parameters guinea pig digital measurement Python

Metallosalen covalent organic frameworks for heterogeneous catalysis

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Interdisciplinary Materials 2024年第1期3卷 87-112页

作者： Wei Zhou Wei‐qiao Deng xing Lu School of Chemistry and Chemical Engineering Hainan UniversityHaikouHainanChina Institute of Molecular Sciences and Engineering Shandong UniversityQingdaoShandongChina

Metallosalen covalent organic frameworks(M(salen)-COFs)have garnered significant attention as promising candidates for advanced heterogeneous catalysis,including organocatalysis,electrocatalysis,and photocatalysis,due to their unique structural advantages(combining molecules catalysts and crystalline porous materials)and tunable topological *** is essential to provide a comprehensive overview of emerging designs of M(salen)-COFs and corresponding advances in this ***,this review first summarizes the reported metallolinkers and the synthesis methods of M(salen)-*** addition,the review enumerates the excellent M(salen)-COF based heterogeneous catalysts and discusses the fundamental mechanisms behind the outstanding heterogeneous catalytic performance of M(salen)-*** mechanisms include the pore enrichment effect(enhancing local concentration within porous materials to promote catalytic reactions),the three-in-one strategy(integrating enrichment,reduction,and oxidation sites in one system),and the incorporation of a built-in electric field(implanting a built-in electric field in heterometallic phthalocyanine covalent organic frameworks).Furthermore,this review discusses the challenges and prospects related to M(salen)-COFs in heterogeneous catalysis.

关键词： covalent organic frameworks heterogeneous catalysis metallosalen

Multiple conductive network for KTi_(2)(PO_(4))_(3)anode based on MXene as a binder for high-performance potassium storage

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Chinese Chemical Letters 2024年第8期35卷 539-544页

作者： Tong Su yue Wang Qizhen Zhu Mengyao Xu Ning qiao Bin Xu State Key Laboratory of Organic-Inorganic Composites Beijing Key Laboratory of Electrochemical Process and Technology for MaterialsBeijing University of Chemical TechnologyBeijing 100029China

KTi_(2)(PO_(4))_(3)is a promising anode material for potassium storage,but suffers from low conductivity and difficult balance between high capacity and good structural ***,the Ti_(3)C_(2)T_(x)MXene is used as a multifunctional binder to fabricate the KTi_(2)(PO_(4))_(3)electrode by the traditional homogenizing-coating *** MXene nanosheets,together with the conductive agent super P nanoparticles,construct a multiple conductive network for fast electron/ion transfer and high electrochemical ***,the network ensures the structural stability of the KTi_(2)(PO_(4))_(3)electrode during the de-intercalation/intercalation of 4 K^(+)ions,which is beneficial for simultaneously achieving high capacity and good cycle ***,the MXene-bonded KTi_(2)(PO_(4))_(3)electrode delivers a reversible capacity of 255.2 mAh/g at 50 mA/g,outstanding rate capability with 132.3 mAh/g at 2 A/g,and ex-cellent cycle performance with 151.6 mAh/g at 1 A/g after 2000 *** work not only suggests a high-performance anode material for potassium-ion batteries,but also demonstrates that the MXene is a promising binder material for constructing conductive electrodes in rechargeable batteries.

关键词： MXene Ti_(3)C_(2)T_(x) KTi_(2)(PO_(4))_(3) Anode Conductive network Potassium storage

Constraints Separation Based Evolutionary Multitasking for Constrained Multi-Objective Optimization Problems

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IEEE/CAA Journal of Automatica Sinica 2024年第8期11卷 1819-1835页

作者： Kangjia qiao Jing Liang Kunjie Yu Xuanxuan Ban Caitong yue Boyang Qu Ponnuthurai Nagaratnam Suganthan School of Electrical and Information Engineering Zhengzhou UniversityZhengzhou 450001China School of Electrical Engineering and Automation Henan Institute of TechnologyXinxiang 453003China School of Electronic and Information Zhongyuan University of TechnologyZhengzhou 450007China KINDI Center for Computing Research College of EngineeringQatar UniversityDoha 999043Qatar

Constrained multi-objective optimization problems(CMOPs)generally contain multiple constraints,which not only form multiple discrete feasible regions but also reduce the size of optimal feasible regions,thus they propose serious challenges for *** all constraints,some constraints are highly correlated with optimal feasible regions;thus they can provide effective help to find feasible Pareto ***,most of the existing constrained multi-objective evolutionary algorithms tackle constraints by regarding all constraints as a whole or directly ignoring all constraints,and do not consider judging the relations among constraints and do not utilize the information from promising single ***,this paper attempts to identify promising single constraints and utilize them to help solve *** be specific,a CMOP is transformed into a multitasking optimization problem,where multiple auxiliary tasks are created to search for the Pareto fronts that only consider a single constraint ***,an auxiliary task priority method is designed to identify and retain some high-related auxiliary tasks according to the information of relative positions and dominance ***,an improved tentative method is designed to find and transfer useful knowledge among *** results on three benchmark test suites and 11 realworld problems with different numbers of constraints show better or competitive performance of the proposed method when compared with eight state-of-the-art peer methods.

关键词： Constrained multi-objective optimization(CMOPs) evolutionary multitasking knowledge transfer single constraint.

Complete kinetic model for esterification reaction of lauric acid with glycerol to synthesize glycerol monolaurate

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Chinese Journal of Chemical Engineering 2024年第6期70卷 211-221页

作者： Han-qiao Hu yue Zhang Ming Fan Yong Cai Guang-Wen Chu Liang-Liang Zhang Research Center of the Ministry of Education for High Gravity Engineering and Technology Beijing University of Chemical TechnologyBeijing 100029China State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical TechnologyBeijing 100029China Petrochemical Research Institute China National Petroleum CorporationBeijing 102206China

Glycerol monolaurate(GML)is a widely used industrial chemical with excellent emulsification and antibacterial *** direct esterification of glycerol with lauric acid is the main method to synthesize *** this work,the kinetic process of direct esterification was systematically studied using p-toluenesulfonic acid as catalyst.A complete kinetic model of consecutive esterification reaction has been established,and the kinetic equation of acid catalysis was *** isomerization reactions of GML and glycerol dilaurate were *** was found that the reaction was an equilibrium reaction and the reaction rate was faster than the esterification *** kinetic equations of the consecutive esterification reaction were obtained by experiments as k_(1)=(276+92261Xcat)exp(-37720/RT)and k_(2)=(80+4413Xcat)exp(-32240/RT).The kinetic results are beneficial to the optimization of operating conditions and reactor design in GML production process.

关键词： Glycerol monolaurate p-Toluenesulfonic acid Esterification Kinetics Mass transfer