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Molecule configurations modulate packing array and charge transfer in cocrystal engineering

Science China Chemistry 2024年第2期67卷 512-516页

作者： Shenglong An Mengyuan Qiao Xin jin Xuanying Chen Jianhua Su lifang Guo Zhiyun Zhang Key Laboratory for Advanced Materials and Joint International Research Laboratory of Precision Chemistry and Molecular Engineering Feringa Nobel Prize Scientist Joint Research CentreFrontiers Science Center for Materiobiology and Dynamic ChemistryEast China University of Science&TechnologyShanghai200237China

Organic cocrystal as an emerging assembly strategy has received increasing attention in constructing multiple functional materials,through continually screening suitable constituent monomers or changing their stoichiometry ratios.However,the role of molecule configuration in the cocrystal field is rarely explored despite the fascinating potential in regulating the packing mode.In this study,the N,N′-diphenyl-5,10-dihydrophenazine derivatives(DPPs) with the flexible scaffold and different methyl substitutions are selected as the donors bearing various molecular configurations.In a simple collaborative way,a series of cocrystals based on DPPs and OFN(octafluoronaphthalene) are fabricated,exhibiting two self-adaptive molecular stacking arrays.X-ray crystallographic analysis and theoretical calculation unveil their different π···π interactions and charge transfer characters,leading to the significant emission redshift up to 125 nm compared with individual DPPs.As a result,controllable molecule stacking structure,tunable emission,and charge transfer properties can be achieved.The study provides a new perspective to reveal the structure-property relationships at the molecular level by controlling the molecule configuration in cocrystal engineering,contributing to the development of cocrystal theoretical physics and organic functional materials.

关键词： cocrystals molecular configuration self-adaptive packing mode charge transfer

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Research on human gait sensing based on triboelectric nanogenerator

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Nanotechnology and Precision Engineering 2024年第2期7卷 32-40页

作者： Gang Yang lifang Wang Jiayun Tian School of Communication and Information Engineering Xi’an University of Posts and TelecommunicationsXi’an 710121China

To address the problem of frequent battery replacement for wearable sensors applied to fall detection among the elderly,a portable and lowcost triboelectric nanogenerator(TENG)-based self-powered sensor for human gait monitoring is proposed.The main fabrication materials of the TENG are polytetrafluoroethylene(PTFE)film,aluminum(Al)foil,and polyimide(PI)film,where PTFE and Al are the friction layer materials and the PI film is used to improve the output performance.Exploiting the ability of TENGs to monitor changes in environmental conditions,a self-powered sensor based on the TENG is placed in an insole to collect gait information.Since a TENG does not require a power source to convert physical and mechanical signals into electrical signals,the electrical signals can be used as sensing signals to be analyzed by a computer to recognize daily human activities and fall status.Experimental results show that the accuracy of the TENG-based sensor for recognizing human gait is 97.2%,demonstrating superior sensing performance and providing valuable insights for future monitoring of fall events in the elderly population.

关键词： Triboelectric nanogenerator Sensor Gait monitoring

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A systematic COSMO-RS study on mutual solubility of ionic liquids and C6-hydrocarbons

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Green Chemical Engineering 2024年第1期5卷 97-107页

作者： Chuxin Qi Zhen Song Hongye Cheng lifang Chen Zhiwen Qi State Key Laboratory of Chemical Engineering School of Chemical EngineeringEast China University of Science and Technology130 Meilong RoadShanghai200237China

When considering the usage of ionic liquids(ILs)for reactions and separations involving non-polar or weak-polar hydrocarbons,the knowledge of the mutual solubility behaviors of ILs and hydrocarbons is of the utmost importance.In this work,taking four typical C6-hydrocarbons namely benzene,cyclohexene,cyclohexane,and hexane as representatives,the mutual solubility of ILs and non-polar or weak-polar hydrocarbons are systematically studied based on the COSMO-RS model.The reliability of COSMO-RS for these systems is first evaluated by comparing experimental and predicted hydrocarbon-in-IL activity coefficient at infinite dilution and binary/ternary liquid-liquid equilibria of related systems.Then,the mutual solubility of the four hydrocarbons and13,650 ILs(composed by 210 cations and 65 anions)are predicted.The effect of different IL structural characteristics including alkyl chain length,cation family/symmetry/functional group,and anion on the IL-hydrocarbon mutual solubility behaviors are further analyzed by the analyses of interaction energy and screen charge distribution.The mutual solubility databases and the structural effects identified thereon could provide useful guidance for IL selection in related applications.

关键词： C6-hydrocarbons Ionic liquids Mutual solubility COSMO-RS Structural effect analysis

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Improved remote sensing image target detection based on YOLOv7

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Optoelectronics Letters 2024年第4期20卷 234-242页

作者： XU Shuanglong CHEN Zhihong ZHANG Haiwei XUE lifang SU Huijun School of Integrated Circuit Science and EngineeringTianjin University of Technology Tianjin 300384China

Remote sensing images are taken at high altitude from above,with complex spatial scenes of images and a large number of target types.The detection of image targets on large scale remote sensing images suffers from the problem of small target size and target density.This paper proposes an improved model for remote sensing image detection based on you only look once version 7(YOLOv7).First,the small-scale detection layer is added to reacquire tracking frames to improve the network’s recognition ability of small-scale targets,and then Bottleneck Transformers are fused in the backbone to make full use of the convolutional neural network(CNN)+Transformer architecture to enhance the feature extraction ability of the network.After that,the convolutional block attention module(CBAM)mechanism is added in the head to improve the model’s ability of small-scale target.Finally,the non-maximum suppressed(NMS)of YOLOv7 algorithm is changed to distance intersection over union-non maximum suppression(DIOU-NMS)to improve the detection ability of overlapping targets in the network.The results show that the method in this paper can improve the detection rate of small-scale targets in remote sensing images and effectively solve the problem of high overlap and is tested on the NWPU-VHR10 and DOTA1.0 datasets,and the accuracy of the improved model is improved by 6.3%and 4.2%,respectively,compared with the standard YOLOv7 algorithm.

关键词： image network union

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Thioacetamide Additive Homogenizing Zn Deposition Revealed by In Situ Digital Holography for Advanced Zn Ion Batteries

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Nano-Micro Letters 2024年第6期16卷 261-275页

作者： Kaixin Ren Min Li Qinghong Wang Baohua Liu Chuang Sun Boyu Yuan Chao Lai lifang Jiao Chao Wang School of Chemistry and Materials Science Jiangsu Normal UniversityXuzhou 221116JiangsuPeople’s Republic of China Jiangsu Key Laboratory of Advanced Laser Materials and Devices School ofPhysics and Electronic EngineeringJiangsu Normal UniversityXuzhou 221116JiangsuPeople’s Republic of China Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education) Nankai University300071 TianjinPeople’s Republic of China

Zinc ion batteries are considered as potential energy storage devices due to their advantages of low-cost,high-safety,and high theoretical capacity.However,dendrite growth and chemical corrosion occurring on Zn anode limit their commercialization.These problems can be tackled through the optimization of the electrolyte.However,the screening of electrolyte additives using normal electrochemical methods is time-consuming and labor-intensive.Herein,a fast and simple method based on the digital holography is developed.It can realize the in situ monitoring of electrode/electrolyte interface and provide direct information concerning ion concentration evolution of the diffusion layer.It is effective and time-saving in estimating the homogeneity of the deposition layer and predicting the tendency of dendrite growth,thus able to value the applicability of electrolyte additives.The feasibility of this method is further validated by the forecast and evaluation of thioacetamide additive.Based on systematic characterization,it is proved that the introduction of thioacetamide can not only regulate the interficial ion flux to induce dendrite-free Zn deposition,but also construct adsorption molecule layers to inhibit side reactions of Zn anode.Being easy to operate,capable of in situ observation,and able to endure harsh conditions,digital holography method will be a promising approach for the interfacial investigation of other battery systems.

关键词： Digital holographic microscopy In situ observation Electrode/electrolyte interface Zn dendrites Screening electrolyte additives

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Time-history performance optimization of flapping wing motion using a deep learning based prediction model

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Chinese Journal of Aeronautics 2024年第5期37卷 317-331页

作者： Tianqi WANG Liu LIU Jun LI lifang ZENG School of Aeronautics and Astronautics Zhejiang UniversityHangzhou 310027China Huanjiang Laboratory Zhuji 311800China

Flapping Wing Micro Aerial Vehicles(FWMAVs)have caused great concern in various fields because of their high efficiency and maneuverability.Flapping wing motion is a very important factor that affects the performance of the aircraft,and previous works have always focused on the time-averaged performance optimization.However,the time-history performance is equally important in the design of motion mechanism and flight control system.In this paper,a time-history performance optimization framework based on deep learning and multi-island genetic algorithm is presented,which is designed in order to obtain the optimal two-dimensional flapping wing motion.Firstly,the training dataset for deep learning neural network is constructed based on a validated computational fluid dynamics method.The aerodynamic surrogate model for flapping wing is obtained after the convergence of training.The surrogate model is tested and proved to be able to accurately and quickly predict the time-history curves of lift,thrust and moment.Secondly,the optimization framework is used to optimize the flapping wing motion in two specific cases,in which the optimized propulsive efficiencies have been improved by over 40%compared with the baselines.Thirdly,a dimensionless parameter C_(variation)is proposed to describe the variation of the time-history characteristics,and it is found that C_(variation)of lift varies significantly even under close time-averaged performances.Considering the importance of time-history performance in practical applications,the optimization that integrates the propulsion efficiency as well as C_(variation)is carried out.The final optimal flapping wing motion balances good time-averaged and time-history performance.

关键词： FWMAV Flapping wing motion Deep learning Unsteady aerodynamic performance Optimization Time-history curve

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HvMPK4 phosphorylates HvWRKY1 to enhance its suppression of barley immunity to powdery mildew fungus

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Journal of Genetics and Genomics 2024年第3期51卷 313-325页

作者： Pengya Xue Ling Zhang Renchun Fan Yanan Li Xinyun Han Ting Qi lifang Zhao Deshui Yu Qian-Hua Shen State Key Laboratory of Plant Cell and Chromosome Engineering Institute of Genetics and Developmental BiologyInnovation Academy for Seed DesignChinese Academy of SciencesBeijing 100101China CAS Center for Excellence in Biotic Interactions College of Advanced Agricultural SciencesUniversity of Chinese Academy of SciencesBeijing 100049China Department of Nutritional Sciences&Toxicology University of CaliforniaBerkeleyCA 94720USA Lushan Botanical Garden Chinese Academy of ScienceJiujiangJiangxi 332900China

Mitogen-activated protein kinase(MAPK)cascades play important roles in disease resistance in model plant species.However,the functions of MAPK signaling pathways in crop disease resistance are largely unknown.Here we report the function of HvMKK1-HvMPK4-HvWRKY1 module in barley immune system.HvMPK4 is identified to play a negative role in barley immune response against Bgh,as virus-induced gene silencing of HvMPK4 results in enhanced disease resistance whilst stably overexpressing HvMPK4 leads to super-susceptibility to Bgh infection.Furthermore,the barley MAPK kinase HvMKK1 is found to specifically interact with HvMPK4,and the activated HvMKK1^(DD) variant specifically phosphorylates HvMPK4 in vitro.Moreover,the transcription factor HvWRKY1 is identified to be a downstream target of HvMPK4 and phosphorylated by HvMPK4 in vitro in the presence of HvMKK1^(DD).Phosphorylation assay coupled with mutagenesis analyses identifies S122,T284,and S347 in HvWRKY1 as the major residues phosphorylated by HvMPK4.HvWRKY1 is phosphorylated in barley at the early stages of Bgh infection,which enhances its suppression on barley immunity likely due to enhanced DNA-binding and transcriptional repression activity.Our data suggest that the HvMKK1-HvMPK4 kinase pair acts upstream of HvWRKY1 to negatively regulate barley immunity against powdery mildew.

关键词： Barley MPK4 WRKY1 Phosphorylation Disease resistance Powdery mildew

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Hyperbranched magnetic polymer:highly efficient removal of Cr(Ⅵ)and application in electroplating wastewater

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Frontiers of Chemical Science and Engineering 2023年第10期17卷 1568-1580页

作者： Nan Sun Qing Wu lifang jin Zichen Zhu Jianhui Sun Shuying Dong Haijiao Xie Chunyan Zhang Yanrui Cui Key Laboratory for Yellow River and Huai River Water Environmental and Pollution Control Ministry of Educationand Henan Key Laboratory for Environmental Pollution ControlSchool of EnvironmentHenan Normal UniversityXinxiang 453007China

By using a two-step hydrothermal method and trithiocyanuric acid(TTCA),2,4,6-trihydrazino-1,3,5-triazine(THT),and Fe_(3)O_(4)as raw materials,a spherical magnetic adsorbent polymer(TTCA/THT@Fe_(3)O_(4))was synthesized to achieve the efficient removal of Cr(VI)from wastewater.Under optimal adsorption conditions,the maximum adsorption capacity of TTCA/THT@Fe_(3)O_(4)for Cr(VI)can reach 1340 mg∙g‒1.Notably,the removal efficiency can approach 98.9%,even at the lower concentration of 20 mg∙L^(‒1)Cr(VI).For actual wastewater containing Cr(VI),the Cr(VI)concentration was reduced from 25.8 to 0.4 mg∙L^(‒1),a remarkable 20%lower than the current industry discharge standard value.A mechanism for the high adsorption performance of Cr(VI)on TTCA/THT@Fe_(3)O_(4)was investigated using Fourier transform infrared spectroscopy,X-ray photoelectron spectroscopy,and density functional theory.It can be plausibly attributed to the formation of Cr/N and Cr/S coordination bonds.Additionally,surface electrostatic adsorption,reduction effects,and the spherical polymer structure increase the contact area with Cr(VI),maximizing adsorption.The synergistic effect of adsorption and reduction enhances the adsorption performance of TTCA/THT@Fe_(3)O_(4)for Cr(VI)and total chromium in water.The resultant polymer has a simple preparation process,excellent adsorption performance,easy magnetic separation,and promising application for actual wastewater.

关键词： magnetic polymer chromium removal hydrogen bonding recyclability actual wastewater

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Rh(Ⅱ)-catalyzed intermolecular carboamination of pyridines via double Csp^(2)-H bond activations

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Science China Chemistry 2024年第1期67卷 374-382页

作者： Zhongfeng Luo jingxing Jiang lifang Zou Xiaoyu Zhou Junshan Liu Zhuofeng Ke Fengjuan Chen Huanfeng Jiang Wei Zeng Key Laboratory of Functional Molecular Engineering of Guangdong Province School of Chemistry and Chemical EngineeringSouth China University of TechnologyGuangzhou 510641China School of Materials Science and Engineering PCFM LabSun Yat-sen UniversityGuangzhou 510275China Guangdong Provincial Key Laboratory of Chinese Medicine Pharmaceutics School of Traditional Chinese MedicineSouthern Medical UniversityGuangzhou 510515China

We disclose the development of the Rh-catalyzed amine-directed remote 5,6-carboamination protocol of pyridines via dual Csp^(2)-H functionalizations.A variety of readily available 2-aminopyridines and 1,2,3-triazoles are allowed for coupling cyclization to access polyfunctionalized azaindoles.Mechanistic studies including DFT calculations unveil that relay carbenoidelectrophilic addition to pyridines and the sequential pyridyl Csp^(2)-H amination are involved in this transformation.The postsynthetic utility of this methodology is showcased by versatile and site-selective modification of azaindoles.

关键词： Rh-catalysis azaindoles pyridyl Csp^(2)-H bond carboamination coupling-cyclization

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Brain circuits for retching-like behavior

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National Science Review 2024年第1期11卷 145-160页

作者： lifang Huo Zhimin Ye Meiling Liu Ziqing He Meizhu Huang Dapeng Li Qian Wu Qian Wang Xiaoqun Wang Peng Cao Ji Dong Congping Shang School of Basic Medical Sciences Guangzhou National Laboratory The Fifth Afflliated Hospital Guangzhou Medical University Bioland Laboratory (Guangzhou Regenerative Medicine and Health Guangdong Laboratory) Department of Neurobiology School of Basic Medical Sciences Beijing Key Laboratory of Neural Regeneration and Repair Advanced Innovation Center for Human Brain Protection Capital Medical University State Key Laboratory of Cognitive Neuroscience and Learning IDG/McGovern Institute for Brain Research Beijing Normal University Changping Life Science Laboratory National Institute of Biological Sciences

Nausea and vomiting are important defensive responses to cope with pathogens and toxins that invade the body. The nucleus of the solitary tract(NTS) is important for initiating these responses. However, the molecular heterogeneities and cellular diversities of the NTS occlude a better understanding of these defensive responses. Here, we constructed the single-nucleus transcriptomic atlas of NTS cells and found multiple populations of NTS neurons that may be involved in these defensive responses. Among these, we identified Calbindin1-positive(Calb1+) NTS neurons that are molecularly distinct from Tac1+neurons.These Calb1+neurons are critical for nausea and retching induced by cereulide; an emetic toxin secreted by Bacillus Cereus. Strikingly, we found that cereulide can directly modulate vagal sensory neurons that innervate Calb1+NTS neurons, a novel mechanism distinct from that for nausea and retching induced by Staphylococcal enterotoxin A. Together, our transcriptomic atlas of NTS neurons and the functional analyses revealed the neural mechanism for cereulide-induced retching-like behavior. These results demonstrate the molecular and cellular complexities in the brain that underlie defensive responses to the diversities of pathogens and toxins.

关键词： vomiting nausea nucleus of the solitary tract Calbindin1 neural circuits

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