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Gas-phase synthesis of Ti_(2)CCl_(2) enables an efficient catalyst for lithiumsulfur batteries

The Innovation 2024年第1期5卷 33-40页

作者： Maoqiao Xiang Zihan Shen Jie Zheng Miao Song Qiya He Yafeng Yang Jiuyi Zhu Yuqi Geng Fen Yue Qinghua Dong Yu Ge Rui Wang Jiake Wei Weiliang Wang Haiming Huang Huigang Zhang Qingshan Zhu Chuanfang John Zhang State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Chemical Engineering University of the Chinese Academy of SciencesBeijing 100049China Innovation Academy for Green Manufacture Chinese Academy of SciencesBeijing 100190China China Nuclear Power Engineering Co. Ltd.117 West Third Ring RoadNorth SectionBeijing 100840China College of Materials Science&Engineering Sichuan UniversityChengdu 610065China State Key Laboratory of Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China School of Physics Guangdong Province Key Laboratory of Display Material and TechnologyCenter for Neutron Science and TechnologySun Yat-sen UniversityGuangzhou 510275China Solid State Physics&Material Research Laboratory School of Physics and Materials ScienceGuangzhou UniversityGuangzhou 510006China

MXenes have aroused intensive enthusiasm because of their exotic properties and promising ***,to date,they are usually synthesized by etching *** synthetic technologies provides more opportunities for innovation and may extend unexplored ***,we report a bottom-up gas-phase synthesis of Cl-terminated MXene(Ti_(2)CCl_(2)).The gas-phase synthesis endows Ti_(2)CCl_(2) with unique surface chemistry,high phase purity,and excellent metallic conductivity,which can be used to accelerate polysulfide conversion kinetics and dramatically prolong the cyclability of Li-S ***-depth mechanistic analysis deciphers the origin of the formation of Ti_(2)CCl_(2) and offers a paradigm for tuning MXene chemical vapor *** brief,the gas-phase synthesis transforms the synthesis of MXenes and unlocks the hardly achieved potentials of MXenes.

关键词： synthesis phase lithium

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Investigating day-to-day route choices based on multi-scenario laboratory experiments, Part Ⅱ: Route-dependent attraction-based stochastic process model

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Communications in Transportation Research 2024年第1期4卷 92-107页

作者： Hang Qi Ning Ji Xiaobo Qu Zhengbing He Institute for Advanced Studies in Finance and Economics Hubei University of EconomicsWuhan430205 China Laboratory of Computation and Analytics of Complex Management Systems Tianjin UniversityTianjin300072 China Institute of Systems Engineering College of Management and EconomicsTianjin UniversityTianjin300072 China State Key Laboratory of Intelligent Green Vehicle and Mobility School of Vehicle and MobilityTsinghua UniversityBejing100084 China Senseable City Lab Massachusetts Institute of TechnologyCambridgeMA02139USA

laboratory experiments are one of the important means used to investigate travel choice behavior under strategic *** experiment-based studies have shown that the Nash equilibrium can predict aggregated route choices,while the fluctuations,whose mechanisms are still unclear,continue to exist until the *** understand the fluctuations,this paper proposes a route-dependent attraction-based stochastic process model,which shares exactly the same behavioral foundation introduced in Part I of the study(Qi et al.,2023),i.e.,route-dependent inertia and route-dependent *** model predictions are carefully compared with the experimental observations obtained from the congestible parallel-route laboratory experiments containing 312 subjects and eight decision-making scenarios(Qi et al.,2023).The results show that the proposed stochastic process model can precisely reproduce the random oscillations both in terms of flow switching and route flow ***,an approximated model is developed to enhance the efficiency in evaluating the equilibrium distribution,providing a practical tool to evaluate the impacts of transportation policies in both long-and short-term *** the best of our knowledge,this paper is the first attempt to model and explain experimental phenomena by introducing stochastic process theories,as well as a successful example of applying experimental economics methodology to improve our understanding of human travel choice behavior.

关键词： Day-to-day dynamics Route choice behavior Markov process Stochastic process

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A Brief Overview of ChatGPT:The History,Status Quo and Potential Future Development

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IEEE/CAA Journal of Automatica Sinica 2023年第5期10卷 1122-1136页

作者： Tianyu Wu Shizhu He Jingping Liu Siqi Sun Kang Liu Qing-Long Han Yang Tang the Key Laboratory of Smart Manufacturing in Energy Chemical Process East China University of Science and TechnologyShanghai 200237China the Laboratory of Cognition and Decision Intelligence for Complex Systems Institute of AutomationChinese Academy of SciencesBeijing 100190 the School of Artificial Intelligence University of Chinese Academy of SciencesBeijing 100049China the School of Information Science and Engineering East China University of Science and TechnologyShanghai 200237China the Research Institute of Intelligent Complex Systems Fudan UniversityShanghai 200437China the School of Science Computing and Engineering TechnologiesSwinburne University of TechnologyMelbourne VIC 3122Australia

ChatG PT,an artificial intelligence generated content (AIGC) model developed by OpenAI,has attracted worldwide attention for its capability of dealing with challenging language understanding and generation tasks in the form of *** paper briefly provides an overview on the history,status quo and potential future development of ChatGPT,helping to provide an entry point to think about ***,from the limited open-accessed resources,we conclude the core techniques of ChatGPT,mainly including large-scale language models,in-context learning,reinforcement learning from human feedback and the key technical steps for developing *** further analyze the pros and cons of ChatGPT and we rethink the duality of ChatGPT in various *** it has been widely acknowledged that ChatGPT brings plenty of opportunities for various fields,mankind should still treat and use ChatG PT properly to avoid the potential threat,e.g.,academic integrity and safety ***,we discuss several open problems as the potential development of ChatGPT.

关键词： AIGC ChatGPT GPT-3 GPT-4 human feedback large language models

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Accelerating Factor Xa inhibitor discovery with a de novo drug design pipeline

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Chinese Journal of Chemical engineering 2024年第8期72卷 85-94页

作者： Yujing Zhao Qilei Liu Jian Du Qingwei Meng Liang Sun Lei Zhang State Key Laboratory of Fine Chemicals Frontiers Science Center for Smart Materials Oriented Chemical EngineeringInstitute of Chemical Process Systems EngineeringSchool of Chemical EngineeringDalian University of TechnologyDalian 116024China Ningbo Institute of Dalian University of Technology Ningbo 315016China Shenzhen Shuli Tech Co. LtdShenzhen 518126China Department of Physics City University of Hong KongTat Chee AvenueKowloonHong Kong SARChina

Small-molecule drugs are essential for maintaining human health. The objective of this study is to identify a molecule that can inhibit the Factor Xa protein and be easily procured. An optimization-based de novo drug design framework, Drug CAMD, that integrates a deep learning model with a mixed-integer nonlinear programming model is used for designing drug candidates. Within this framework, a virtual chemical library is specifically tailored to inhibit Factor Xa. To further filter and narrow down the lead compounds from the designed compounds, comprehensive approaches involving molecular docking,binding pose metadynamics(BPMD), binding free energy calculations, and enzyme activity inhibition analysis are utilized. To maximize efficiency in terms of time and resources, molecules for in vitro activity testing are initially selected from commercially available portions of customized virtual chemical libraries. In vitro studies assessing inhibitor activities have confirmed that the compound EN300-331859shows potential Factor Xa inhibition, with an IC_(50)value of 34.57 μmol·L^(-1). Through in silico molecular docking and BPMD, the most plausible binding pose for the EN300-331859-Factor Xa complex are identified. The estimated binding free energy values correlate well with the results obtained from biological assays. Consequently, EN300-331859 is identified as a novel and effective sub-micromolar inhibitor of Factor Xa.

关键词： Chemical product design Mathematical programming method Deep learning Binding affinity Factor Xa inhibitor

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Deep Learning Assisted High Throughput Screening of Ionic Liquid Electrolytes for Nrr and Co2rr

SSRN

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SSRN 2023年

作者： Guo, Yandong Song, Yingying Chen, Junwu Yuan, Menglei Dong, Kun Bohai University Liaoning Jinzhou121013 China Beijing Key Laboratory of Ionic Liquids Clean Process CAS Key Laboratory of Green Process and Engineering State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China

Non-aqueous ionic liquids (ILs) with high solubility of both nitrogen and carbon dioxide have greater potential to be used as electrolytes for NRR and CO2RR due to reduced HER effects and high conductivity as well as low viscosity. However, conventional experimental methods for screening IL electrolytes are time-consuming and labor-intensive. In order to solve such difficulties, deep learning assisted screen of ILs was investigated in this work. The experimental data including six IL properties like viscosity, conductivity, melting point, density, nitrogen solubility, and carbon dioxide solubility of were collected approximately 40,000. The graph neural network model exhibited excellent ability in predicting performance in comparison to the traditional machine learning models. Furthermore, the transfer learning approach was employed to enhance the model prediction on a small dataset. A virtual database was constructed with 2 million IL structures to be used for high throughput screening. Using the properties of the IL [P6,6,6,14][eFAP] with higher Faradaic conversion efficiency as the input thresholds, we performed high throughput screening of the virtual dataset, obtained 141 ILs based on the Synthetic complexity Score (SCScore), in which tetracyanoborate based ([B(CN)4]-) ILs and perchlorate based ([ClO4]-) ILs accounted for large percentages, and finally identified 8 ILs superior to [P6,6,6,14][eFAP] as ideal electrolyte materials for both NRR and CO2RR that have been reported to be synthesizable. Our works provides the effective tool for designing the novel IL-based electrolytes and will be helpful for the researchers who are seeking the ILs with benign ability in NRR and CO2RR. © 2023, The Authors. All rights reserved.

关键词： Ionic liquids

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Heteronuclear Bicentric Ionic Liquids Tailored for Mild Catalytic Conversion of Co2 into Cyclic Carbonates

SSRN

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SSRN 2024年

作者： Shabbir, Irfan Ndayambaje, Jean Damascene Dong, Li Su, Qian Cheng, Weiguo CAS Key Laboratory of Green Process and Engineering State Key Laboratory of Multiphase Complex Systems Beijing Key Laboratory of Ionic Liquids Clean Process Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China University of Chinese Academy of Sciences Beijing100049 China Zhengzhou Institute of Emerging Industrial Technology Henan Zhengzhou450000 China

The rapid increase of CO2 in the environment is creating severe climate catastrophes and rising ocean surfaces. Therefore, its reduction and green utilization into value-added materials is significant. Herein, heteronuclear bicentric pyridinium-based ionic liquids (BPyILs) tailored with different chain lengths and halogen anions have been synthesized and structurally characterized. The BPyILs were utilized as thermally stable, metal-free, and homogeneous catalysts to synthesize other cyclic organic carbonates (COCs) using various epoxides and sustainable, economical, and inert CO2, and their catalytic activity phenomenon has been discussed in detail. The results demonstrated that [TMGH+][ ̶O2MPy+][Br ̶] possesses Lewis acid-base bifunctional characteristics with strong nucleophilic active sites, which play an essential synergistic effect on the activation of CO2 and the ring-opening of epoxides. Various factors affecting the conversion and selectivity of catalysts, including reaction temperature, halide ion, catalyst amount, CO2 pressure, and reaction time, were further investigated. The results illustrated that under metal and solvent-free conditions, dual functionalized bicentric PyILs ([TMGH+][ ̶O2MPy+][Br ̶]) exhibited 99.7 % COC yield and 99.9 % selectivity at 90 oC temperature and 1 MPa CO2 pressure up to 4 h for the cycloaddition reaction between CO2 and propylene oxide (PO). At the same time, the turn-over frequency was as high as 10.1 h-1. Moreover, the versatility and recyclability of the catalyst were studied, and a plausible reaction mechanism was proposed. Compared to previously reported functionalized bicentric catalysts, [TMGH+][ ̶ O2MPy+][Br ̶ ] requires mild reaction conditions without using any metal, solvent, or co-catalyst, which demonstrates the bright prospect of synthesizing pyridinium-based bicentric (BPyILs) catalysts and its practical use in CO2 conversion, activation, and utilization. © 2024, The Authors. All rights reserved.

关键词： Ionic liquids

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Federated Intelligence for Intelligent Vehicles

IEEE Transactions on Intelligent Vehicles

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IEEE Transactions on Intelligent Vehicles 2024年第5期9卷 1-5页

作者： Zhang, Weishan Zhang, Baoyu Jia, Xiaofeng Qi, Hongwei Qin, Rui Li, Juanjuan Tian, Yonglin Liang, Xiaolong Wang, Fei-Yue School of China University of Petroleum Qingdao China Department of Data Management Big Data Centre Beijing Beijing China Technology Company Beijing China State Key Laboratory of Multimodal Artificial Intelligence Systems Institute of Automation Chinese Academy of Sciences Beijing China Faculty of Innovation Engineering Macau University of Science and Technology Macao China State Key Laboratory for Management and Control of Complex Systems Institute of Automation Chinese Academy of Sciences Beijing China

This letter is a brief summary of a series of IEEE TIV's decentralized and hybrid workshops (DHWs) on Federated Intelligence for Intelligent Vehicles. The discussed results are: 1) Different scales of large models (LMs) can be federated and deployed on IVs, and three types of federated collaboration between large and small models can be adopted for IVs. 2) Federated fine-tuning of LMs is beneficial for IVs data security. 3) The sustainability of IVs can be improved through optimizing existing models and continuous learning using federated intelligence. 4) LM-enhanced knowledge can make IVs smarter. IEEE

关键词： Intelligent vehicle highway systems

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Biosorbent silver nanoparticles decorated coffee-ground waste composite for cleaning water and antimicrobial applications

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Environmental Science and Pollution Research 2025年第5期32卷 2280-2297页

作者： Al-Ghamdi, Azza A. Ibrahim, Sherif M. Lu, Xingmei Xin, Jiayu El-Sayed, Ibrahim El-Tantawy Galhoum, Ahmed A. Wageh, Swelm. Department of Chemistry College of Science Imam Abdulrahman Bin Faisal University P.O. Box 1982 Dammam31441 Saudi Arabia Renewable and Sustainable Energy Unit Imam Abdulrahman Bin Faisal University P.O. Box 1982 Dammam31441 Saudi Arabia Nuclear Materials Authority P.O. Box 530 El-Maadi Cairo Egypt Beijing Key Laboratory of Ionic Liquids Clean Process CAS Key Laboratory of Green Process and Engineering State Key Laboratory of Multiphase Complex Systems Innovation Academy for Green Manufacture Institute of Process Engineering Chinese Academy of Sciences Beijing100190 China School of Chemistry and Chemical Engineering University of Chinese Academy of Sciences Beijing100049 China Sino Danish College University of Chinese Academy of Sciences Beijing100049 China Chemistry Department Faculty of Science Menoufia University Shebin El-Kom Egypt Department of Physics Faculty of Science King Abdulaziz University Jeddah21589 Saudi Arabia

A sustainable biosorbent, silver nanoparticles-decorated coffee-ground waste (CWAg), was synthesized through a simple in-situ reduction method. CWAg is extensively characterized via SEM–EDX, PZC, FTIR, XRD, HR-TEM, and XPS analyses. The biosorbent was tested to remove chromium (Cr(VI)) and methylene blue (MB) from wastewater, and its antibacterial properties was evaluated. CWAg demonstrated efficient sorption efficiencies, achieving ⁓149.9 mg/g at 323 K and pH: 2.0 for Cr(VI) and ⁓113.4 mg/g at 293 K and pH: 6.0 for MB, at a biosorbent dose of 1 g/L. The equilibration times were 90 and 120 min for Cr(VI) and MB, with half-sorption times (tHST) of 9.2 and 13.9 min, respectively. The sorption mechanisms were successfully fitted with Sips isotherm and Pseudo-second-order models. Simultaneous sorption of MB and Cr(VI) at pH 2.0 exhibited antagonism, while a synergistic effect was observed at pH 6.0. Desorption and regeneration were achieved using NaOH and HCl solutions for Cr(VI) and MB, respectively. The efficiencies were just reduced by 9–13%. Finally, CWAg exhibited remarkable effectiveness for removing Cr(VI) from complex tannery effluent. Moreover, CWAg demonstrated positive antibacterial effects against both Gram-positive and Gram-negative bacteria, surpassing raw coffee-ground waste, underscoring the significant role of silver nanoparticles in enhancing bacterial inhibition. © The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature 2024.

关键词： Silver nanoparticles

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Functional meniscus reconstruction with biological and biomechanical heterogeneities through topological self-induction of stem cells

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Bioactive Materials 2024年第6期36卷 358-375页

作者： Mingze Du Kangze Liu Huinan Lai Jin Qian Liya Ai Jiying Zhang Jun Yin Dong Jiang Department of Sports Medicine Peking University Third HospitalInstitute of Sports Medicine of Peking UniversityBeijing Key Laboratory of Sports InjuriesEngineering Research Center of Sports Trauma Treatment Technology and DevicesMinistry of EducationBeijingChina The State Key Laboratory of Fluid Power Transmission and Control Systems Key Laboratory of 3D Printing Process and Equipment of Zhejiang ProvinceSchool of Mechanical EngineeringZhejiang UniversityZhejiang310058China Department of Engineering Mechanics Key Laboratory of Soft Machines and Smart Devices of Zhejiang ProvinceZhejiang UniversityZhejiang310058China School of Chemistry Chemical Engineering and BiotechnologyNanyang Technological University639798Singapore

Meniscus injury is one of the most common sports injuries within the knee joint,which is also a crucial pathogenic factor for osteoarthritis(OA).The current meniscus substitution products are far from able to restore meniscal biofunctions due to the inability to reconstruct the gradient heterogeneity of natural meniscus from biological and biomechanical ***,inspired by the topology self-induced effect and native meniscus microstructure,we present an innovative tissue-engineered meniscus(TEM)with a unique gradient-sized diamond-pored microstructure(GSDP-TEM)through dual-stage temperature control 3D-printing system based on the mechanical/biocompatibility compatible high M_(w) poly(ε-caprolactone)(PCL).Biologically,the unique gradient microtopology allows the seeded mesenchymal stem cells with spatially heterogeneous differentiation,triggering gradient transition of the extracellular matrix(ECM)from the inside ***,GSDP-TEM presents excellent circumferential tensile modulus and load transmission ability similar to the natural *** implantation in rabbit knee,GSDP-TEM induces the regeneration of biomimetic heterogeneous neomeniscus and efficiently alleviates joint *** study provides an innovative strategy for functional meniscus *** self-induced cell differentiation and biomechanical property also provides a simple and effective solution for other complex heterogeneous structure reconstructions in the human body and possesses high clinical translational potential.

关键词： Tissue-engineered meniscus Functional reconstruction Mesenchymal stem cells Heterogeneity Topology structure

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Robust Practical Stabilization for complex Dynamical Networks With DoS Attacks and Actuator Saturation

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IEEE Transactions on systems, Man, and Cybernetics: systems 2025年第5期55卷 3108-3118页

作者： Shi, Xueya Peng, Zhinan Yu, Junzhi Li, Hongfei Southwest University College of Electronic and Information Engineering Chongqing400715 China Sichuan Artificial Intelligence Research Institute Yibin644000 China University of Electronic Science and Technology of China School of Automation Engineering Chengdu611731 China Peking University State Key Laboratory for Turbulence and Complex Systems Department of Advanced Manufacturing and Robotics College of Engineering Beijing100871 China

This article addresses the problem of designing an attack-resilient adaptive event-triggered (AET) controller for complex dynamical networks (CDNs) under DoS attacks and actuator saturation, with a focus on robust practical stability (RPS). First, considering the impact of DoS attacks on closed-loop systems, an AET controller against DoS attacks is designed. Unlike other event-triggered controllers, the complete timeline is divided, and the AET controller is built with two switching modes based on the intervals of dormant and active periods of DoS attacks in which the system is located. Second, to reconcile AET controller with actuator saturation, a switched system modeling approach is established that explicitly incorporates saturation constraints into the coupled network dynamics. Third, a switched Lyapunov-Krasovskii functional (LKF) is proposed, with which sufficient conditions are provided to ensured the RPS, and a joint design strategy is developed for the desired triggered matrix and feedback gain using linear matrix inequalities (LMIs). Moreover, the results are generalized to the case of actuator faults, indicating that the system is able to achieve RPS with actuator faults. Finally, the proposed method is verified through an example. © 2013 IEEE.

关键词： Lyapunov functions

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