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Molecular simulation-guided and physics-informed mechanistic modeling of multifunctional polymers

Acta Mechanica Sinica 2021年第5期37卷 725-745,I0002页

作者： Guang Chen Weikang Xian Qiming Wang Ying Li Department of Mechanical Engineering University of ConnecticutStorrsCT 06269USA Sonny Astani Department of Civil and Environmental Engineering University of Southern CaliforniaLos AngelesCA 90089USA Department of Mechanical Engineering and Polymer Program Institute of Materials ScienceUniversity of ConnecticutStorrsCT 06269USA

Polymeric materials have a broad range of mechanical and physical *** have been widely used in material science,biomedical engineering,chemical engineering,and mechanical *** introduction of active elements into the soft matrix of polymers has enabled much more diversified functionalities of polymeric materials,such as self-healing,electroactive,magnetosensitive,pH-responsive,and many *** further enable applications of these multifunctional polymers,a mechanistic modeling method is required and of great significance,as it can provide links between materials’micro/nano-structures and their macroscopic mechanical *** this goal,molecular simulation plays an important role in understanding the deformation and evolution of polymer networks under external loads and *** molecular insights provide physical guidance in the formulation of mechanistic-based continuum models for multifunctional *** this perspective,we present a molecular simulation-guided and physics-informed modeling framework for polymeric ***,the physical theory for polymer chains and their networks is briefly *** serves as the foundation for mechanistic-models of polymers,linking their chemistry,physics,and mechanics ***,the deformation of the polymer network is used to derive the strain energy density ***,the corresponding continuum models can capture the intrinsic deformation mechanisms of polymer *** then highlight several representative examples across multiphysics coupling problems to describe in detail for this proposed *** but not least,we discuss potential challenges and opportunities in the modeling of multifunctional polymers for future research directions.

关键词： Molecular simulation Multiphysics modeling Multiscale modeling Multifunctional polymers Soft Matter

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Edge atomic Fe sites decorated porous graphitic carbon as an efficient bifunctional oxygen catalyst for Zinc-air batteries

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Journal of Energy Chemistry 2023年第8期83卷 602-611,I0014页

作者： Ruihui Gan Yali Wang Xiangwu Zhang Yan Song Jingli Shi Chang Ma Tianjin Municipal Key Lab of Advanced Fiber and Energy Storage Technology Tiangong UniversityTianjin 300387China Fiber and Polymer Science Program Department of Textile EngineeringChemistry and ScienceWilson College of TextilesNorth Carolina State UniversityRaleighNC 27695-8301uNITED sTATES CAS Key Laboratory of Carbon Materials Institute of Coal ChemistryChinese Academy of SciencesTaiyuan 030001ShanxiChina

The development of advanced bifunctional oxygen electrocatalysts for oxygen reduction and evolution reactions(ORR and OER) is critical to the practical application of zinc-air batteries(ZABs). Herein, a silica-assisted method is reported to integrate numerous accessible edge Fe-Nx sites into porous graphitic carbon(named Fe-N-G) for achieving highly active and robust oxygen electrocatalysis. Silica facilitates the formation of edge Fe-Nx sites and dense graphitic domains in carbon by inhibiting iron *** purification process creates a well-developed mass transfer channel for Fe-N-G. Consequently,Fe-N-G delivers a half-wave potential of 0.859 V in ORR and an overpotential of 344 m V at10 m A cm^(-2)in OER. During long-term operation, the graphitic layers protect edge Fe-Nx sites from demetallation in ORR and synergize with Fe OOH species endowing Fe-N-G with enhanced OER *** functional theory calculations reveal that the edge Fe-Nx site is superior to the in-plane Fe-Nx site in terms of OH* dissociation in ORR and OOH* formation in OER. The constructed ZAB based on Fe-N-G cathode shows a higher peak power density of 133 m W cm^(-2)and more stable cycling performance than Pt/C + RuO2counterparts. This work provides a novel strategy to obtain high-efficiency bifunctional oxygen electrocatalysts through space mediation.

关键词： Bifunctionality EdgeFe-Nxsites Oxygen catalysis Graphitic domains Zinc-air batteries

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Morphological residual convolutional neural network(M-RCNN)for intelligent recognition of wear particles from artificial joints

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Friction 2022年第4期10卷 560-572页

作者： Xiaobin HU Jian SONG Zhenhua LIAO Yuhong LIU Jian GAO Bjoern MENZE Weiqiang LIU Department of Computer Science Technical University of MunichGarching 85748Germany School of Biomedical Engineering Sun Yat-sen UniversityGuangzhou 510006China Key Laboratory of Biomedical Materials and Implant Devices Research Institute of Tsinghua University in ShenzhenShenzhen 518057China State Key Laboratory of Tribology Tsinghua UniversityBeijing 100084China Mckelvey School of Engineering Washington University in Saint LouisSt.LouisMO 63130USA

Finding the correct category of wear particles is important to understand the tribological ***,manual identification is tedious and *** here propose an automatic morphological residual convolutional neural network(M-RCNN),exploiting the residual knowledge and morphological priors between various particle *** also employ data augmentation to prevent performance deterioration caused by the extremely imbalanced problem of class *** results indicate that our morphological priors are distinguishable and beneficial to largely boosting overall performance.M-RCNN demonstrates a much higher accuracy(0.940)than the deep residual network(0.845)and support vector machine(0.821).This work provides an effective solution for automatically identifying wear particles and can be a powerful tool to further analyze the failure mechanisms of artificial joints.

关键词： wear particles classifier morphological priors data augmentation deep residual network

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biomedical polymers: synthesis, properties, and applications

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science China Chemistry 2022年第6期65卷 1010-1075页

作者： Wei-Hai Chen Qi-Wen Chen Qian Chen Chunyan Cui Shun Duan Yongyuan Kang Yang Liu Yun Liu Wali Muhammad Shiqun Shao Chengqiang Tang Jinqiang Wang Lei Wang Meng-Hua Xiong Lichen Yin Kuo Zhang Zhanzhan Zhang Xu Zhen Jun Feng Changyou Gao Zhen Gu Chaoliang He Jian Ji Xiqun Jiang Wenguang Liu Zhuang Liu Huisheng Peng Youqing Shen Linqi Shi Xuemei Sun Hao Wang Jun Wang Haihua Xiao Fu-Jian Xu Zhiyuan Zhong Xian-Zheng Zhang Xuesi Chen Key Laboratory of Biomedical Polymers of Ministry of Education&Department of Chemistry Wuhan UniversityWuhan430072China Institute of Functional Nano&Soft Materials(FUNSOM) Jiangsu Key Laboratory for Carbon-Based Functional Materials&DevicesSoochow UniversitySuzhou215123China School of Materials Science and Engineering Tianjin Key Laboratory of Composite and Functional MaterialsTianjin UniversityTianjin300350China Key Laboratory of Biomedical Materials of Natural Macromolecules(Beijing University of Chemical Technology) Ministry of EducationBeijing Laboratory of Biomedical MaterialsCollege of Materials Science and EngineeringBeijing University of Chemical TechnologyBeijing100029China MOE Key Laboratory of Macromolecular Synthesis and Functionalization Department of Polymer Science and EngineeringZhejiang UniversityHangzhou310027China State Key Laboratory of Medicinal Chemical Biology Key Laboratory of Functional Polymer Materials of Ministry of EducationCollege of ChemistryNankai UniversityTianjin300071China Key Laboratory of Advanced Drug Delivery Systems of Zhejiang Province College of Pharmaceutical SciencesZhejiang UniversityHangzhou310058China Jinhua Institute of Zhejiang University Jinhua321299China Zhejiang Key Laboratory of Smart BioMaterials and Center for Bionanoengineering College of Chemical and Biological EngineeringZhejiang UniversityHangzhou310027China ZJU-Hangzhou Global Scientific and Technological Innovation Center Hangzhou311215China State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular Science and Laboratory of Advanced MaterialsFudan UniversityShanghai200438China CAS Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety CAS Center for Excellence in Nano-scienceNational Center for Nanoscience and Technology(NCNST)Beijing100190China School of Biomedical Sciences and Engineering Guangzhou International CampusSouth China University of TechnologyGuangzhou510006China Institute of Functional Nano and So

biomedical polymers have been extensively developed for promising applications in a lot of biomedical fields, such as therapeutic medicine delivery, disease detection and diagnosis, biosensing, regenerative medicine, and disease treatment. In this review, we summarize the most recent advances in the synthesis and application of biomedical polymers, and discuss the comprehensive understanding of their property-function relationship for corresponding biomedical applications. In particular, a few burgeoning bioactive polymers, such as peptide/biomembrane/microorganism/cell-based biomedical polymers, are also introduced and highlighted as the emerging biomaterials for cancer precision therapy. Furthermore, the foreseeable challenges and outlook of the development of more efficient, healthier and safer biomedical polymers are discussed. We wish this systemic and comprehensive review on highlighting frontier progress of biomedical polymers could inspire and promote new breakthrough in fundamental research and clinical translation.

关键词： biomedical polymer nanomedicine cancer therapy drug delivery bioimaging and biosensing tissue engineering regenerative medicine cytotoxicity biocompatibility

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Improving the Cooling Time of Twisted Coiled Actuators in Soft Robotics

Improving the Cooling Time of Twisted Coiled Actuators in So...

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IEEE/RAS-EMBS International Conference on biomedical Robotics and Biomechatronics (BioRob)

作者： Alex Lizotte Parisa Daemi Brendan DiFabio Ana Luisa Trejos School of Biomedical Engineering (BME) Western University BME Western University Department of Electrical and Computer Engineering (ECE) Department of Mechanical and Materials Engineering Mechatronics Program Western University ECE and BME Western University

ISBN: (数字)9798350386523

ISBN: (纸本)9798350386530

Fabric cooling channels for twisted coiled actuators (TCAs) were recently proposed to achieve the required response times for motion assistance in a manner suitable for soft wearable robotic devices. While previous work demonstrated that the fabric channel reduced the cooling time by 42% in comparison to the same TCA without the cooling channel, the TCAs were still not cooled quickly enough to support human motion. Therefore, in this paper, two variations to the channel are proposed to further reduce the cooling time of the TCAs. The variations include unsealing the inlet and adding vents along the length of the channel to take advantage of air entrainment and natural convection. While both variations reduced the cooling time on their own, when they were employed together there was a 34% reduction in cooling time compared to the original channel design ( $19.1 \pm 2.4\ \mathrm{s}$ vs. $13.5 \pm 0.9\ \mathrm{s}, \mathrm{p} < 0.001$ ). This decrease occurred without any significant differences in the stroke or heating time of the TCA. The modified channel was then compared to the TCA without the cooling apparatus and the cooling time was reduced by 57% ( $25.1 \pm 1.7\ \mathrm{s}$ vs. $14.0 \pm 1.2\ \mathrm{s}, \mathrm{p} < 0.001)$ . This work advances the development of a cooling system for TCAs, making it suitable for soft wearable robotic devices by improving portability, and thereby enabling their use in wearable devices for rehabilitation applications.

关键词： Heating systems Actuators Cooling Vents Soft robotics Fabrics Time factors Wearable devices Convection Testing

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Endotaxial Polytype engineering: Enhancement of Incommensurate Charge Density Waves in TaS2

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Microscopy and microanalysis : the official journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada 2023年第1期29卷 1646-1647页

作者： Sung, Suk Hyun Kezer, Pat Agarwal, Nishkarsh Goh, Yin Min Schnitzer, Noah Baggari, Ismail El Sun, Kai Kourkoutis, Lena F. Heron, John T. Hovden, Robert Department of Materials Science and Engineering University of Michigan Ann Arbor MI United States Department of Physics University of Michigan Ann Arbor MI United States Department of Materials Science and Engineering Cornell University Ithaca NY United States Rowland Institute at Harvard University Cambridge MA United States Kavli Institute at Cornell for Nanoscale Science Ithaca NY United States School of Applied and Engineering Physics Cornell University Ithaca NY United States Applied Physics Program University of Michigan Ann Arbor MI United States

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A disposable tartrazine sensor fabricated with a synchronously activated nanocomposite comprising gadolinium molybdate nanoflowers anchored on functionalized carbon nanofibers

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New Journal of Chemistry 2023年第6期48卷 2660-2672页

作者： Jayapaul, Abishek Sakthivel, Rajalakshmi Lin, Yu-Chien Dhawan, Udesh Liu, Xinke Wen, Hsiao-Wei Chung, Ren-Jei No. 1 Section 3 Zhongxiao E. Rd. Taipei10608 Taiwan Centre for the Cellular Microenvironment Division of Biomedical Engineering James Watt School of Engineering Mazumdar-Shaw Advanced Research Centre University of Glasgow GlasgowG116EW United Kingdom College of Materials Science and Engineering Chinese Engineering and Research Institute of Microelectronics Shenzhen University Shenzhen518060 China Department of Electrical and Computer Engineering National University of Singapore Singapore117583 Singapore Department of Food Science and Biotechnology National Chung Hsing University Taichung402202 Taiwan Food and Animal Product Safety Inspection Center National Chung Hsing University Taichung402202 Taiwan Taipei10608 Taiwan

Tartrazine (TRZ) is a synthetic food dye considered noxious to human health and a toxic environmental contaminant owing to the presence of a harmful azo group (-N 00000000 00000000 00000000 00000000 11111111 00000000 11111111 00000000 00000000 00000000 N-) in its chemical structure. The global necessity to prevent food contamination has led scientific researchers to develop disposable sensing platforms. This study aims to integrate nanotechnology with electrochemistry to fabricate a disposable screen-printed carbon electrode (SPCE) with a nanocomposite composed of gadolinium molybdate (Gd2MoO6) nanoflowers decorated on an enmeshed matrix of acid-functionalized carbon nanofibers (f-CNF). The hierarchal arrangement of distinct components in the nanocomposite is promoted by synergism through the formation of a hybrid heterojunction. This heterojunction in the electrode modifier activates the electrode to sense TRZ with a remarkable limit of detection (0.8 nmol L−1) and quantification (2 nmol L−1) over a broad linear range of 0.025 μM to 216.45 μM. Furthermore, the functional sensing ability of the proposed sensor was analyzed in various commercial food products. © 2024 The Royal Society of Chemistry.

关键词： Nanocomposites

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Second law of thermodynamics: Spontaneous cold-to-hot heat transfer in a nonchaotic medium

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Physical Review E 2024年第5期110卷 054113-054113页

作者： Yu Qiao Zhaoru Shang Program of Materials Science and Engineering University of California San Diego La Jolla California 92093 USA Department of Structural Engineering University of California San Diego La Jolla California 92093-0085 USA

It has long been known that, fundamentally different from a large body of rarefied gas, when a Knudsen gas is immersed in a thermal bath, it may never reach thermal equilibrium. The root cause is nonchaoticity: as the particle-particle collisions are sparse, the particle trajectories tend to be independent of each other. Usually, this counterintuitive phenomenon is studied through kinetic theory and is not considered a thermodynamic problem. In current research, we show that if incorporated in a compound setup, such an intrinsically nonequilibrium behavior has nontrivial consequences and cannot circumvent thermodynamics: cold-to-hot heat transfer may happen spontaneously, either continuously (with an energy barrier), or cyclically (with time-dependent entropy barriers). It allows for production of useful work by absorbing heat from a single thermal reservoir without any other effect. As the system obeys the first law of thermodynamics, it breaks the boundaries of the second law of thermodynamics.

关键词： Classical statistical mechanics Nonequilibrium & irreversible thermodynamics Thermodynamics Monte Carlo methods

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Implantable physical sensors for in vivo organ monitoring

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Med-X 2025年第1期3卷 1-32页

作者： Li, Xuan Huang, Xinghao Yang, Liheng Jung, Sunyoung Wang, Jihe Zhao, Hangbo Department of Aerospace and Mechanical Engineering University of Southern California Los Angeles USA Alfred E. Mann Department of Biomedical Engineering University of Southern California Los Angeles USA Mork Family Department of Chemical Engineering and Materials Science University of Southern California Los Angeles USA

Implantable sensors can provide access to accurate, continuous, and minimally invasive monitoring of physiological signals from internal organs and tissues, thereby facilitating timely diagnosis, closed-loop intervention, and advanced health management. Among the various types of implantable sensors, those capable of measuring physical parameters–such as temperature, force, and flow–are particularly important due to their ability to monitor physical conditions critical to nearly all organs and to provide insights into a wide range of health conditions. This review presents recent progress in four key types of implantable physical sensors: strain sensors, pressure sensors, temperature sensors, and flow sensors. It covers their engineering principles, design considerations, in vivo performances, and clinical relevance. The review also addresses critical challenges and future opportunities in the development of implantable physical sensors, such as flexibility and stretchability, biocompatibility, long-term stability, and the translation of these sensing technologies from bench to clinic. • Recent advances in implantable physical sensors are comprehensively reviewed. • The engineering principles, design considerations, in vivo performance, and clinical applications of implantable physical sensors are discussed. • Implantable physical sensors offer compelling opportunities for real-time, minimally invasive organ monitoring.

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Benefits and drawbacks of radiofrequency ablation via percutaneous or minimally invasive surgery for treating hepatocellular carcinoma

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World Journal of Gastrointestinal Surgery 2024年第11期16卷 3400-3407页

作者： Ching-Lung Hsieh Cheng-Ming Peng Chun-Wen Chen Chang-Hsien Liu Chih-Tao Teng Yi-Jui Liu Department of Computer Science and Information Engineering Feng Chia UniversityTaichung 40724Taiwan Department of Surgery Chung Shan Medical University HospitalTaichung 40201Taiwan School of Medicine Chung Shan Medical UniversityTaichung 40201Taiwan Department of Radiology Taichung Armed Forces General HospitalTaichung 406Taiwan Department of Medical Imaging and Radiological Sciences Central Taiwan University of Science and TechnologyTaichung 406Taiwan Department of Radiology School of MedicineNational Defense Medical CenterTaipei 11490Taiwan Department of Medical Imaging China Medical University Hsinchu Hospital and China Medical UniversityHsinchu 302Taiwan Institute of Nuclear Engineering and Science National Tsing Hua UniversityHsinchu 300Taiwan Department of Radiology Nantou Hospital of the Ministry of Health and WelfareNantou 540Taiwan Master’s Program of Biomedical Informatics and Biomedical Engineering Feng Chia UniversityTaichung 407Taiwan Department of Automatic Control Engineering Feng Chia UniversityTaichung 407Taiwan

The management of early stage hepatocellular carcinoma(HCC)presents significant *** radiofrequency ablation(RFA)has shown safety and effectiveness in treating HCC,with lower mortality rates and shorter hospital stays,its high recurrence rate remains a significant ***,achieving improved survival solely through RFA is challenging,particularly in retrospective studies with inherent *** is commonly used for guiding percutaneous RFA,but its low contrast can lead to missed tumors and the risk of HCC *** enhance the efficiency of ultrasound-guided percutaneous RFA,various techniques such as artificial ascites and contrast-enhanced ultrasound have been developed to facilitate complete tumor *** invasive surgery(MIS)offers advantages over open surgery and has gained traction in various surgical *** studies suggest that laparoscopic intraoperative RFA(IORFA)may be more effective than percutaneous RFA in terms of survival for HCC patients unsuitable for surgery,highlighting its ***,combining MIS-IORFA with these enhanced percutaneous RFA techniques may hold greater significance for HCC treatment using the MIS-IORFA *** article reviews liver resection and RFA in HCC treatment,comparing their merits and proposing a trajectory involving their combination in future therapy.

关键词： Percutaneous radiofrequency ablation Minimally invasive surgery Hepatocellular carcinoma Intraoperative radiofrequency ablation Contrast-enhanced ultrasound

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