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Data-Driven Discovery of Multifunctional Organic Polymer Aerogels by Machine Learning-Assisted Large-Scale Property Screening

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Industrial and engineering Chemistry Research 2025年第22期64卷 11099-11110页

作者： Yoshikawa, Itsuki Aghababaei Tafreshi, Omid Sun, Yu-Chen Matsuura, Naomi Sotowa, Ken-Ichiro Naguib, Hani E. Department of Chemical Engineering Kyoto University Kyoto 615-8510 Japan Department of Mechanical and Industrial Engineering University of Toronto Toronto M5S 3G8 ON Canada Department of Materials Science and Engineering University of Toronto Toronto M5S 3E4 ON Canada Institute of Biomedical Engineering University of Toronto Toronto M5S 3G9 ON Canada

Polyimide (PI) aerogels are next-generation thermal insulation materials. Due to their intrinsic nanoporous structures, they are ultralow density and have superior thermal stability, making them important materials in fields such as aeronautics, thermal management, energy storage, and life sciences. The material properties and performance of PI aerogels are strongly correlated to the types of monomers and cross-linking agents. However, the time-consuming and costly synthesis process poses challenges in exploring new formulations of multifunctional PI aerogels with optimized properties. To discover new aerogel formulations, this research utilizes different machine learning methods to model the relationship between pristine monomers, processing conditions, and the properties of cross-linked aerogels. In addition, we have utilized machine learning to discover and predict new chemical structures via large-scale property screening. By introducing the Morgan fingerprint method, the chemical structure, including the hybrid monomer backbone, was effectively used as input for machine learning. Random forest and Gaussian process regression models were trained to estimate the density, compression modulus, and decomposition temperature. Over 1,600,000 novel PI aerogel structures were generated and screened using the trained machine learning models. Consequently, several structural candidates were identified as multifunctional PI aerogels with optimized properties and will have superior performance to those of previously reported aerogels. © 2025 American Chemical Society.

关键词： Thermal insulation

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Application of a Self-Assembly Sensing Layer to Grating Sensor Cabinets for biomedical Sensing of Rheumatoid Arthritis Antigen-Antibodies

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IEEE Sensors Journal 2024年第7期24卷 10039-10047页

作者： Wen, Hsin-Yi Hsu, Hsiang-Cheng Feng, Wen-Kai Jhan, Kai-Siang Yeh, Yao-Tsung Chiang, Chia-Chin National Kaohsiung University of Science and Technology Department of Chemical and Materials Engineering Kaohsiung80778 Taiwan National Kaohsiung University of Science and Technology College of Maritime Department of Ph.D. Program in Maritime Science and Technology Kaohsiung807618 Taiwan National Kaohsiung University of Science and Technology Department of Mechanical Engineering Kaohsiung80778 Taiwan Fooyin University Department of Medical Laboratory Science and Biotechnology Kaohsiung83102 Taiwan

In this article, we harnessed biomedical applications in laser-assisted etching long-period fiber gratings (LLPFGs) sensors, subsequently deploying them within the realm of biomedical applications. The primary aim of this study was to devise a sensitive method for the detection of antigen-antibodies associated with rheumatoid arthritis (RA) using LLPFGs. Sensing the antigen binding took place on the surface of the optical fiber through a self-assembling process. Given the inherent limitations of conventional rheumatoid factor (RF) testing in terms of specificity, we introduced an innovative serum-based approach geared toward the identification of anti-cyclic citrullinated peptide (Anti-CCP) antibodies. This method exhibited an impressive diagnostic accuracy rate of approximately 80% for RA cases, coupled with an exceptional specificity level of 98% for individuals without RA. The incorporation of LLPFGs in the detection of RA antigen-antibodies presents a highly promising avenue for enhancing the precision and reliability of RA diagnosis. Furthermore, this research aligns closely with the United Nations Sustainable Development Goal (SDG)3, which strives to promote well-being across all age groups and advance sustainable development by addressing health-related challenges, including the accurate diagnosis of diseases like RA. © 2023 IEEE.

关键词： Antibodies

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“Slow walk”mimetic tensile loading maintains human meniscus tissue resident progenitor cells homeostasis in photocrosslinked gelatin hydrogel

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Bioactive Materials 2023年第7期25卷 256-272页

作者： Jing Sun Yau Tsz Chan Ki Wai Kevin Ho Li Zhang Liming Bian Rocky S.Tuan Yangzi Jiang Institute for Tissue Engineering and Regenerative Medicine School of Biomedical SciencesFaculty of MedicineThe Chinese University of Hong KongShatinHong Kong Special Administrative Region of China School of Biomedical Sciences Faculty of MedicineThe Chinese University of Hong KongShatinHong Kong Special Administrative Region of China Department of Orthopaedics&Traumatology Faculty of MedicineThe Chinese University of Hong KongAnd Prince of Wales HospitalShatinHong Kong Special Administrative Region of China Department of Mechanical and Automation Engineering Faculty of EngineeringThe Chinese University of Hong KongShatinHong Kong Special Administrative Region of China Department of Biomedical Engineering Faculty of EngineeringThe Chinese University of Hong KongShatinHong Kong Special Administrative Region of China Center for Neuromusculoskeletal Restorative Medicine Hong Kong Special Administrative Region of China

Meniscus,the cushion in knee joint,is a load-bearing tissue that transfers mechanical forces to extracellular matrix(ECM)and tissue resident *** mechanoresponse of human tissue resident stem/progenitor cells in meniscus(hMeSPCs)is significant to tissue homeostasis and regeneration but is not well *** study reports that a mild cyclic tensile loading regimen of~1800 loads/day on hMeSPCs seeded in 3-dimensional(3D)photocrosslinked gelatin methacryloyl(GelMA)hydrogel is critical in maintaining cellular ***,a“slow walk”biomimetic cyclic loading regimen(10%tensile strain,0.5 Hz,1 h/day,up to 15 days)is applied to hMeSPCs encapsulated in GelMA hydrogel with a magnetic force-controlled loading *** loading significantly increases cell differentiation and fibrocartilage-like ECM deposition without affecting cell *** analysis reveals 332 mechanoresponsive genes,clustered into cell senescence,mechanical sensitivity,and ECM dynamics,associated with interleukins,integrins,and collagens/matrix metalloproteinase *** cell-GelMA constructs show active ECM remodeling,traced using a green fluorescence tagged(GFT)-GelMA *** enhances nascent pericellular matrix production by the encapsulated hMeSPCs,which gradually compensates for the hydrogel loss in the *** findings demonstrate the strong tissue-forming ability of hMeSPCs,and the importance of mechanical factors in maintaining meniscus homeostasis.

关键词： Human meniscus progenitor cells 3D cell-based constructs Biomimetic cyclic loading GelMA hydrogel Extracellular matrix

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Microwave synthesis of high-entropy alloy catalysts on graphene oxide sheets for oxygen reduction and evolution reactions

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International Journal of Hydrogen Energy 2024年 53卷 999-1008页

作者： Khan, Jala Bib Panda, Pradeep Kumar Yang, Po-Chih Hsieh, Chien-Te Gandomi, Yasser Ashraf Liu, Wei-Ren Chang, Jeng-Kuei Department of Chemical Engineering and Materials Science Yuan Ze University Taoyuan 32003 Taiwan Department of Mechanical Aerospace and Biomedical Engineering University of Tennessee Knoxville 37996 TN United States Department of Chemical Engineering Massachusetts Institute of Technology Cambridge 02142 MA United States Department of Chemical Engineering R&D Center for Membrane Technology Center for Circular Economy Chung Yuan Christian University Taoyuan 32023 Taiwan Department of Materials Science and Engineering National Yang Ming Chiao Tung University Hsinchu 30010 Taiwan

High-entropy alloys (HEAs) are commonly synthesized through solid-state reactions and solution-mediated techniques. In this work, HEA nanoparticles were synthesized using an ultra-efficient pulse microwave (PM) method at relatively low temperatures (∼100 °C) with superior catalytic activities. During the PM synthesis process, the precursors of the reaction activate and accelerate the reaction owing to the release of localized and excessive energy. This leads to the formation of a crystallized high-entropy alloy (HEA). Pt₃₀Al₁₅Mn₁₅Co₁₀Ni₁₅Cu₁₅ and Pt₃₀Al₁₅Mn₁₅Co₁₀Ni₁₅Fe₁₅ HEA nanoparticles were synthesized without requiring additional external heat treatments. Furthermore, the synthesized entropically stable HEA nanoparticles showed excellent dispersion behavior towards graphene oxide (GO) sheets (particle size: 4–10 nm), this enhanced dispersion resulted in improved catalytic activity and long-term durability for various processes including H₂ adsorption/desorption, oxygen reduction reaction (ORR), and oxygen evolution reaction (OER). The robust design of Cu-HEA-GO catalytic nanoparticles leads to increased synergistic interactions, which play a critical role in enhancing the ORR/OER activity. We firmly believe that the framework established in this study paves the way for the development of various high-performance catalysts based on HEAs for applications in fuel cells, metal-air batteries, and other electrochemical devices. © 2023 Hydrogen Energy Publications LLC

关键词： Electrochemical catalysts Graphene oxide High entropy alloy Oxygen reduction reaction Pulse microwave approach

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Slip Risk Assessment of Commonly Employed Athletic Footwear Tread Patterns in the Indoor Sports Activity of Badminton 3rd

Slip Risk Assessment of Commonly Employed Athletic Footwear ...

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3rd International Conference on Sports engineering, ICSE 2023

作者： Chatterjee, Subhodip Biswas, Binoy Krishna Bhattacharyya, Suvanjan Gupta, Shubham Chanda, Arnab Centre for Biomedical Engineering Indian Institute of Technology Delhi Hauz Khas New Delhi India Department of Applied Science and Humanities B.P Poddar Institute of Management and Technology Kolkata India Department of Mechanical Engineering BITS Pilani India New Delhi India

ISBN: (纸本)9789819782963

Walking, jogging, or leaping can be done with exceptional plantar comfort thanks to modern athletic footwear. On the other hand, a perceptual illusion is produced when harmful plantar loads cause minimal felt plantar discomfort. This leads to insufficient impact-moderating behavior and subsequent injury. Sports footwear goods are in high demand due to the notable increase in physical activity. The footwear business has had to increase product variety, shorten timeframes for product development, and offer customized goods in order to stay competitive. To measure the functionalities of athletic footwear, evaluations are essential in product development, developing prototypes, biomechanics, and other domains. These include the mitigation of impact forces during motion, traction, and motion control. In this work, the level of optimum athletic performance was determined for certain Indian-based footwear brands. Five athletic footwears from some of the leading Indian footwear manufacturers were selected for slip risk assessment studies in an athletic activity flooring. Shore A hardness was measured with the help of a durometer for all the athletic footwear selected for the study. The heel tread contact area of all the athletic shoes was also determined prior to the questionnaire survey and athletic evaluation by the participants. The evaluation was performed on the flooring of a badminton court. The participants were asked to wear the five selected athletic footwears and then perform their practice session accordingly. Their responses were recorded which included the attributes from footwear comfort, slipping probability and ease of athletic effectiveness. On the basis of these feedback, the most optimum footwear outsole tread pattern was shortlisted. © The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2025.

关键词： Risk assessment

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Development and Prototyping of an Arduino UNO System for Studying Light Effects on Mesenchymal Stem Cell

Development and Prototyping of an Arduino UNO System for Stu...

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IEEE International Scientific Conference on Informatics

作者： Veronika Sedláková Radovan Hudák Norbert Ferenčík Peter Kneppo Department of Biomedical Engineering Faculty of Mechanical Engineering Technical University of Kosice Košice Slovakia Department of Biomedical Engineering Faculty of Biomedical Engineering Czech Technical University in Prague Praha Czech Republic

ISBN: (数字)9798350387681

ISBN: (纸本)9798350387698

This article presents the design and application of an Arduino UNO-based system incorporating nine red Light Emitting Diodes (LEDs) and a temperature and humidity sensor (DHT22) for research on mesenchymal stem cells (MSCs). The development of this prototype was motivated by existing researchs indicating the beneficial effects of red light on MSCs and the critical importance of maintaining consistent temperature conditions for preserving MSC viability and function. Future studies utilizing this system will investigate the impact of specific light wavelengths on MSC proliferation and differentiation, addressing gaps identified in previous studies and advancing our understanding of light-induced effects on MSC behavior.

关键词： Temperature sensors Integrated circuits Printed circuits Prototypes Stem cells Humidity DH-HEMTs Light emitting diodes Temperature control Informatics

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Dynamics of self-hybridized exciton–polaritons in 2D halide perovskites

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Light(Science & Applications) 2024年第1期13卷 13-22页

作者： Surendra B.Anantharaman Jason Lynch Christopher E.Stevens Christopher Munley Chentao Li Jin Hou Hao Zhang Andrew Torma Thomas Darlington Francis Coen Kevin Li Arka Majumdar PJames Schuck Aditya Mohite Hayk Harutyunyan Joshua R.Hendrickson Deep Jariwala Department of Electrical and Systems Engineering University of PennsylvaniaPhiladelphiaPA19104USA KBR Inc. BeavercreekOH45431USA Air Force Research Laboratory Sensors DirectorateWright-Patterson Air Force BaseOH45433USA Department of Physics University of WashingtonSeattleWA98195USA Department of Physics Emory UniversityAtlantaGA30322USA Department of Chemical and Biomolecular Engineering Rice UniversityHoustonTX77005USA Department of Materials Science and Nanoengineering Rice UniversityHoustonTX77005USA Applied Physics Program Smalley‐Curl InstituteRice UniversityHoustonTX77005USA Department of Mechanical Engineering Columbia UniversityNew YorkNY10027USA Department of Electrical and Computer Engineering University of WashingtonSeattleWA98195USA

Excitons,bound electron–hole pairs,in two-dimensional hybrid organic inorganic perovskites(2D HOIPs)are capable of forming hybrid light-matter states known as exciton-polaritons(E–Ps)when the excitonic medium is confined in an optical *** the case of 2D HOIPs,they can self-hybridize into E–Ps at specific thicknesses of the HOIP crystals that form a resonant optical cavity with the ***,the fundamental properties of these self-hybridized E–Ps in 2D HOIPs,including their role in ultrafast energy and/or charge transfer at interfaces,remain ***,we demonstrate that>0.5µm thick 2D HOIP crystals on Au substrates are capable of supporting multiple-orders of self-hybridized E–P *** E–Ps have high Q factors(>100)and modulate the optical dispersion for the crystal to enhance sub-gap absorption and *** varying excitation energy and ultrafast measurements,we also confirm energy transfer from higher energy E–Ps to lower energy E–***,we also demonstrate that E–Ps are capable of charge transport and transfer at *** findings provide new insights into charge and energy transfer in E–Ps opening new opportunities towards their manipulation for polaritonic devices.

关键词： charge polar excitation

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A multifocal acoustic lens-transducer system for reverberant Optical Coherence Elastography 10

A multifocal acoustic lens-transducer system for reverberant...

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Optical Elastography and Tissue Biomechanics X 2023

作者： Mekonnen, Taye Schill, Alexander W. Zevallos-Delgado, Christian Singh, Manmohan Aglyamov, Salavat R. Larin, Kirill V. Department of Biomedical Engineering University of Houston 3517 Cullen Blvd. Room 2027 HoustonTX77204 United States Department of Mechanical Engineering University of Houston HoustonTX77204 United States

ISBN: (纸本)9781510658677

Reverberant optical coherence elastography (RevOCE) relies on multiple external excitation sources, such as mechanical actuators or vibrators, to produce random waves propagating in arbitrary directions. In this work, a preliminary study on acoustic beam manipulation to produce multi-focal acoustic radiation force is introduced using a planar ultrasound transducer and a 3D-printed acoustic lens array for RevOCE. An unfocused acoustic beam generated by an ultrasound transducer with 1 MHz central frequency and 38-mm element diameter was coupled to seven uniformly distributed acoustic focusing lenses. The spatial distribution of the acoustic field at the focal plane was measured with a needle hydrophone. The effectiveness of the system in generating reverberant shear wave fields was assessed by performing RevOCE imaging of tissue-mimicking gelatin phantoms. The multi-focus acoustic lens-transducer system was coupled with a phase-sensitive optical coherence tomography (PhS-OCT) system. The RevOCE measurement was conducted by sending ten cycles of a tone burst at 2 kHz. The measured acoustic pressure field showed that the array of concave spherical acoustic lenses spatially distributed the acoustic energy into multiple focal spots in the desired focal plane. Furthermore, RevOCE imaging in tissue-mimicking phantom indicated the effectiveness of the acoustic lens-transducer system in inducing reverberant shear wave fields for probing mechanical properties. © 2023 SPIE.

关键词： Acoustic wave propagation

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Active Tip Trajectory Control in Zig-Zag Soft Actuators using Modular Strain-Limiting Layers with Phase-Changing Inclusions

Active Tip Trajectory Control in Zig-Zag Soft Actuators usin...

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IEEE International Conference on Soft Robotics (RoboSoft)

作者： P. D. S. Hiroshan Gunawardane G. E. Zesiro P. Cheung H. Zhou G. Alici M. Chiao Department of Mechanical Engineering University of British Columbia Canada School of Mechanical Material Mechatronic and Biomedical Engineering University of Wollongong Australia

ISBN: (数字)9798331520205

ISBN: (纸本)9798331520212

Soft actuators are increasingly employed as an alternative to rigid actuators for delicate applications that demand high flexibility and adaptability. Typically fabricated from compliant materials, soft actuators exhibit significant flexibility. However, when alternative movements beyond their primary motion are required, these actuators often need to be redesigned or re-fabricated, which limits their versatility. This research introduces an innovative design for variable stiffness soft pneumatic actuators (SPAs) by incorporating a modular strain-limiting layer (SLL) embedded with phase-changing inclusions, enabling active control of the tip trajectory in 3D-printed zig-zag SPAs. The modular SLLs are fabricated using phase-changing inclusions composed of 40% high aspect ratio Field’s Metal particles in EcoFlex. The results demonstrate that employing three modular SLLs on a single side of the SPA allows active switching between eight distinct stiffness configurations, thereby achieving eight unique tip trajectories. This capability significantly enhances the working envelope and range of tip trajectories compared to conventional SPAs, providing greater adaptability and functionality for a broader range of applications.

关键词： Pneumatic actuators Metals Switches Soft robotics Trajectory

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Spectral Learning of Shared Dynamics Between Generalized-Linear Processes 38

Spectral Learning of Shared Dynamics Between Generalized-Lin...

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38th Conference on Neural Information Processing Systems, NeurIPS 2024

作者： Oganesian, Lucine L. Sani, Omid G. Shanechi, Maryam M. Ming Hsieh Department of Electrical and Computer Engineering University of Southern California Los AngelesCA United States Ming Hsieh Department of Electrical and Computer Engineering Thomas Lord Department of Computer Science Alfred E. Mann Department of Biomedical Engineering Neuroscience Graduate Program University of Southern California Los AngelesCA United States

Generalized-linear dynamical models (GLDMs) remain a widely-used framework within neuroscience for modeling time-series data, such as neural spiking activity or categorical decision outcomes. Whereas the standard usage of GLDMs is to model a single data source, certain applications require jointly modeling two generalized-linear time-series sources while also dissociating their shared and private dynamics. Most existing GLDM variants and their associated learning algorithms do not support this capability. Here we address this challenge by developing a multi-step analytical subspace identification algorithm for learning a GLDM that explicitly models shared vs. private dynamics within two generalized-linear time-series. In simulations, we demonstrate our algorithm's ability to dissociate and model the dynamics within two time-series sources while being agnostic to their respective observation distributions. In neural data, we consider two specific applications of our algorithm for modeling discrete population spiking activity with respect to a secondary time-series. In both synthetic and real data, GLDMs learned with our algorithm more accurately decoded one time-series from the other using lower-dimensional latent states, as compared to models identified using existing GLDM learning algorithms. © 2024 Neural information processing systems foundation. All rights reserved.

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