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Transforming organic chemistry research paradigms:Moving from manual efforts to the intersection of automation and artificial intelligence

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National science Open 2024年第2期3卷 98-127页

作者： Chengchun Liu Yuntian Chen Fanyang Mo School of Materials Science and Engineering Peking UniversityBeijing 100871China Ningbo Institute of Digital Twin Eastern Institute of TechnologyNingbo 315000China AI for Science(AI4S)-Preferred Program Peking University Shenzhen Graduate SchoolShenzhen 518055China

Organic chemistry is undergoing a major paradigm shift,moving from a labor-intensive approach to a new era dominated by automation and artificial intelligence(AI).This transformative shift is being driven by technological advances,the ever-increasing demand for greater research efficiency and accuracy,and the burgeoning growth of interdisciplinary *** models,supported by computational power and algorithms,are drastically reshaping synthetic planning and introducing groundbreaking ways to tackle complex molecular *** addition,autonomous robotic systems are rapidly accelerating the pace of discovery by performing tedious tasks with unprecedented speed and *** article examines the multiple opportunities and challenges presented by this paradigm shift and explores its far-reaching *** provides valuable insights into the future trajectory of organic chemistry research,which is increasingly defined by the synergistic interaction of automation and AI.

关键词： organic chemistry automation platform artificial intelligence algorithms

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A Comparative Study of the Effect of Compounding Methods and Processing of PLA/GNPs on the Micromorphology and Electrical Conductivity 38

A Comparative Study of the Effect of Compounding Methods and...

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38th Technical Conference of the American Society for Composites, ASC 2023

作者： Anurakparadorn, Kanat Taub, Alan Department of Materials Science and Engineering Macromolecular Science and Engineering Program University of Michigan 2300 Hayward St Ann ArborMI48109 United States Department of Mechanical Engineering University of Michigan 2350 Hayward St Ann ArborMI48109 United States

ISBN: (纸本)9781605956916

In this work, the effects of different compounding and processing techniques on the DC electrical conductivity and density of polylactic acid (PLA)/graphene nanoplatelets (GNPs) composites were studied. It is found from the study that compounding by solution mixing via an ultrasonication technique can provide slightly higher DC electrical conductivity after compression molding than mixing through a twin-screw extruder due to better dispersion quality. In addition, a composite pellet from twin screw extrusion showed a slight increase in DC electrical conductivity and anisotropy when processed by filament extrusion due to the shear alignment of GNPs during the extrusion. The fused deposition modeling (FDM) process yields high anisotropy because the crystallization along the printing path allows gaps and polymer coating between the extruded lines and layers. It was found that the 7.5 wt% GNPs composites exhibited the best properties because it provides the best dispersion quality to meet the percolation threshold. Furthermore, the micromorphology of each sample was also studied to observe the dispersion and porosity inside the composite provided by each fabrication technique. This study can be used as a reference for compounding and processing techniques. © 2023 by DEStech Publications, Inc. and American Society for Composites. All rights reserved.

关键词： Mixing

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Preface to the Special Issue:Anode materials for Rechargeable Batteries

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Acta Metallurgica Sinica(English Letters) 2021年第3期34卷 289-290页

作者： Jianmin Ma Yu-Tao Li School of Physics and Electronics Hunan UniversityChangsha 410082China Materials Science and Engineering Program and Texas Materials InstituteThe University of Texas At AustinAustinTX 78712USA

Rechargeable Li-ion batteries were first commercialized in 1991 by Sony company,and the current portable electronic devices and electric vehicles powered by rechargeable batteries have significantly accelerated the development of social *** Nobel Prize in Chemistry 2019 was also awarded jointly to John ***,*** Whittingham,and Akira Yoshino for their outstanding contribution to rechargeable Li-ion batteries.

关键词： charge jointly enough

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Sensitivity improvement of fluoroalkylated EUV resist with electron-rich vinyl units 41

Sensitivity improvement of fluoroalkylated EUV resist with e...

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Advances in Patterning materials and Processes XLI 2024

作者： Kim, Gayoung Ku, Yejin Lee, Jin-Kyun Kim, Jiho Park, Byeong-Gyu Lee, Sangsul Jang, Yu Ha Jung, Byung Jun Koh, Chawon Nishi, Tsunehiro Kim, Hyun-Woo Program in Environment and Polymer Engineering Inha University Incheon22212 Korea Republic of Department of Polymer Science and Engineering Inha University Incheon22212 Korea Republic of Pohang Accelerator Laboratory Postech Pohang37673 Korea Republic of Department of Materials Science and Engineering University of Seoul Seoul02504 Korea Republic of Samsung Electronics Co. Ltd. Semiconductor R&d Center Suwon18448 Korea Republic of Department of Materials Science and Engineering Yonsei University Seoul03722 Korea Republic of

ISBN: (纸本)9781510672208

In this study, we present a method to enhance the sensitivity of fluorinated EUV resists by leveraging the rapid coupling reaction between electrophilic carbon radicals and electron-rich alkenes. To validate the impact of the vinyl groups, DVS-HNF was synthesized by introducing fluorinated alkyl chains and silyl vinyl functional groups into the model compound. Additionally, TMS-HNF and EDMS-HNF, which do not contain a vinyl moiety, were synthesized for comparison. To evaluate the patterning properties of the three materials, e-beam lithography experiments were conducted, resulting in the formation of negative-tone patterns for all three materials. Comparing sensitivities, DVS-HNF with two vinyl moieties exhibited the most excellent sensitivity, confirming the effective collaboration between fluorinated alkyl radicals and vinyl groups. After performing an EUV lithography experiment on DVS-HNF, it was confirmed that a 30 nm negative-tone pattern was successfully formed with excellent sensitivity. These results substantiate the potential of the single-component molecular resist for high performance EUV lithography. © COPYRIGHT SPIE. Downloading of the abstract is permitted for personal use only.

关键词： Extreme ultraviolet lithography

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Superhydrophobic fluoride conversion coating on bioresorbable magnesium alloy——fabrication,characterization,degradation and cytocompatibility with BMSCs

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Journal of Magnesium and Alloys 2021年第4期9卷 1252-1266页

作者： Chunyan Zhanga Shiyu Zhang Dongwei Sun Jiajia Lin Fancheng Meng Huinan Liu School of Materials Science&Engineering Chongqing University of TechnologyNo.69 Hongguang AvenueChongqing 400054China Department of Bioengineering and the Materials Science and Engineering ProgramUniversity of CaliforniaRiverside900 University AvenueMSE 205RiversideCA 92521USA

A micro-nano structure CaF_(2)chemical conversion layer was prepared on fluoride-treated AZ31 alloy,then the composite fluoride conversion film(CaF_(2)/MgF_(2))was modified by stearic acid(SA)and fabricated a superhydrophobic *** fluoride-treated magnesium,fluoride conversion film and superhydrophobic coating were characterized by SEM,EDS,XRD and *** properties of coatings1 adhesion and corrosion resistance were evaluated via tape test and electrochemical *** cytocompatibility of the MgF_(2),CaF_(2)and superhydrophobic CaF_(2)/SA surface was investigated with bone marrow-derived mesenchymal stem cells(BMSCs)by direct culture for 24 *** results showed that the superhydrophobic fluoride conversion coating composed of inner MgF_(2)layer and the outer CaF_(2)/SA composite layer had an average water contact angle of 152°.SA infiltrated into the micro-nano structure CaF_(2)layer and formed a strong adhesion with CaF_(2)***,the super-hydrophobic coating showed higher barrier properties and corrosion resistance compared with the fluoride conversion film and fluoride-treated AZ31 *** BMSC adhesion test results demonstrated MgF_(2)CaF_(2)and CaF_(2)/SA coatings were all nontoxic to *** the condition of in direct contact with cells,MgF_(2)showed higher cell density and enhanced the BMSCs proliferation,while CaF_(2)and CaF_(2)/SA coating showed no statistically difference in cell density compared with glass reference but the CaF_(2)and CaF_(2)/SA coating were not conducive to BMSCs adhesion.

关键词： Biodegradable Magnesium alloy Superhydrophobic Fluoride conversion film Cytocompatibility

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Manufacturing of PEEK-PDMS Composite materials for Intervertebral Disc Implants 23

Manufacturing of PEEK-PDMS Composite Materials for Intervert...

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23rd International Conference on Electronics Packaging, ICEP 2024

作者： Mie, Heng-Ching Liu, Yu-Chen Mizuno, Jun National Cheng Kung University Department Of Materials Science And Engineering Taiwan National Cheng Kung University Program On Smart And Sustainable Manufacturing Academy Of Innovative Semiconductor And Sustainable Manufacturing Taiwan National Cheng Kung University Department Of Mechanical Engineering Taiwan

ISBN: (纸本)9784991191176

The current treatment approach for lower back pain caused by intervertebral disc (IVD) degeneration involves the use of PEEK (polyether ether ketone) polymer or titanium alloy based spinal cages to replace the degenerated IVD. However, this method not only restricts the natural mobility of the vertebrae but also fails to mimic the structure and function of the human IVD with a single material. Additionally, the use of high-hardness materials may lead to vertebral settling, further contributing to lower back pain. Therefore, this study is dedicated to utilizing high-biocompatibility polymer (PEEK and Polydimethylsiloxane (PDMS)) composites to create an artificial IVD closely mimics the real intervertebral disc. Through adjusting the manufacture parameters, the proportion of PEEK and PDMS, and the porosity we were able to achieve the elastic modulus that is close to those of humans' IVD. Furthermore, the dual-layer structure can better replicate the functions and structure of human intervertebral disc then spinal cage. © 2024 Japan Institute of Electronics Packaging.

关键词： Polydimethylsiloxane

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WE43 Surface Composite with Oxide Particles by Friction Stir Processing

WE43 Surface Composite with Oxide Particles by Friction Stir...

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Magnesium Technology Symposium, 2025, held as part of the TMS Annual Meeting and Exhibition, TMS 2025

作者： Ghauri, Hamza Faisal Shunmugasamy, Vasanth C. Mansoor, Bilal Department of Materials Science and Engineering Texas A&M University College StationTX77840 United States Mechanical Engineering Program Texas A&M University at Qatar Doha Qatar Department of Mechanical Engineering Texas A&M University College StationTX77840 United States

ISBN: (纸本)9783031810602

WE43WE43 has superior mechanical and corrosionCorrosion performance compared to other magnesium alloysMagnesium alloy but surface treatments, mechanical processes, and heat treatments to further enhance its properties continue to be explored. Here we present our preliminary findings about a WE43WE43surface compositeSurface composite with oxide particles produced using friction stir processingFriction stir processing. Significant grain refinement, precipitate redistribution, and increase in microhardness by 25% were achieved in processed regions compared to base material. CorrosionCorrosion testing in 0.9% NaCl solution revealed that the FSP-treated material exhibited a 196% lower Icorr and a more stable open circuit potential (OCP) than cast WE43WE43, suggesting superior corrosion resistanceCorrosion resistance. While the findings promise suitability of the processed alloy for a more intensive range of operating conditions than the cast alloy, further work to study the effect of the size, volume, and composition of the oxide reinforcements needs to be carried out. © The Minerals, Metals & materials Society 2025.

关键词： Grain refinement

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Thermomechanical Characterization of Hot Surface Ignition Device Using Phenomenological Heat Flux Model

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JOURNAL OF PROPULSION AND POWER 2022年第4期38卷 656-670页

作者： Kang, Sang-Guk Ryu, Je Ir Motily, Austen H. Numkiatsakul, Prapassorn Lee, Tonghun Kriven, Waltraud M. Kim, Kenneth S. Kweon, Chol-Bum M. U.S. Army Research Laboratory Aberdeen Proving Ground MD 21005 Aerospace Engineer Weapons and Materials Research Directorate Postdoctoral Fellow Computational and Information Sciences Directorate University of Illinois at Urbana-Champaign Urbana IL 61801 Graduate Student Department of Mechanical Science and Engineering. Student Member AIAA Graduate Student Department of Materials Science and Engineering Professor Department of Mechanical Science and Engineering. Associate Fellow AIAA Professor Department of Materials Science and Engineering Mechanical Engineer Computational and Information Sciences Directorate. Member AIAA Program Manager Computational and Information Sciences Directorate. Member AIAA.

Modern aircraft compression ignition engines that seek to achieve fuel-flexible operation require ignition-assisting devices to perform reliably. Many military propulsion systems, and unmanned aircraft in particular, can use hot surface energy addition to improve engine performance. An analysis of the thermomechanical stress behavior of hot surface ignition devices is therefore critical to ensure that they can satisfy new operational requirements. In this paper, a phenomenological heat-flux model is proposed to simulate heat generation inside a heating element. Two finite element analysis models are established using the proposed heat-flux model in order to characterize the transient thermomechanical behavior of an ignition assistant: a two-dimensional (2-D) axisymmetric model with an equivalent cylindrical heating element and a three-dimensional (3-D) solid model with realistic heating element geometry. The transient behavior of the ignition assistant is investigated at standard conditions by characterizing the temperature and thermal stress inside the device for various input voltages. The effect of the nonaxisymmetric heating element geometry on the temperature and thermal stress distribution is assessed. Furthermore, the 3-D ignition assistant model is used to analyze the thermomechanical behavior of an ignition device subjected to a combustion event inside a rapid compression machine. Multiple circumferential orientations of the heating element plane relative to the spray axis are investigated. Results demonstrate that the observed maximum principal stress depends significantly on heating element orientation.

关键词： Heat Flux Stress Distribution Heat Generation Unmanned Aerial Vehicle Propulsion System Surface Energy Adaptive Mesh Refinement Fuel Injection CFD Simulation Fracture Toughness

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Reusable Hydrogen Storage Tank with Flange Design 10

Reusable Hydrogen Storage Tank with Flange Design

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10th International Conference on Applied System Innovation, ICASI 2024

作者： Li, Yun-Qi Chen, Hsuan-Jung Yang, Hsi-Wen Chen, Chih-Yuan Chang, Shao-Fu Chen, Ssu-Ying Chen, Chien-Chon College of Engineering and Science Ph.D. Program in Materials and Chemical Engineering National United University Miaoli Taiwan Michigan State University Department of Chemistry MI48824 United States National United University Department of Materials Engineering Miaoli Taiwan Graduate Institute of Intellectual Property National Taipei University of Technology Taiwan National United University Department of Energy Engineering Miaoli Taiwan

ISBN: (纸本)9798350394924

For how to store and transport hydrogen, the first thought is to store hydrogen directly in the cylinder. However, this method is not desirable, because generally at least 700 atm high pressure, the hydrogen contained in the cylinder to be useful. Therefore it is very unsafe at such high pressures. In This paper, we design and production of a new generation of solid-state hydrogen storage and discharge container. The goal of 'development of solid-state hydrogen storage technology' is to break through the bottlenecks of hydrogen storage technology safety, hydrogen storage density, high-efficiency hydrogen absorption and release, transportation safety, and engineering practice. © 2024 IEEE.

关键词： Aluminum

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Injectable Platelet-Rich Fibrin in Contact with Bone Substitutes, Porous Zirconia, or Laser-Textured Implant Surfaces: A Detailed Morphological Analysis

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Biomedical materials and Devices 2024年第1期2卷 415-426页

作者： Oliveira, Miguel Noronha Varela, Hugo Almeida Nascimento, Rubens M. Sahoo, Narayan Carvalho, Oscar Henriques, Bruno Souza, Júlio C. M. Ceramic and Composite Materials Research Group (CERMAT) Department of Mechanical Engineering (EMC) Federal University of Santa Catarina (UFSC) Post-graduate Program in Materials Science and Engineering Federal University of Rio Grande Norte (UFRN) Center for MicroElectroMechanical Systems (CMEMS-UMINHO) Universidade do Minho LABBELS - Associate Laboratory University of Minho University Institute of Health Sciences (IUCS) CESPU

The aim of the present study was to perform a detailed morphological analysis of an injectable platelet rich fibrin after combination with two different particulate hydroxyapatite-based granules, a porous zirconia block, and laser-textured zirconia or titanium surfaces. Blood samples were harvested from three participants to prepare the flowable injectable PRF in contact or not with particulate hydroxyapatite (Hap), bone mineral granules (DBBM), porous zirconia blocks, laser-textured titanium or zirconia surfaces. Optical and scanning electron microscopy (SEM) were used to evaluate the fibrin network density, fibrin fibers’ diameter, blood cells, and the interaction of PRF with the biomaterials. Histomorphometry of the flowable PRF was also performed using the hematoxylin–eosin staining protocol. Specimens were independently evaluated by two blinded and well-trained researchers in histomorphometry and microscopy. Particulate Hap and DBBM shown different morphological aspects by SEM analyses since DBBM revealed macro- and micro-scale pores while Hap revealed a dense structure. Hydroxyapatite and DBBM granules were entirely embedded by the fibrin-network in the presence of leukocytes and blood platelets. The zirconia porous structured was filled with PRF and its components. Also, the laser-structured zirconia or implant surfaces were entirely coated with the PRF fibrin network embedding leukocytes and blood platelets. Laser-textured titanium surfaces revealed macro- and micro-scale irregularities that increase the surface area and retention of the injectable PRF. Histomorphometric analyses revealed complementary details on the distribution of lymphocytes, red blood cells, and fibrin associated with platelet aggregation. The flowing and viscosity of an injectable platelet rich fibrin provided an agglomeration of synthetic or xenogeneic particulate bone substitutes and the coating of porous zirconia and textured implant surfaces as inspected by scanning electron microsc

关键词： Bone healing Bone substitutes Histology Morphology Platelet-rich fibrin

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