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arXiv 2023年

作者： Felsted, Robert G. Chun, Jaehun Schenter, Gregory K. Bard, Alexander B. Xia, Xiaojing Pauzauskie, Peter J. Department of Chemistry University of Washington SeattleWA98195 United States Physical Sciences Division Physical and Computational Sciences Directorate Pacific Northwest National Laboratory RichlandWA99352 United States Levich Institute Department of Chemical Engineering CUNY City College New YorkNY10031 United States Department of Molecular Engineering and Science University of Washington SeattleWA98195 United States Materials Science and Engineering Department University of Washington SeattleWA98195 United States

Rigorous understanding of the self-assembly of colloidal nanocrystals is crucial to the development of tailored nanostructured materials. Despite extensive studies, a mechanistic understanding of self-assembly under non-equilibrium driven by an external field remains an ongoing challenge. We demonstrate self-assembly by optical tweezers imposing an external attractive field for cubic-phase sodium yttrium fluoride nanocrystals. We show that surface roughness of the nanocrystals is a decisive factor for contact leading to assembly between the nanocrystals, manifested by the roughness-dependent hydrodynamic resistivity. This provides direct evidence that dynamics are equally important to energetics in understanding self-assembly. These results have implications in a wide variety of different fields, such as in understanding the factors that mediate oriented attachment-based crystal growth or in interpreting the structure of binding sites on viruses. Copyright © 2023, The Authors. All rights reserved.

关键词： Nanocrystals

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Scaling Ipsc Production in Different 3d Platforms in Suspension Culture for Their Use in Allogeneic Regenerative Therapies

SSRN

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SSRN 2024年

作者： Freire-Flores, Danton Kawles, Nyna Caviedes, Pablo Andrews, Barbara A. Asenjo, Juan A. Centre for Biotechnology and Bioengineering Faculty of Physical and Mathematical Sciences Universidad de Chile Beaucheff 851 Santiago8370448 Chile Department of Chemical Engineering Biotechnology and Materials Universidad de Chile Beaucheff 851 Santiago8370448 Chile Program of Molecular and Clinical Pharmacology ICBM Faculty of Medicine University of Chile Independencia 1027 Santiago8379482 Chile

Human induced pluripotent stem cells (iPSCs) exhibit significant potential for advancing regenerative medical treatments due to their pluripotency and proliferation capacity. However, the large-scale production required for allogeneic therapies necessitates efficient and scalable culture systems. Conventional 2D culture techniques are inadequate for this, driving interest for innovative bioreactor-based expansion techniques such as microcarrier-based or suspension aggregate cultures. In this study, we compare iPSC expansion and quality in microcarrier and aggregate cultures in spinner flasks, aiming to ascertain which 3D growth configuration yields superior cell mass while maintaining cellular product quality. We demonstrated comparable expansion of iPSCs on Cytodex 1 and Cultisphere G microcarriers, as well as in aggregates by day 6 in culture, achieving a final cell density of 2.6*10^6 cells/ml and 5.67*10^6 cells/ml on microcarriers respectively, and 9.76*10^6 cells/ml in aggregates, yielding 4- and 9-fold expansion on microcarriers and 15-fold in aggregates. The efficiency in the recovery of iPSCs in single-cell form was over 91.5% for all cultures. iPSCs cultured on microcarriers and as aggregates exhibit OCT3/4, SSEA4, TRA-1-60, and SOX2 pluripotency marker expression, as well as retention of differentiation potential into three germinal layers. This work supports the utilization of microcarriers and aggregates as an efficient 3D expansion platform for suspension cultures of iPSCs, in the quest to further scale production in larger stirred-tank bioreactor systems. © 2024, The Authors. All rights reserved.

关键词： Tanks (containers)

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Transferable screened range-separated hybrid functionals for electronic and optical properties of van der Waals materials

arXiv

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arXiv 2023年

作者： Camarasa-Gómez, María Ramasubramaniam, Ashwin Neaton, Jeffrey B. Kronik, Leeor Department of Molecular Chemistry and Materials Science Weizmann Institute of Science Rehovoth7610001 Israel Department of Mechanical and Industrial Engineering University of Massachusetts Amherst AmherstMA01003 United States Materials Science and Engineering Graduate Program University of Massachusetts Amherst AmherstMA01003 United States Department of Physics University of California BerkeleyCA94720 United States Materials Sciences Division Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Kavli Energy NanoSciences Institute at Berkeley University of California BerkeleyCA94720 United States

The accurate description of electronic properties and optical absorption spectra is a long-standing challenge for density functional theory. Recently, the introduction of screened range-separated hybrid (SRSH) functionals for solid-state materials has allowed for the calculation of fundamental band gaps and optical absorption spectra that are in very good agreement with many-body perturbation theory. However, since solid-state SRSH functionals are typically tuned to reproduce the properties of bulk phases, their transferability to low-dimensional structures, which experience substantially different screening than in the bulk, remains an open question. In this work, we explore the transferability of SRSH functionals to several prototypical van der Waals materials, including transition-metal sulfides and selenides, indium selenide, black phosphorus, and hexagonal boron nitride. Considering the bulk and a monolayer of these materials as limiting cases, we show that the parameters of the SRSH functional can be determined systematically, using only the band-edge quasiparticle energies of these extremal structural phases as fitting targets. The resulting SRSH functionals can describe both electronic bandstructures and optical absorption spectra with accuracy comparable to more demanding ab initio many-body perturbation theory (GW and Bethe-Salpeter equation) approaches. Selected examples also demonstrate that the SRSH parameters, obtained from the bulk and monolayer reference structures, display good accuracy for bandstructures and optical spectra of bilayers, indicating a degree of transferability that is independent of the fitting procedure. Copyright © 2023, The Authors. All rights reserved.

关键词： Transition metals

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TCR–pMHC bond conformation controls TCR ligand discrimination

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Cellular & molecular Immunology 2020年第3期17卷 203-217页

作者： Dibyendu KSasmal Wei Feng Sobhan Roy Peter Leung Yanran He Chufan Cai Guoshuai Cao Huada Lian Jian Qin Enfu Hui Hans Schreiber Erin JAdams Jun Huang The Pritzker School of Molecular Engineering The University of ChicagoChicagoILUSA Department of Biochemistry and Molecular Biology The University of ChicagoChicagoILUSA Department of Pathology The University of ChicagoChicagoILUSA Department of Materials Science&Engineering Stanford UniversityStanfordCAUSA Department of Chemical Engineering Stanford UniversityStanfordCAUSA Section of Cell&Developmental Biology Division of Biological SciencesUniversity of CaliforniaSan DiegoCAUSA

A major unanswered question is how a TCR discriminates between foreign and self-peptides presented on the APC ***,we used in situ fluorescence resonance energy transfer(FRET)to measure the distances of single TCR–pMHC bonds and the conformations of individual TCR–CD3ζreceptors at the membranes of live primary T *** found that a TCR discriminates between closely related peptides by forming single TCR–pMHC bonds with different conformations,and the most potent pMHC forms the shortest *** bond conformation is an intrinsic property that is independent of the binding affinity and kinetics,TCR microcluster formation,and CD4 *** bond conformation dictates the degree of CD3ζdissociation from the inner leaflet of the plasma membrane via a positive calcium signaling feedback loop to precisely control the accessibility of CD3ζITAMs for *** data revealed the mechanism by which a TCR deciphers the structural differences among peptides via the TCR–pMHC bond conformation.

关键词： Bond conformation T cell receptor Single molecule FRET ligand discrimination

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Fluffy LDH/GO 2D membrane for rapid removal of soluble pollutants and enhanced catalytic self-cleaning performance

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Green chemical engineering 2024年

作者： Zhang, Ruilong Zhao, Jun Jia, Qiangqiang Ye, Jian Tian, Xiaohua Lulu, Wang Akaniro, Ifunanya R. Amaniampong, Prince N. Pan, Jianming Dai, Jiangdong Institute of Green Chemistry and Chemical Technology Advanced Chemical Engineering Laboratory of Green Materials and Energy of Jiangsu Province School of Chemistry and Chemical Engineering Jiangsu University Zhenjiang212013 China The Sino-Forest Applied Research Centre for Pearl River Delta Environment Department of Biology Hong Kong Baptist University Hong Kong SAR 999077 China Institute of Advanced Materials Hong Kong Baptist University Hong Kong SAR 999077 China Institute for Science and Applications of Molecular Ferroelectrics Key Laboratory of the Ministry of Education for Advanced Catalysis Materials Zhejiang Normal University Jinhua321004 China Institut de Chimie des Milieux et Matériaux de Poitiers University of Poitiers CNRS 1 R UKue Marcel Doré Poitiers86073 France

The rapid expansion of the chemical and pharmaceutical industries has resulted in the introduction of various sources of micropollutants into the environment, posing threats to drinking water quality and public health. Membrane separation technology offers a promising solution with low energy use, high-quality effluent, and operational simplicity. Here, we developed fluffy layered double hydroxides (LDH)/GO 2D membranes, specifically tannic acid-mediated LDH-GO/GO-TA composite membranes (LG/GT). The integration of GO nanosheets regulated the growth of LDH, enhancing electron transfer and adsorption-driven catalytic performance. This design enabled LDH-GO to activate peroxymonosulfate (PMS) and completely degraded Rhodamine B (RhB) within 10 min. The Gaussian calculation was combined with this finding, which could explain the catalytic self-cleaning in the separation process. The TA-mediated enhancement further increased the RhB rejection of LG/GT-7.5 to 99.23%. Additionally, the needle/sheet structure significantly improved permeance to 358.28 L m−2 h−1 bar−1, surpassing the L/GT-7.5 performance (e.g. 338.53 L m−2 h−1 bar−1), indicating superior pore formation and water mass transfer. The heterostructure between GO and LDH greatly improved cycling stability, with the membrane maintaining a permeance of 282.71 L m−2 h−1 bar−1 and a rejection of 97.97% despite 20 cycles. This work demonstrated the potential of fluffy layered LDH 2D membranes for enhanced wastewater treatment applications. These findings suggested significant potential for practical implementation in industrial wastewater treatment processes, offering a sustainable and efficient solution to water pollution challenges. © 2024 Institute of Process engineering, Chinese Academy of sciences.

关键词： Wastewater treatment

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Tuning Electronic and Optical Properties of 2D/3D Construction based on Hybrid Perovskites through Interfacial Charge Transfer: Towards Higher Efficiency Solar Cells

arXiv

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arXiv 2024年

作者： Banerjee, Hrishit Nazeeruddin, Md. Khaja Chakraborty, Sudip Yusuf Hamied Department of Chemistry University of Cambridge Lensfield Road Cambridgeshire CambridgeCB2 1EW United Kingdom Group for Molecular Engineering of Functional Materials Institute of Chemical Sciences and Engineering École Polytechnique Fédérale de Lausanne Sion Valais Wallis Switzerland Chhatnag Road Jhunsi Prayagraj211019 India School of Science and Engineering University of Dundee Nethergate DD1 4HN United Kingdom

The 2D/3D construction of hybrid perovskite interfaces is gaining increasing attention due to their enhanced stability towards degradation without compromising the corresponding solar cell efficiency. Much of it is due to the interfacial charge transfer and its consequences on the electronic and optical response of the composite system, which are instrumental in the context of stability and efficiency. In this work, we have considered a case study of an experimentally motivated 2D/3D interface constructed based on Ruddlesden-Popper phases of (A43)2PbI4 and (A43)2MAPb2I7 hybrid perovskites to envisage the unique tuning of electronic and optical properties through the associated charge transfer. The corresponding tuning of the band gap is seen to be related to a unique charge transfer process between the 2D and 3D counterparts of the interface mediated from valence to conduction band edges of the composite. We have found that the optical absorption spectra can also be tuned by the construction of such a hetero-interface and the emergence of a unique two-peak step feature on the absorption edge, which is not present in either the 2D or 3D hybrid perovskites. Formation of the composite is found to increase the spectroscopic limited maximum efficiency for the use of these materials as solar cells from ≈ 24% for individual components to ≈ 32% for the composite hetero-structure. Copyright © 2024, The Authors. All rights reserved.

关键词： Perovskite

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engineering Pt-Pt Coordination Environment to Enhance the Four-Electron Oxygen Reduction Reaction

SSRN

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SSRN 2024年

作者： Wang, Feng Ryan Marlow, Sushila Darby, Matthew T. Xu, Ruoyu Kang, Liqun Gu, Hao Wang, Bolun Allen, Christopher S. Asakura, Hiroyuki Stamatakis, Michail Materials and Catalysis Laboratory United Kingdom Department of Chemical Engineering University College London Roberts Building Torrington Place LondonWC1E 7JE United Kingdom Electron Physical Science Imaging Center Diamond Light Source Ltd. DidcotOX11 0DE United Kingdom Department of Materials University of Oxford Parks Road OxfordOX1 3PH United Kingdom Department of Molecular Engineering Graduate School of Engineering Kyoto University Kyotodaigaku Katsura Nishikyo-ku Kyoto615-8510 Japan

The oxygen reduction reaction (ORR) in proton exchange membrane fuel cells plays an important role in the H2 economy. Pt-based alloy catalysts with tuned d-band centres are widely regarded as the most efficient catalysts. Here we report that the average size of Pt domains in a Pt-Pd alloy, described as the Pt-Pt coordination number (C.N.), may measure the coordination environment of Pt and its effect on the d-states, to serve as a key geometric descriptor for the ORR activity. The decrease of Pt-Pt C.N. from 10.8 in commercial Pt nanoparticles1 to 1.33 in Pt1Pd493 alloy leads to an exponential increase in the Pt mass activity from 0.18 to 4.86 A⋅mgPt-1. Density functional theory calculations show that low C.N. sites of Pt within the Pd host have low O-O dissociation barriers, favouring the four-electron dissociative pathway. The precise engineering of Pt-Pt C.N. in an alloy is critical for optimising metal use in the activation of chemically stable compounds, particularly in the context of catalysis for renewable energy. © 2024, The Authors. All rights reserved.

关键词： Nanoparticles

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Grain Selection Growth of Soft Metal in Electrochemical Processes

arXiv

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arXiv 2024年

作者： Zhang, Minghao Tantratian, Karnpiwat Ham, So-Yeon Wang, Zhuo Chouchane, Mehdi Shimizu, Ryosuke Bai, Shuang Yang, Hedi Liu, Zhao Li, Letian Avishai, Amir Chen, Lei Meng, Ying Shirley Pritzker School of Molecular Engineering The University of Chicago ChicagoIL60637 United States Department of Metallurgical Engineering Chulalongkorn University Bangkok10330 Thailand Materials Science and Engineering Program University of California La Jolla San DiegoCA92093 United States Department of Mechanical Engineering University of Michigan-Dearborn DearbornMI48128 United States Department of NanoEngineering University of California La Jolla San DiegoCA92093 United States Materials and Structural Analysis Thermo Fisher Scientific HillsboroOR97124 United States The Core Center of Excellence in Nano Imaging University of Southern California Los AngelesCA90089 United States

Soft metals like lithium and sodium play a critical role in battery technology owing to their high energy density. Texture formation by grain selection growth of soft metals during electrochemical processes is a crucial factor affecting power and safety. Developing a framework to understand and control grain growth is a multifaceted challenge. Here, a general thermodynamic theory and phase-field model are formulated to study grain selection growth of soft metals. Our study focuses on the interplay between surface energy and atomic mobility-related intrinsic strain energy in grain selection growth. Differences in grain selection growth arise from the anisotropy in surface energy and diffusion barrier of soft metal atoms. Our findings highlight the kinetic limitations of solid-state Li metal batteries, which originate from load stress-induced surface energy anisotropy. These insights lead to the development of an amorphous LixSi1-x (0.50 Copyright © 2024, The Authors. All rights reserved.

关键词： Solid-State Batteries

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Unleashing the Power of Nature: Eco-Friendly Mussel-Byssus-Inspired Pbs/Pbat Fishing Gear for Biodegradation by Marine Microbes

SSRN

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SSRN 2023年

作者： Hong, Yuri Yang, Ho-Sung Lee, Min Hee Kim, Sinyang Park, Sung Bae Hwang, Sung Yeon Park, Jeyoung Koo, Jun Mo Oh, Dongyeop Hwang, Dong Soo Gyeongsangbuk-do Pohang37673 Korea Republic of Ulsan44429 Korea Republic of Department of Plant & Environmental New Resources Graduate School of Biotechnology Kyung Hee University Gyeonggi-do 17104 Korea Republic of Department of Chemical and Biomolecular Engineering Sogang University Seoul04107 Korea Republic of Department of Organic Materials Engineering Chungnam National University Daejeon34134 Korea Republic of Department of Polymer Science and Engineering and Program in Environmental and Polymer Engineering Inha University Incheon22212 Korea Republic of

Abstract Abandoned, lost, and discarded fishing gear (ALDFG) poses global challenges for marine ecosystems as they destroy algal forests, the largest oceanic carbon dioxide sinks. Biodegradable polybutylene succinate (PBS), which has a tensile toughness similar to that of nylon, has been suggested as a potential fishing-gear material. However, its slow degradation in the marine environment and limited draping characteristics need to be addressed before it can be used in environmentally friendly fishing gear. Inspired by the mussel byssus, a mussel-thread-like holdfast known for its stiff yet extensible mechanical properties, we developed fishing gear using a mussel-byssus-mimetic fiber (artificial byssus, AB) structure. The AB was composed of poly(butylene adipate-co-butylene terephthalate) (PBAT) fibers with favorable draping characteristics coated with mechanically resilient and PBS, which demonstrated sufficient toughness and draping properties for use in fishing gear. The AB may serve as fishing-gear material capable of mitigating ALDFG issues, given its marine degradability by microbial strains that degrade PBS and PBAT. Furthermore, it could serve as a substrate for ocean afforestation, given the improved settlement and growth of seaweed spores (Pyropia yezoensis) on AB. Overall, AB-based fishing gear is expected to enhance macroalgal forest conservation and expansion, and facilitate marine carbon capture through marine afforestation. © 2023, The Authors. All rights reserved.

关键词： Butenes

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Biotoxicity of Halide Perovskites in Mice

引用

Advanced materials 2024年第2期36卷 2306860-2306860页

作者： Li, Guixiang Liu, Yong-Tao Yang, Feng Li, Meng Zhang, Zuhong Pascual, Jorge Wang, Zhao-Kui Wei, Shi-Zhe Zhao, Xin-Yuan Liu, Hai-Rui Zhao, Jin-Bo Lin, Chieh-Ting Li, Jun-Ming Li, Zhe Abate, Antonio Cantone, Irene Key Lab for Special Functional Materials Ministry of Education National & Local Joint Engineering Research Center for High-efficiency Display and Lighting Technology School of Materials Science and Engineering and Collaborative Innovation Center of Nano Functional Materials and Applications Henan University Kaifeng475004 China Helmholtz-Zentrum Berlin für Materialien und Energie Kekuléstraße 5 Berlin12489 Germany Department of Life Science and Technology Xinxiang Medical University Xinxiang453002 China Henan Key Laboratory of Photovoltaic Materials School of Physics Henan Normal University Xinxiang453007 China Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices Joint International Research Laboratory of Carbon-Based Functional Materials and Devices Soochow University Suzhou215123 China Department of Chemical Engineering National Chung Hsing University 145 Xingda Rd. South Dist. Taichung40227 Taiwan Queen Mary University of London LondonE1 4NS United Kingdom Department of Chemical Materials and Production Engineering University of Naples Federico II Piazzale Tecchio 80 Fuorigrotta Naples80125 Italy Department of Molecular Medicine and Medical Biotechnology University of Naples Federico II via Pansini 5 Naples80131 Italy Via Pansini 5 Naples80131 Italy

Halide perovskites are crystalline semiconductors with exceptional optoelectronic properties, rapidly developing toward large-scale applications. Lead (II) (Pb2+) is the core element used to prepare halide perovskites. Pb2+ can displace key 2+ elements, including calcium, zinc and iron, that regulate vital physiological functions. Sn2+ can replace Pb2+ within the perovskite structure and, if accidentally dispersed in the environment, it readily oxidizes to Sn4+, which is compatible with physiological functions and thus potentially safe. The 3+ salt bismuth (III) (Bi3+) is also potentially safe for the same reason and useful to prepare double perovskites. Here, this work studies the biotoxicity of Pb, Sn, and Bi perovskites in mice for the first time. This work analyses histopathology and growth of mice directly exposed to perovskites and investigate the development of their offspring generation. This study provides the screening of organs and key physiological functions targeted by perovskite exposure to design specific studies in mammalians. © 2023 The Authors. Advanced materials published by Wiley-VCH GmbH.

关键词： Perovskite

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