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Glycopolymer Microarrays with Sub-Femtomolar Avidity for Glycan Binding Proteins Prepared by Grafted-To/Grafted-From Photopolymerizations

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Angewandte Chemie 2021年第37期133卷

作者： Daniel J. Valles Yerzhan S. Zholdassov Joanna Korpanty Samiha Uddin Yasir Naeem Prof. David R. Mootoo Prof. Nathan C. Gianneschi Prof. Adam B. Braunschweig The PhD program in Chemistry Graduate Center of the City University of New York 365 5th Ave New York NY 10016 USA Advanced Science Research Center at the Graduate Center The City University of New York 85 St. Nicholas Terrace New York NY 10031 USA Department of Chemistry Hunter College 695 Park Ave New York NY 10065 USA Department of Chemistry Northwestern University Evanston IL 60208 USA Department of Materials Science and Engineering Northwestern University Evanston IL 60208 USA Department of Biomedical Engineering Northwestern University Evanston IL 60208 USA The PhD program in Biochemistry Graduate Center of the City University of New York 365 5th Ave New York NY 10016 USA

We report a novel glycan array architecture that binds the mannose-specific glycan binding protein, concanavalin A (ConA), with sub-femtomolar avidity. A new radical photopolymerization developed specifically for this application combines the grafted-from thiol–(meth)acrylate polymerization with thiol–ene chemistry to graft glycans to the growing polymer brushes. The propagation of the brushes was studied by carrying out this grafted-to/grafted-from radical photopolymerization (GTGFRP) at >400 different conditions using hypersurface photolithography, a printing strategy that substantially accelerates reaction discovery and optimization on surfaces. The effect of brush height and the grafting density of mannosides on the binding of ConA to the brushes was studied systematically, and we found that multivalent and cooperative binding account for the unprecedented sensitivity of the GTGFRP brushes. This study further demonstrates the ease with which new chemistry can be tailored for an application as a result of the advantages of hypersurface photolithography.

关键词： glycopolymers lectins lithography microarrays thiol–ene

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Magnetic Nanocoils: Remote Control of Time-Regulated Stretching of Ligand-Presenting Nanocoils In Situ Regulates the Cyclic Adhesion and Differentiation of Stem Cells (Adv. Mater. 11/2021)

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Advanced materials 2021年第11期33卷

作者： Sunhong Min Min Jun Ko Hee Joon Jung Wonsik Kim Seong-Beom Han Yuri Kim Gunhyu Bae Sungkyu Lee Ramar Thangam Hyojun Choi Na Li Jeong Eun Shin Yoo Sang Jeon Hyeon Su Park Yu Jin Kim Uday Kumar Sukumar Jae-Jun Song Seung-Keun Park Seung-Ho Yu Yun Chan Kang Ki-Bum Lee Qiang Wei Dong-Hwee Kim Seung Min Han Ramasamy Paulmurugan Young Keun Kim Heemin Kang Department of Materials Science and Engineering Korea University Seoul 02841 Republic of Korea Department of Materials Science and Engineering Northwestern University Evanston IL 60208 USA International Institute for Nanotechnology Evanston IL USA NUANCE Center Northwestern University Evanston IL USA Department of Materials Science and Engineering Korea Advanced Institute of Science and Technology Daejeon 34141 Republic of Korea KU-KIST Graduate School of Converging Science and Technology Korea University Seoul 02841 Republic of Korea Department of Otorhinolaryngology-Head and Neck Surgery Korea University College of Medicine Seoul 08308 Republic of Korea Department of Radiology Molecular Imaging Program at Stanford Stanford University School of Medicine Stanford University Palo Alto CA 94304 USA Department of Chemical Engineering Kongju National University Cheonan 31080 Republic of Korea Department of Chemical and Biological Engineering Korea University Seoul 02841 Republic of Korea Department of Chemistry and Chemical Biology Rutgers University Piscataway NJ 08854 USA College of Polymer Science and Engineering State Key Laboratory of Polymer Materials and Engineering Sichuan University Chengdu 610065 China Department of Radiology Canary Center at Stanford for Cancer Early Detection Stanford University School of Medicine Stanford University Palo Alto CA 94304 USA Department of Biomicrosystem Technology Korea University Seoul 02841 Republic of Korea

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Copper-Rich Thermoelectric Sulfides: Size-Mismatch Effect and Chemical Disorder in the [TS4]Cu6 Complexes of Cu26T2Ge6S32 (T=Cr, Mo, W) Colusites

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Advanced materials 2019年第43期58卷 15601-15609页

作者： Kumar, Ventrapati Pavan Guélou, Gabin Lemoine, Pierric Raveau, Bernard Supka, Andrew R. Orabi, Rabih Al Rahal Al Fornari, Marco Suekuni, Koichiro Guilmeau, Emmanuel CRISMAT CNRS Normandie Univ ENSICAEN UNICAEN Caen14000 France Univ Rennes CNRS ISCR – UMR 6226 Rennes35000 France Department of Physics and Science of Advanced Materials Program Central Michigan University Mt. PleasantMI48859 United States Department of Applied Science for Electronics and Materials Interdisciplinary Graduate School of Engineering Sciences Kyushu University Kasuga Fukuoka816-8580 Japan Solvay Design and Development of Functional Materials Department Axel’One 87 avenue des Frères Perret Saint Fons Cedex69192 France

Herein, we investigate the Mo andWsubstitution for Cr in synthetic colusite, Cu26Cr2Ge6S32. Primarily, we elucidate the origin of extremely low electrical resistivity which does not compromise the Seebeck coefficient and leads to outstanding power factors of 1.94 mWm−1K−2 at 700 K in Cu26Cr2Ge6S32. We demonstrate that the abnormally long iono-covalent T–S bonds competing with short metallic Cu–T interactions govern the electronic transport properties of the conductive „Cu26S32" framework. We address the key role of the cationic size-mismatch at the core of the mixed tetrahedral–octahedral complex over the transport properties. Two essential effects are identified: 1) only the tetrahedra that are directly bonded to the [TS4]Cu6 complex are significantly distorted upon substitution and 2) the major contribution to the disorder is localized at the central position of the mixed tetrahedral–octahedral complex, and is maximized for x=1, i.e. for the highest cationic sizevariance, σ2. © 2020 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

关键词： Copper compounds

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Cover Feature: Design of a Metal–Organic Framework-Derived Co9S8/S Material for Achieving High Durability and High Performance of Lithium–Sulfur Batteries (ChemElectroChem 16/2021)

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ChemElectroChem 2021年第16期8卷

作者： Arif I. Inamdar Nahid Kaisar Saqib Kamal Tzuoo-Tsair Luo Prof. Dr. Shyankay Jou Prof. Dr. Chih-Wei Chu Prof. Dr. Ming-Hsi Chiang Prof. Dr. Kuang-Lieh Lu Institute of Chemistry Academia Sinica 115 Taipei Taiwan Department of Applied Chemistry National Yang Ming Chiao Tung University 300 Hsinchu Taiwan Sustainable Chemical Science and Technology Taiwan International Graduate Program Institute of Chemistry Academia Sinica 115 Taipei Taiwan Department of Materials Science and Engineering National Taiwan University of Science and Technology 106 Taipei Taiwan Research Center for Applied Sciences Academia Sinica 115 Taipei Taiwan Molecular Science and Technology Taiwan International Graduate Program Institute of Atomic and Molecular Science Academia Sinica 115 Taipei Taiwan Department of Chemistry Fu Jen Catholic University 242 New Taipei City Taiwan Department of Chemistry National Tsing Hua University 300 Hsinchu Taiwan Department of Medicinal and Applied Chemistry Kaohsiung Medical University 807 Kaohsiung Taiwan

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Bridging particle deformability and collective response in soft solids

arXiv

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arXiv 2020年

作者： Treado, John D. Wang, Dong Boromand, Arman Murrell, Michael P. Shattuck, Mark D. O’Hern, Corey S. Department of Mechanical Engineering & Materials Science Yale University New HavenCT06520 United States Integrated Graduate Program in Physical and Engineering Biology Yale University New HavenCT06520 United States Department of Biomedical Engineering Yale University New HavenCT06520 United States Department of Physics Yale University New HavenCT06520 United States Systems Biology Institute Yale University West HavenCT06516 United States Benjamin Levich Institute and Physics Department The City College of New York New YorkNY10031 United States Department of Applied Physics Yale University New HavenCT06520 United States

Soft, amorphous solids such as tissues, foams, and emulsions are composed of deformable particles. However, the effect of single-particle deformability on the collective behavior of soft solids is still poorly understood. We perform numerical simulations of two-dimensional jammed packings of explicitly deformable particles to study the mechanical response of model soft solids. We find that jammed packings of deformable particles with excess shape degrees of freedom possess low-frequency quartic vibrational modes that stabilize the packings even though they possess fewer interparticle contacts than the nominal isostatic value. Adding intra-particle constraints can rigidify the particles, but these particles undergo a buckling transition and gain an effective shape degree of freedom when their preferred perimeter is above a threshold value. We find that the mechanical response of jammed packings of deformable particles with shape degrees of freedom differs significantly from that of jammed packings of rigid-shape particles, which emphasizes the importance of particle deformability in modelling soft solids. © 2020, CC BY.

关键词： Degrees of freedom (mechanics)

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Advances of machine learning in molecular modeling and simulation

arXiv

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arXiv 2019年

作者： Haghighatlari, Mojtaba Hachmann, Johannes Department of Chemical and Biological Engineering University at Buffalo State University of New York BuffaloNY14260 United States Computational and Data-Enabled Science and Engineering Graduate Program University at Buffalo State University of New York BuffaloNY14260 United States New York State Center of Excellence in Materials Informatics BuffaloNY14203 United States

In this review, we highlight recent developments in the application of machine learning for molecular modeling and simulation. After giving a brief overview of the foundations, components, and workflow of a typical supervised learning approach for chemical problems, we showcase areas and state-of-the-art examples of their deployment. In this context, we discuss how machine learning relates to, supports, and augments more traditional physics-based approaches in computational research. We conclude by outlining challenges and future research directions that need to be addressed in order to make machine learning a mainstream chemical engineering tool. Copyright © 2019, The Authors. All rights reserved.

关键词： Machine learning

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Cover Picture: Addressing Environmental Challenges of Porphyrin Mixtures Obtained from Statistical Syntheses (Chemistry - Methods 3/2021)

Chemistry–Methods

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Chemistry–Methods 2021年第3期1卷

作者： Helen Hölzel Maximilian Muth Prof. Dr. Dominik Lungerich Prof. Dr. Norbert Jux Department of Chemistry and Pharmacy & Interdisciplinary Center for Molecular Materials (ICMM) Friedrich-Alexander-University Erlangen-Nuernberg Nikolaus-Fiebiger-Str. 10 91058 Erlangen Germany Center for Nanomedicine Institute for Basic Science (IBS) 50 Yonsei-ro Seodaemun-gu Seoul 03722 South Korea Graduate Program for Nano Biomedical Engineering (NanoBME) Advanced Science Institute Yonsei University 50 Yonsei-ro Seodaemun-gu Seoul 03722 South Korea

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Correction: The structural, vibrational, and mechanical properties of jammed packings of deformable particles in three dimensions

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Soft matter 2022年第19期18卷 3815页

作者： Dong Wang John D Treado Arman Boromand Blake Norwick Michael P Murrell Mark D Shattuck Corey S O'Hern Department of Mechanical Engineering & Materials Science Yale University New Haven Connecticut 06520 USA. corey.ohern@yale.edu. Integrated Graduate Program in Physical and Engineering Biology Yale University New Haven Connecticut 06520 USA. Department of Physics Yale University New Haven Connecticut 06520 USA. Department of Biomedical Engineering Yale University New Haven Connecticut 06520 USA. Systems Biology Institute Yale University West Haven Connecticut 06516 USA. Benjamin Levich Institute and Physics Department The City College of New York New York New York 10031 USA. Department of Applied Physics Yale University New Haven Connecticut 06520 USA.

Correction for 'The structural, vibrational, and mechanical properties of jammed packings of deformable particles in three dimensions' by Dong Wang , , 2021, , 9901-9915, DOI: 10.1039/D1SM01228B.

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Cover Feature: Chemo-Biological Upcycling of Poly(ethylene terephthalate) to Multifunctional Coating materials (ChemSusChem 19/2021)

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ChemSusChem 2021年第19期14卷

作者： Prof. Hee Taek Kim Mi Hee Ryu Ye Jean Jung Sooyoung Lim Hye Min Song Prof. Jeyoung Park Prof. Sung Yeon Hwang Dr. Hoe-Suk Lee Prof. Young Joo Yeon Dr. Bong Hyun Sung Prof. Uwe T. Bornscheuer Prof. Si Jae Park Prof. Jeong Chan Joo Prof. Dongyeop X. Oh Department of Food Science and Technology Chungnam National University Daejeon 34134 (Republic of Korea Research Center for Bio-based Chemicals Korea Research Institute of Chemical Technology Daejeon 34114 & Ulsan 44429 (Republic of Korea Department of Chemical Engineering and Materials Science Graduate Program in System Health Science & Engineering Ewha Womans University Seoul 03760 (Republic of Korea Advanced Materials and Chemical Engineering University of Science and Technology (UST) Daejeon 34113 (Republic of Korea Department of Biochemical Engineering Gangneung-Wonju National University Gangneung-si Gangwon-do 25457 (Republic of Korea Synthetic Biology and Bioengineering Research Center Korea Research Institute of Bioscience and Biotechnology Daejeon 34141 (Republic of Korea Department of Biotechnology & Enzyme Catalysis Institute of Biochemistry University of Greifswald 17487 Greifswald Germany Department of Biotechnology The Catholic University of Korea Bucheon-si Gyeonggi-do 14662 (Republic of Korea

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Model of metabolism and gene expression predicts proteome allocation in Pseudomonas putida

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NPJ systems biology and applications 2025年第1期11卷 55页

作者： Juan D Tibocha-Bonilla Vishant Gandhi Chloe Lieng Oriane Moyne Rodrigo Santibáñez-Palominos Karsten Zengler Bioinformatics and Systems Biology Graduate Program University of California San Diego 9500 Gilman Drive La Jolla CA 92093-0760 USA. Department of Bioengineering University of California San Diego La Jolla CA 92093-0412 USA. Department of Pediatrics University of California San Diego 9500 Gilman Drive La Jolla CA 92093-0760 USA. Department of Bioengineering University of California San Diego La Jolla CA 92093-0412 USA. kzengler@ucsd.edu. Department of Pediatrics University of California San Diego 9500 Gilman Drive La Jolla CA 92093-0760 USA. kzengler@ucsd.edu. Center for Microbiome Innovation University of California San Diego 9500 Gilman Drive La Jolla CA 92093-0403 USA. kzengler@ucsd.edu. Program in Materials Science and Engineering University of California San Diego 9500 Gilman Drive La Jolla CA 92093-0418 USA. kzengler@ucsd.edu.

The genome-scale model of metabolism and gene expression (ME-model) for Pseudomonas putida KT2440, iPpu1676-ME, provides a comprehensive representation of biosynthetic costs and proteome allocation. Compared to a metabolic-only model, iPpu1676-ME significantly expands on gene expression, macromolecular assembly, and cofactor utilization, enabling accurate growth predictions without additional constraints. Multi-omics analysis using RNA sequencing and ribosomal profiling data revealed translational prioritization in P. putida, with core pathways, such as nicotinamide biosynthesis and queuosine metabolism, exhibiting higher translational efficiency, while secondary pathways displayed lower priority. Notably, the ME-model significantly outperformed the M-model in alignment with multi-omics data, thereby validating its predictive capacity. Thus, iPpu1676-ME offers valuable insights into P. putida's proteome allocation and presents a powerful tool for understanding resource allocation in this industrially relevant microorganism.

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