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Terahertz chiral photonic-crystal cavities for Dirac gap engineering in graphene

Nature communications 2025年第1期16卷 5270页

作者： Fuyang Tay Stephen Sanders Andrey Baydin Zhigang Song Davis M Welakuh Alessandro Alabastri Vasil Rokaj Ceren B Dag Junichiro Kono Department of Electrical and Computer Engineering Rice University Houston TX USA. fuyang.tay@columbia.edu. Applied Physics Graduate Program Smalley-Curl Institute Rice University Houston TX USA. fuyang.tay@columbia.edu. Department of Electrical and Computer Engineering Rice University Houston TX USA. Smalley-Curl Institute Rice University Houston TX USA. Rice Advanced Materials Institute Rice University Houston TX USA. John A. Paulson School of Engineering and Applied Sciences Harvard University Cambridge MA USA. Max Planck Institute for the Structure and Dynamics of Matter Hamburg Germany. Department of Physics Harvard University Cambridge MA USA. ITAMP Harvard-Smithsonian Center for Astrophysics Cambridge MA USA. Department of Physics Villanova University Villanova PA USA. Department of Physics Indiana University Bloomington IN USA. Department of Electrical and Computer Engineering Rice University Houston TX USA. kono@rice.edu. Smalley-Curl Institute Rice University Houston TX USA. kono@rice.edu. Rice Advanced Materials Institute Rice University Houston TX USA. kono@rice.edu. Department of Physics and Astronomy Rice University Houston TX USA. kono@rice.edu. Department of Materials Science and NanoEngineering Rice University Houston TX USA. kono@rice.edu.

Strong coupling between matter and vacuum electromagnetic fields in a cavity can induce novel quantum phases in thermal equilibrium via symmetry breaking. Particularly intriguing is the coupling with circularly polarized cavity fields, which can break time-reversal symmetry (TRS) and lead to topological bands. This has spurred significant interest in developing chiral cavities that feature broken TRS, especially in the terahertz (THz) frequency range, where various large-oscillator-strength resonances exist. Here, we present a design for high-quality-factor THz chiral photonic-crystal cavities (PCCs) that achieve broken TRS using a magnetoplasma in a lightly doped semiconductor. We incorporate ab initio density functional theory calculations into the derived microscopic model, allowing a realistic estimate of the vacuum-induced gap in graphene when coupled to our chiral cavity. Our calculations show an enhancement in the light-matter interaction due to Dirac nodes and predict an energy gap on the order of 1 meV. The THz chiral PCCs offer a promising platform for exploring cavity-dressed condensed matter with broken TRS.

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Using physical features of protein core packing to distinguish real proteins from decoys

arXiv

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arXiv 2020年

作者： Grigas, Alex T. Mei, Zhe Treado, John D. Levine, Zachary A. Regan, Lynne O'Hern, Corey S. Graduate Program in Computational Biology and Bioinformatics Yale University New HavenCT06520 United States Integrated Graduate Program in Physical and Engineering Biology Yale University New HavenCT06520 United States Department of Chemistry Yale University New HavenCT06520 United States Department of Mechanical Engineering and Materials Science Yale University New HavenCT06520 United States Department of Pathology Yale University New HavenCT06520 United States Department of Molecular Biophysics and Biochemistry Yale University New HavenCT06520 United States Institute of Quantitative Biology Biochemistry and Biotechnology Centre for Synthetic and Systems Biology School of Biological Sciences University of Edinburgh Department of Physics Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States

The ability to consistently distinguish real protein structures from computationally generated model decoys is not yet a solved problem. One route to distinguish real protein structures from decoys is to delineate the important physical features that specify a real protein. For example, it has long been appreciated that the hydrophobic cores of proteins contribute signifficantly to their stability. As a dataset of decoys to compare with real protein structures, we studied submissions to the bi-annual CASP competition (speciffically CASP11, 12, and 13), in which researchers attempt to predict the structure of a protein only knowing its amino acid sequence. Our analysis reveals that many of the submissions possess cores that do not recapitulate the features that define real proteins. In particular, the model structures appear more densely packed (because of energetically unfavorable atomic overlaps), contain too few residues in the core, and have improper distributions of hydrophobic residues throughout the structure. Based on these observations, we developed a deep learning method, which incorporates key physical features of protein cores, to predict how well a computational model recapitulates the real protein structure without knowledge of the structure of the target sequence. By identifying the important features of protein structure, our method is able to rank decoys from the CASP competitions equally well, if not better than, state-of-the-art methods that incorporate many additional features. Copyright © 2020, The Authors. All rights reserved.

关键词： Proteins

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Fabrication and photocatalytic activity of TiO2 composite membranes via simultaneous electrospinning and electrospraying process

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Journal of Environmental sciences 2018年第10期30卷 13-24页

作者： Taddao Pahasup-anan Kowit Suwannahong Wipada Dechapanya Ratthapol Rangkupan International Program in Hazardous Substance and Environmental Management Graduate School Chulalongkorn UniversityBangkok 10330Thailand Center of Excellence on Hazardous Substance Management (HSM) Bangkok 10330 Thailand Department of Public Health Faculty of Public Health Western UniversityKanchanaburi 71170 Thailand Department of Chemical Engineering Faculty of Engineering Ubonratchathani UniversityUbonratchathani 34190 Thailand Metallurgy and Materials Science Research Institute Chulalongkorn University Bangkok 10330 Thailand Nanotec-CU Center of Excellence on Food and Agriculture Chulalongkorn UniversityBangkok 10330 Thailand

In present study, a simultaneous electrospinning and electrospraying（SEE） process was employed to produce microclusters of TiO2 nanoparticles and interlock them in nanofibrous network. The photocatalytic composite membranes（PCMs） were fabricated by electrospraying TiO2 nanoparticle suspension into microcluster form that dispersed and entrapped within nylon-6 electrospun fiber membrane. Three PCMs membrane with TiO2 content of 52.0, 83.6,and 91.7 wt.% were successfully fabricated. The membrane consisted of TiO2 microclusters,ranging in sizes from around 0.3 to 10 μm, distributed uniformly within the nylon-6 nanofibrous network. PCMs photocatalytic activity against Methylene Blue（MB） in aqueous solution showed more than 98% MB removal efficiency after 120 min of photocatalytic oxidation（PCO） for all PCMs. For PCM with the highest TiO2 content tested for 5 PCO cycles, it was found that most of their TiO2 content remained incorporated within the nanofibrous structure. The concept of nanoparticles clusters entrapment with SEE fabrication employed here provide a simple and effective method for reducing detachment of nanostructure phase from nanocomposite membrane.

关键词： Nanocomposites Electrospinning Electrospraying TiO2 Photocatalysis

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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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Co-MOF-67/carbon black composite: A novel electrochemical platform for furazolidone detection for food analysis

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Food chemistry 2025年 489卷 145023页

作者： Arunkumar Selvam Meenakumari Gopakumar Gopika Chih-Yu Kuo Beena Saraswathyamma Kareem Yusuf Mani Govindasamy International Graduate Program in Energy and Optoelectronic Materials (EOMP) National Taipei University of Technology Taipei 10608 Taiwan Department of Chemical Engineering and Biotechnology National Taipei University of Technology Taipei 10608 Taiwan. Department of Chemistry Amrita Vishwa Vidyapeetham Amritapuri campus Clappana P O Kollam Kerala 690525 India Department of Chemistry Korea University Seongbuk-gu Seoul Republic of Korea. Department of Chemical Engineering and Biotechnology National Taipei University of Technology Taipei 10608 Taiwan High-Value Biomaterials Research and Commercialization Center National Taipei University of Technology Taipei 106 Taiwan. Electronic address: chihyukuo@ntut.edu.tw. Department of Chemistry Amrita Vishwa Vidyapeetham Amritapuri campus Clappana P O Kollam Kerala 690525 India. Department of Chemistry College of Science King Saud University Riyadh 11451 Saudi Arabia. International Ph.D. Program in Innovative Technology of Biomedical Engineering and Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan Research Center for Intelligent Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan. Electronic address: manymany2025@mail.mcut.edu.tw.

Furazolidone (FZD), a nitrofuran antibiotic used for the treatment of bacterial and protozoal illnesses, generates apprehensions about its potential toxicity and mutagenicity. The swift and dependable identification of FZD in food and biological specimens is essential for public health and regulatory adherence. This study presents a novel electrochemical sensor using a glassy carbon electrode (GCE) modified with a cobalt-based metal-organic framework (Co-MOF) and carbon black (CB) composite (Co-MOF@CB/GCE) for the sensitive detection of FZD. The Co-MOF@CB composite enhances electron transport and expands the electroactive surface area. Characterization investigations confirmed the successful fabrication of the Co-MOF@CB/GCE sensor. Electrochemical analyses revealed an extensive detection range (0.4-610 μmolL) and a minimal detection limit (0.0875 μmolL). The sensor exhibited great repeatability, stability, and selectivity, demonstrating efficient FZD detection in milk, honey, and chicken. This sensor provides a reliable, economical tool for FZD detection in regulatory and public health contexts.

关键词： Biological analysis Carbon black Cobalt metal-organic framework Electrochemical detection Furazolidone Health care test

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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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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)

引用

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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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

引用

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

引用

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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