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Alternative Role of Motif B in Template Dependent Polymerase Inhibition

Chinese Journal of Chemical Physics 2022年第3期35卷 407-412,I0001页

作者： Xueying Luo Tiantian Xu Xin Gao Lu Zhang State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China University of Chinese Academy of Sciences Beijing 100049China Computer Science Program ComputerElectrical and Mathematical Sciences and Engineering(CEMSE)DivisionKing Abdullah University of Science and TechnologyThuwal 23955-6900King-dom of Saudi Arabia KAUST Computational Bioscience Research Center(CBRC) King Abdullah University of Science and TechnologyThuwal 23955-6900Kingdom of Saudi Arabia Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry Xiamen 361005China

Severe acute respiratory syndrome coronavirus 2(SARS-Co V-2) relies on the central molecular machine RNA-dependent RNA polymerase(Rd Rp) for the viral replication and transcription. Remdesivir at the template strand has been shown to effectively inhibit the RNA synthesis in SARS-Co V-2 Rd Rp by deactivating not only the complementary UTP incorporation but also the next nucleotide addition. However, the underlying molecular mechanism of the second inhibitory point remains unclear. In this work, we have performed molecular dynamics simulations and demonstrated that such inhibition has not directly acted on the nucleotide addition at the active site. Instead, the translocation of Remdesivir from +1 to-1 site is hindered thermodynamically as the posttranslocation state is less stable than the pre-translocation state due to the motif B residue G683. Moreover, another conserved residue S682 on motif B further hinders the dynamic translocation of Remdesivir due to the steric clash with the 1′-cyano substitution. Overall,our study has unveiled an alternative role of motif B in mediating the translocation when Remdesivir is present in the template strand and complemented our understanding about the inhibitory mechanisms exerted by Remdesivir on the RNA synthesis in SARS-Co V-2 Rd Rp.

关键词： SARS-CoV-2 RNA-dependent RNA polymerase Inhibitory mechanism Nu-cleotide analog Molecular dynamics simulation

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Direct Visualization of a Disorder Driven Electronic Smectic Phase in Dirac Nodal Line Semimetal GdSbTe

arXiv

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arXiv 2024年

作者： Venkatesan, Balaji Guan, Syu-You Chang, Jen-Te Chiu, Shiang-Bin Yang, Po-Yuan Su, Chih-Chuan Chang, Tay-Rong Raju, Kalaivanan Sankar, Raman Fongchaiya, Somboon Chu, Ming-Wen Chang, Chia-Seng Chang, Guoqing Lin, Hsin Del Maestro, Adrian Kao, Ying-Jer Chuang, Tien-Ming Department of Physics National Taiwan University Taipei10617 Taiwan Nano Science and Technology Program Taiwan International Graduate Program Academia Sinica National Taiwan University Taipei11529 Taiwan Institute of Physics Academia Sinica Taipei11529 Taiwan Department of Physics National Cheng-Kung University Tainan701 Taiwan Center for Condensed Matter Sciences National Taiwan University Taipei10617 Taiwan Molecular Science and Technology Program Taiwan International Graduate Program Academia Sinica Taipei11529 Taiwan Division of Physics and Applied Physics School of Physical and Mathematical Sciences Nanyang Technological University 21 Nanyang Link 637371 Singapore Department of Physics and Astronomy University of Tennessee KnoxvilleTN37996 United States Institute for Advanced Materials & Manufacturing University of Tennessee KnoxvilleTN37996 United States Min H. Kao Department of Electrical Engineering and Computer Science University of Tennessee KnoxvilleTN37996 United States Center for Quantum Science and Technology National Taiwan University Taipei10607 Taiwan

Electronic liquid crystal (ELC) phases are spontaneous symmetry breaking states believed to arise from strong electron correlation in quantum materials such as cuprates and iron pnictides. Here, we report a direct observation of a smectic phase in a weakly correlated Dirac nodal line (DNL) semimetal GdSbxTe2-x. Incommensurate smectic charge modulation and intense local unidirectional nanostructure are visualized by using spectroscopic imaging - scanning tunneling microscopy. As topological materials with symmetry protected Dirac or Weyl fermions are mostly weakly correlated, the discovery of such an ELC phase are anomalous and raise questions on the origin of their emergence. Specifically, we demonstrate how chemical substitution generates these symmetry breaking phases before the system undergoes a charge density wave (CDW) - orthorhombic structural transition. Our results highlight the importance of impurities in realizing ELC phases and present a new material platform for exploring the interplay among quenched disorder, topology and electron correlation. Copyright © 2024, The Authors. All rights reserved.

关键词： Charge density waves

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Multifunctional Magnetic Oxide-MoS2 Heterostructures on Silicon

arXiv

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arXiv 2023年

作者： Yang, Allen Jian Wu, Liang Liu, Yanran Zhang, Xinyu Han, Kun Huang, Ying Li, Shengyao Loh, Xian Jun Zhu, Qiang Su, Rui Nan, Ce-Wen Wang, Xiao Renshaw Division of Physics and Applied Physics School of Physical and Mathematical Sciences Nanyang Technological University 637371 Singapore Faculty of Material Science and Engineering Kunming University of Science and Technology Yunnan Kunming650093 China Information Materials and Intelligent Sensing Laboratory of Anhui Province Institutes of Physical Science and Information Technology Anhui University Hefei230601 China State Key Laboratory of Environment-friendly Energy Materials Southwest University of Science and Technology Mianyang621010 China A*STAR Innovis 2 Fusionopolis Way 138634 Singapore School of Chemistry Chemical Engineering and Biotechnology Nanyang Technological University 21 Nanyang Link 637371 Singapore School of Electrical and Electronic Engineering Nanyang Technological University 637371 Singapore MajuLab International Joint Research Unit UMI 3654 CNRS Université Côte d’Azur Sorbonne Université National University of Singapore Nanyang Technological University 637371 Singapore State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and Engineering Tsinghua University Beijing100084 China

Correlated oxides and related heterostructures are intriguing for developing future multifunctional devices by exploiting their exotic properties, but their integration with other materials, especially on Si-based platforms, is challenging. Here we demonstrate van der Waals heterostructures of La0.7Sr0.3MnO3 (LSMO), a correlated manganite perovskite, and MoS2 on Si substrates with multiple functions. To overcome the problems due to the incompatible growth process, technologies involving freestanding LSMO membranes and van der Waals force-mediated transfer were used to fabricate the LSMO-MoS2 heterostructures. The LSMO-MoS2 heterostructures exhibit a gate-tunable rectifying behaviour, based on which metal-semiconductor field-effect transistors (MESFETs) with on-off ratios of over 104 can be achieved. The LSMO-MoS2 heterostructures can function as photodiodes displaying considerable open-circuit voltages and photocurrents. In addition, the colossal magnetoresistance of LSMO endows the LSMO-MoS2 heterostructures with an electrically tunable magnetoresponse at room temperature. Our work not only proves the applicability of the LSMO-MoS2 heterostructure devices on Si-based platform but also demonstrates a paradigm to create multifunctional heterostructures from materials with disparate properties. © 2023, CC BY-NC-SA.

关键词： Heterojunctions

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High-speed colour-converting photodetector with all-inorganic CsPbBr_(3) perovskite nanocrystals for ultraviolet light communication

引用

Light(science & Applications) 2019年第1期8卷 306-317页

作者： Chun Hong Kang Ibrahim Dursun Guangyu Liu Lutfan Sinatra Xiaobin Sun Meiwei Kong Jun Pan Partha Maity Ee-Ning Ooi Tien Khee Ng Omar F.Mohammed Osman M.Bakr Boon S.Ooi Photonics Laboratory Division of ComputerElectricaland Mathematical Sciences and EngineeringKing Abdullah University of Science and Technology(KAUST)Thuwal 23955-6900Kingdom of Saudi Arabia Division of Physical Science and Engineering King Abdullah University of Science and Technology(KAUST)Thuwal 23955-6900Kingdom of Saudi Arabia Quantum Solutions LLC Thuwal 23955-6900Kingdom of Saudi Arabia

Optical wireless communication(OWC)using the ultra-broad spectrum of the visible-to-ultraviolet(UV)wavelength region remains a vital field of research for mitigating the saturated bandwidth of radio-frequency(RF)***,the lack of an efficient UV photodetection methodology hinders the development of UV-based *** key technological impediment is related to the low UV-photon absorption in existing silicon photodetectors,which offer low-cost and mature *** address this technology gap,we report a hybrid Sibased photodetection scheme by incorporating CsPbBr_(3) perovskite nanocrystals(NCs)with a high photoluminescence quantum yield(PLQY)and a fast photoluminescence(PL)decay time as a UV-to-visible colourconverting layer for high-speed solar-blind UV *** facile formation of drop-cast CsPbBr_(3) perovskite NCs leads to a high PLQY of up to ~73% and strong absorption in the UV *** the addition of the NC layer,a nearly threefold improvement in the responsivity and an increase of ~25% in the external quantum efficiency(EQE)of the solar-blind region compared to a commercial silicon-based photodetector were ***,timeresolved photoluminescence measurements demonstrated a decay time of 4.5 ns under a 372-nm UV excitation source,thus elucidating the potential of this layer as a fast colour-converting layer.A high data rate of up to 34 Mbps in solar-blind communication was achieved using the hybrid CsPbBr_(3)-silicon photodetection scheme in conjunction with a 278-nm UVC light-emitting diode(LED).These findings demonstrate the feasibility of an integrated high-speed photoreceiver design of a composition-tuneable perovskite-based phosphor and a low-cost silicon-based photodetector for UV communication.

关键词： perovskite ultraviolet inorganic

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Defect engineering approaches for metal oxide semiconductor-based chemiresistive gas sensing

引用

Coordination Chemistry Reviews 2025年 541卷

作者： Kumar, Amit Mazumder, Julaiba Tahsina Joyen, Kenza Favier, Frédéric Mirzaei, Ali Kim, Jin-Young Kwoka, Monika Bechelany, Mikhael Jha, Ravindra Kumar Kumar, Mahesh Kim, Hyoun Woo Kim, Sang Sub Department of Electrical Engineering Indian Institute of Technology Jodhpur Jodhpur 342030 India Department of Electronics Assam Skill University Assam Mangaldai 784125 India European Institut of Membranes (IEM) – UMR 5635 University of Montpellier ENSCM CNRS Montpellier 34090 France Institut Charles Gerhardt Montpellier (ICGM) – UMR 5253 University of Montpellier ENSCM CNRS Montpellier 34090 France Department of Materials Science and Engineering Shiraz University of Technology Shiraz 715557-13876 Iran Customized manufacturing R&D department Korea Institute of Industrial Technology Gyeonggi-do 15014 South Korea Department of Cybernetics Nanotechnology and Data Processing Faculty of Automatic Control Electronics and Computer Science Silesian University of Technology Akademicka 16 Gliwice 44-100 Poland Functional Materials Group Gulf University for Science and Technology (GUST) Mubarak Al-Abdullah 32093 Kuwait Department of Electronics and Electrical Engineering & Centre for Intelligent Cyber-Physical Systems Indian Institute of Technology Guwahati Guwahati 781039 India Division of Materials Science and Engineering Hanyang University Seoul 04763 South Korea Department of Materials Science and Engineering Inha University Incheon 22212 South Korea

Defect engineering in metal oxides presents a promising approach for tailoring material properties. This strategy enhances gas sorption, catalysis, and control over key physical characteristics such as bandgap, magnetic behavior, and electrical conductivity. Despite its potential, the role of defect engineering in advancing metal oxide semiconductor (MOS) gas-sensing performance remains underexplored. This review introduces defect engineering strategies, emphasizing their applications in gas sensing. Gas sensors play a vital role in environmental monitoring, industrial safety, healthcare, and in improving energy efficiency. The demand for advanced gas sensors has never been more critical, given the need for real-time, accurate, and cost-effective detection of pollutant gases. MOS-based gas sensors are widely used in air quality monitoring, industrial safety, and health diagnostics. Vacancies and defect architectures in MOS have been widely studied for their role in sensing performance, as they fundamentally influence sensor efficiency. The effectiveness of MOS sensors largely depends on the type and concentration of defects. This review introduces vacancies and defects in MOS, followed by an in-depth discussion of defect types, factors influencing defect formation, and their role in charge transport. Additionally, it examines the correlation between elemental chemical properties and defect chemistry. Special attention is given to the defect chemistry of metal oxides, including TiO₂, ZnO, Co₃O₄, ZrO₂, WO₃, and CeO₂. It concludes with an examination of surface engineering methods for defect control to improve gas-sensing capabilities. © 2024

关键词： Chemiresistive gas sensing Defect engineering Metal-oxide semiconductor

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Socially acceptable route planning and trajectory behavior analysis of personal mobility device for mobility management with improved sensing

arXiv

引用

arXiv 2021年

作者： Mishra, Sumit Rajendran, Praveen Kumar Har, Dongsoo The Robotics Program Department of Electrical Engineering Korea Advanced Institute of Science and Technology Daejeon Korea Republic of Division of Future Vehicle Department of Electrical Engineering Korea Advanced Institute of Science and Technology Daejeon Korea Republic of The CCS Graduate School of Green Transportation Korea Advanced Institute of Science and Technology Daejeon Korea Republic of

In urban cities, with increasing acceptability of shared spaces used by pedestrians and personal mobility devices (PMDs), there is need for pragmatic socially acceptable path planning and navigation management policies. Hence, we propose a socially acceptable global route planner and assess the legibility of the resulting global route. Our approach proposed for choosing global route avoids streets penetrating shared spaces and main routes with high probability of dense usage. The experimental study shows that socially acceptable routes can be effectively found with an average of 10 % increment of route length with optimal hyperparameters. This helps PMDs to reach the goal while taking a socially acceptable and safe route with minimal interaction of different PMDs and pedestrians. When PMDs interact with pedestrians and other types of PMDs in shared spaces, micro-mobility simulations are of prime usage for acceptable and safe navigation policy. Social force models being state of the art for pedestrian simulation are calibrated for capturing random movements of pedestrian behavior. Social force model with calibration can imitate the required behavior of PMDs in a pedestrian mix navigation scheme. Based on calibrated models, simulations on shared space links and gate structures are performed to assist policies related to deciding waiting and stopping time. Also, based on simulated PMDs interaction with pedestrians, location data with finer resolution can be obtained if the resolution of GPS sensor is 0.2 m or less. This will help in formalizing better modelling and hence better micro-mobility policies. Copyright © 2021, The Authors. All rights reserved.

关键词： Navigation

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QuYBE - An Algebraic Compiler for Quantum Circuit Compression

arXiv

引用

arXiv 2022年

作者： Gulania, Sahil He, Zichang Peng, Bo Govind, Niranjan Alexeev, Yuri Mathematics and Computer Science Division Argonne National Laboratory LemontIL60439 United States Physical and Computational Sciences Directorate Pacific Northwest National Laboratory RichlandWA99352 United States Department of Electrical and Computer Engineering University of California Santa BarbaraCA93106 United States Computational Science Division Argonne National Laboratory LemontIL60439 United States

QuYBE is an open-source algebraic compiler for the compression of quantum circuits. It has been applied for the efficient simulation of the Heisenberg Hamiltonian on quantum computers. Currently, it can simulate the time dynamics of one-dimensional chains. It includes modules to generate the quantum circuits for the above as well as produce the compressed circuits, which are independent of the time step. It utilizes the Yang-Baxter equation (YBE) to perform the compression. QuYBE enables users to seamlessly design, execute, and analyze the time dynamics of the Heisenberg Hamiltonian on quantum computers. QuYBE is the first step toward making the YBE technique available to a broader community of scientists from multiple domains. The QuYBE compiler is available at https://***/ZichangHe/QuYBE. © 2022, CC BY.

关键词： Hamiltonians

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Polarization-encoded quantum key distribution with a room-temperature telecom single-photon emitter

arXiv

引用

arXiv 2024年

作者： Xingjian, Zhang Haoran, Zhang Chua, Rui Ming Eng, John Meunier, Max Grieve, James A. Weibo, Gao Ling, Alexander Centre for Quantum Technologies National University of Singapore 3 Science Drive 2 Singapore117543 Singapore Division of Physics and Applied Physics School of Physical and Mathematical Sciences Nanyang Technological University Singapore637371 Singapore Quantum Research Center Technology Innovation Institute Masdar City Abu Dhabi United Arab Emirates School of Electrical and Electronic Engineering Nanyang Technological University Singapore637371 Singapore Department of Physics National University of Singapore Singapore119077 Singapore

Single photon sources (SPSs) are directly applicable in quantum key distribution (QKD) because they allow the implementation of the canonical BB84 protocol. To date, QKD implementations using SPS are not widespread because of the need for cryogenic operation, or frequency conversion to a wavelength efficiently transmitted over telecommunication fibers. We report an observation of polarization-encoded QKD using a room-temperature telecom SPS based on a GaN defect. A field test over 3.5 km of deployed fiber with 4.0 dB loss yielded a secure key rate of 585.9 bps. Further testing in a 32.5 km fiber spool (attenuation of 11.2 dB), which exhibited substantially lower polarization mode dispersion, yielded a secure key rate of 50.4 bps. Both results exhibited a quantum bit error rate (QBER) of approximately 5%. These results illustrate the potential of the GaN defects for supporting polarization-encoded quantum communication. Copyright © 2024, The Authors. All rights reserved.

关键词： Quantum communication

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Steering post-C-C coupling selectivity enables high efficiency electroreduction of carbon dioxide to multi-carbon alcohols (vol 1, pg 421, 2018)

引用

NATURE CATALYSIS 2022年第6期5卷 578-579页

作者： Zhuang, Tao-Tao Liang, Zhi-Qin Seifitokaldani, Ali Li, Yi De Luna, Phil Burdyny, Thomas Che, Fanglin Meng, Fei Min, Yimeng Quintero-Bermudez, Rafael Dinh, Cao Thang Pang, Yuanjie Zhong, Miao Zhang, Bo Li, Jun Chen, Pei-Ning Zheng, Xue-Li Liang, Hongyan Ge, Wen-Na Ye, Bang-Jiao Sinton, David Yu, Shu-Hong Sargent, Edward H. Department of Electrical and Computer Engineering University of Toronto Toronto Ontario Canada Division of Nanomaterials & Chemistry Hefei National Laboratory for Physical Sciences at Microscale Collaborative Innovation Center of Suzhou Nano Science and Technology CAS Center for Excellence in Nanoscience Department of Chemistry University of Science and Technology of China Hefei Anhui China State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular Science Fudan University Shanghai China Department of Materials Science and Engineering University of Toronto Toronto Ontario Canada Department of Mechanical and Industrial Engineering University of Toronto Toronto Ontario Canada State Key Laboratory of Particle Detection and Electronics University of Science and Technology of China Hefei Anhui China

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Observation of Dirac Hierarchy in Three-Dimensional Acoustic Topological Insulators

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physical Review Letters 2022年第12期129卷 125502-125502页

作者： Linyun Yang Yin Wang Yan Meng Zhenxiao Zhu Xiang Xi Bei Yan Shuxin Lin Jingming Chen Bin-jie Shi Yong Ge Shou-qi Yuan Hongsheng Chen Hong-xiang Sun Gui-Geng Liu Yihao Yang Zhen Gao Department of Electrical and Electronic Engineering Southern University of Science and Technology Shenzhen 518055 China Research Center of Fluid Machinery Engineering and Technology School of Physics and Electronics Engineering Jiangsu University Zhenjiang 212013 China Interdisciplinary Center for Quantum Information State Key Laboratory of Modern Optical Instrumentation College of Information Science and Electronic Engineering Zhejiang University Hangzhou 310027 China ZJU-Hangzhou Global Science and Technology Innovation Center Key Laboratory of Advanced Micro/Nano Electronic Devices and Smart Systems of Zhejiang ZJU-UIUC Institute Zhejiang University Hangzhou 310027 China State Key Laboratory of Acoustics Institute of Acoustics Chinese Academy of Sciences Beijing 100190 China Division of Physics and Applied Physics School of Physical and Mathematical Sciences Nanyang Technological University 21 Nanyang Link Singapore 637371 Singapore

Dirac cones (DCs) play a pivotal role in various unique phenomena ranging from massless electrons in graphene to robust surface states in topological insulators (TIs). Recent studies have theoretically revealed a full Dirac hierarchy comprising an eightfold bulk DC, a fourfold surface DC, and a twofold hinge DC, associated with a hierarchy of topological phases including first-order to third-order three-dimensional (3D) topological insulators, using the same 3D base lattice. Here, we report the first experimental observation of the Dirac hierarchy in 3D acoustic TIs. Using acoustic measurements, we unambiguously reveal that lifting of multifold DCs in each hierarchy can induce two-dimensional topological surface states with a fourfold DC in a first-order 3D TI, one-dimensional topological hinge states with a twofold DC in a second-order 3D TI, and zero-dimensional topological corner states in a third-order 3D TI. Our Letter not only expands the fundamental research scope of Dirac physics, but also opens up a new route for multidimensional robust wave manipulation.

关键词： Topological insulators Acoustic metamaterials

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