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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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Identifying irregularity electricity usage of customer behaviors using logistic regression and linear discriminant analysis 3

Identifying irregularity electricity usage of customer behav...

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3rd International Conference on science in Information Technology, ICSITech 2017

作者： Lawi, Armin Wungo, Supriyadi La Manjang, Salama Department of Computer Science Post-graduate Program of Electrical Engineering Dept. Electrical Engineering Universitas Hasanuddin Makassar Indonesia

ISBN: (纸本)9781509058662

This study aims to implement a machine learning technique in identifying the irregularities of customer behavior on the use of prepaid electricity pulses. The methods used are Linear Discriminant Analysis and Logistic Regression. The performance of the classification system will be evaluated using the 10-fold cross-validation technique. Validation results are measured using accuracy, precision and recall values. In this research shows that the use of machine learning technique has a good performance in classification of electrical consumption behavior. Experimental results with the different amount of data testing indicate that Logistic Regression method has high accuracy, precision, and recall value when compared with Linear Discriminant Analysis that is 100%. This is due to Logistic Regression method can predict irregularities accurately because the addition of the amount of data does not affect the performance of the method. © 2017 IEEE.

关键词： Regression analysis

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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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Control of microswimmers by spiral nematic vortices: transition from individual to collective motion and contraction, expansion, and stable circulation of bacterial swirls

arXiv

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arXiv 2020年

作者： Koizumi, Runa Turiv, Taras Genkin, Mikhail M. Lastowski, Robert J. Yu, Hao Chaganava, Irakli Wei, Qi-Huo Aranson, Igor S. Lavrentovich, Oleg D. Advanced Materials and Liquid Crystal Institute Materials Science Graduate Program Kent State University KentOH44242 United States Cold Spring Harbor Laboratory 1 Bungtown Rd Cold Spring HarborNY11724 United States Department of Chemistry University of Scranton ScrantonPA18510 United States Institute of Cybernetics of Georgian Technical University TbilisiGA0186 United States Georgian State Teaching University of Physical Education and Sport TbilisiGA0162 United States Department of Physics Kent State University KentOH44242 United States Department of Biomedical Engineering Pennsylvania State University University ParkPA16802 United States

Active systems comprised of self-propelled units show fascinating transitions from Brownian-like dynamics to collective coherent motion. Swirling of swimming bacteria is a spectacular example. This study demonstrates that a nematic liquid crystal environment patterned as a spiral vortex controls individual-to-collective transition in bacterial swirls and defines whether they expand or shrink. In dilute dispersions, the bacteria swim along open spiral trajectories, following the pre-imposed molecular orientation. The trajectories are nonpolar. As their concentration exceeds some threshold, the bacteria condense into unipolar circular swirls resembling stable limit cycles. This collective circular motion is controlled by the spiral angle that defines the splay-to-bend ratio of the background director. Vortices with dominating splay shrink the swirls towards the center, while vortices with dominating bend expand them to the periphery. 45o spiraling vortices with splay-bend parity produce the most stable swirls. All the dynamic scenarios are explained by hydrodynamic interactions of bacteria mediated by the patterned passive nematic environment and by the coupling between the concentration and orientation. The acquired knowledge of how to control individual and collective motion of microswimmers by a nematic environment can help in the development of microscopic mechanical systems. Copyright © 2020, The Authors. All rights reserved.

关键词： Vortex flow

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Real-time optimization using gradient adaptive selection and classification from infrared sensors measurement for esterification oleic acid with glycerol

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International Journal of Intelligent Computing and Cybernetics 2017年第2期10卷 130-144页

作者： Iwan Aang Soenandi Taufik Djatna Ani Suryani Irzaman Post Graduate Program of Agro-industrial Technology Bogor Agricultural UniversityBogorIndonesia and Faculty of Engineering and Computer ScienceKrida Wacana Christian UniversityJakartaIndonesia Post Graduate Program of Agro-industrial Technology Bogor Agricultural UniversityBogorIndonesia Department of Physics Faculty of Mathematics and Natural SciencesBogor Agricultural UniversityBogorIndonesia

Purpose-The production of glycerol derivatives by the esterification process is subject to many constraints related to the yield of the production target and the lack of process *** accurate monitoring and controlling of the process can improve production yield and *** purpose of this paper is to propose a real-time optimization(RTO)using gradient adaptive selection and classification from infrared sensor measurement to cover various disturbances and uncertainties in the ***/methodology/approach-The integration of the esterification process optimization using self-optimization(SO)was developed with classification process was combined with necessary condition optimum(NCO)as gradient adaptive selection,supported with laboratory scaled medium wavelength infrared(mid-IR)sensors,and measured the proposed optimization system indicator in the batch *** Process Modeling and Notation(BPMN 2.0)was built to describe the tasks of SO workflow in collaboration with NCO as an abstraction for the conceptual ***,Stateflow modeling was deployed to simulate the three states of gradient-based adaptive control combined with support vector machine(SVM)classification and Arduino microcontroller for ***-This new method shows that the real-time optimization responsiveness of control increased product yield up to 13 percent,lower error measurement with percentage error 1.11 percent,reduced the process duration up to 22 minutes,with an effective range of stirrer rotation set between 300 and 400 rpm and final temperature between 200 and 210℃ which was more efficient,as it consumed less *** limitations/implications-In this research the authors just have an experiment for the esterification process using glycerol,but as a development concept of RTO,it would be possible to apply for another chemical reaction or *** implications-This research introduces new development of an RTO approach to optimal con

关键词： Gradient technique Infrared sensor Real-time optimization Simulation and modelling Support vector machine

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Void distributions reveal structural link between jammed packings and protein cores

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Physical Review E 2019年第2期99卷 022416-022416页

作者： John D. Treado Zhe Mei Lynne Regan Corey S. O'Hern Department of Mechanical Engineering & Materials Science Yale University New Haven Connecticut 06520 USA Integrated Graduate Program in Physical & Engineering Biology Yale University New Haven Connecticut 06520 USA Department of Chemistry Yale University New Haven Connecticut 06520 USA Department of Molecular Biophysics & Biochemistry Yale University New Haven Connecticut 06520 USA Department of Physics Yale University New Haven Connecticut 06520 USA Department of Applied Physics Yale University New Haven Connecticut 06520 USA Program in Computational Biology and Bioinformatics Yale University New Haven Connecticut 06520 USA

Dense packing of hydrophobic residues in the cores of globular proteins determines their stability. Recently, we have shown that protein cores possess packing fraction ϕ≈0.56, which is the same as dense, random packing of amino-acid-shaped particles. In this article, we compare the structural properties of protein cores and jammed packings of amino-acid-shaped particles in much greater depth by measuring their local and connected void regions. We find that the distributions of surface Voronoi cell volumes and local porosities obey similar statistics in both systems. We also measure the probability that accessible, connected void regions percolate as a function of the size of a spherical probe particle and show that both systems possess the same critical probe size. We measure the critical exponent τ that characterizes the size distribution of connected void clusters at the onset of percolation. We find that the cluster size statistics are similar for void percolation in packings of amino-acid-shaped particles and randomly placed spheres, but different from that for void percolation in jammed sphere packings. We propose that the connected void regions are a defining structural feature of proteins and can be used to differentiate experimentally observed proteins from decoy structures that are generated using computational protein design software. This work emphasizes that jammed packings of amino-acid-shaped particles can serve as structural and mechanical analogs of protein cores, and could therefore be useful in modeling the response of protein cores to cavity-expanding and -reducing mutations.

关键词： Jamming Protein structure Packing & jamming problems Proteins Crystal structures Finite-size scaling Molecular dynamics Percolation theory

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Liquid-EM goes viral - visualizing structure and dynamics

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Current opinion in structural biology 2022年 75卷 102426页

作者： Deborah F Kelly Liza-Anastasia DiCecco G M Jonaid William J Dearnaley Michael S Spilman Jennifer L Gray Madeline J Dressel-Dukes Department of Biomedical Engineering Pennsylvania State University University Park PA 16802 USA Center for Structural Oncology Pennsylvania State University University Park PA 16802 USA Materials Research Institute Pennsylvania State University University Park PA 16802 USA. Electronic address: Debkelly@psu.edu. Department of Materials Science and Engineering McMaster University Hamilton ON L8S 4L7 Canada. Electronic address: https://***/LizaDiCecco. Bioinformatics and Genomics Graduate Program Huck Institutes of the Life Sciences Pennsylvania State University University Park PA 16802 USA. Materials Research Institute Pennsylvania State University University Park PA 16802 USA. Electronic address: https://***/PennStateMRI. Direct Electron LP San Diego CA 92128 USA. Electronic address: https://***/DirectElectron. Materials Research Institute Pennsylvania State University University Park PA 16802 USA. Protochips Inc. Morrisville NC 27560 USA. Electronic address: https://***/Protochips.

Liquid-electron microscopy (EM), the room temperature correlate to cryo-EM, is an exciting new technique delivering real-time data of dynamic reactions in solution. Here, we explain how liquid-EM gained popularity in recent years by examining key experiments conducted on viral assemblies and host-pathogen interactions. We describe developing workflows for specimen preparation, data collection, and computing processes that led to the first high-resolution virus structures in a liquid environment. Equally important, we review why liquid-electron tomography may become the next big thing in biomedical research due to its ability to monitor live viruses entering cells within seconds. Taken together, we pose the idea that liquid-EM can serve as a dynamic complement to current cryo-EM methods, inspiring the "real-time revolution" in nanoscale imaging.

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Cover Feature: Quantum Mechanical Calculations for Biomass Valorization over Metal-Organic Frameworks (MOFs) (Chem. Asian J. 9/2021)

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Chemistry – An Asian Journal 2021年第9期16卷

作者： Jyun-Yi Yeh Shih-Cheng Li Celine H. Chen Prof. Kevin C.-W. Wu Prof. Yi-Pei Li International Graduate Program of Molecular Science and Technology (NTU-MST) National Taiwan University No. 1 Sec. 4 Roosevelt Road Taipei 10617 Taiwan Taiwan International Graduate Program (TIGP) Academia Sinica No. 128 Sec. 2 Academia Road Taipei 11529 Taiwan Department of Chemical Engineering National Taiwan University No. 1 Sec. 4 Roosevelt Road Taipei 10617 Taiwan School of Engineering Brown University 184 Hope St Providence RI 02912 United States Center of Atomic Initiative for New Materials National Taiwan University No. 1 Sec. 4 Roosevelt Road Taipei 10617 Taiwan

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Tunneling spectroscopy of c-axis epitaxial cuprate junctions

arXiv

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arXiv 2020年

作者： Zhou, Panpan Chen, Liyang Sochnikov, Ilya Wu, Tsz Chun Foster, Matthew S. Bollinger, Anthony T. He, Xi Božović, Ivan Natelson, Douglas Department of Physics and Astronomy Rice University HoustonTX77005 United States Applied Physics Graduate Program Smalley-Curl Institute Rice University HoustonTX77005 United States Department of Physics University of Connecticut StorrsCT06269 United States Brookhaven National Laboratory UptonNY11973-5000 United States Department of Chemistry Yale University New HavenCT06520 United States Department of Electrical and Computer Engineering Rice University HoustonTX77005 United States Department of Materials Science and NanoEngineering Rice University HoustonTX77005 United States

Atomically precise epitaxial structures are unique systems for tunneling spectroscopy that minimize extrinsic effects of disorder. We present a systematic tunneling spectroscopy study, over a broad doping, temperature, and bias range, in epitaxial c-axis La2−xSrxCuO4/La2CuO4/La2−xSrxCuO4 heterostructures. The behavior of these superconductor/insulator/superconductor (SIS) devices is unusual. Down to 20 mK there is complete suppression of c-axis Josephson critical current with a barrier of only 2 nm of La2CuO4, and the zero-bias conductance remains at 20-30% of the normal-state conductance, implying a substantial population of in-gap states. Tunneling spectra show greatly suppressed coherence peaks. As the temperature is raised, the superconducting gap fills in rather than closing at Tc. For all doping levels, the spectra show an inelastic tunneling feature at ∼ 80 meV, suppressed as T exceeds Tc. These nominally simple epitaxial cuprate junctions deviate markedly from expectations based on the standard Bardeen-Cooper-Schrieffer (BCS) theory. Copyright © 2020, The Authors. All rights reserved.

关键词： Copper compounds

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