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Computing grain boundary“phase”diagrams

Interdisciplinary Materials 2023年第1期2卷 137-160页

作者： Jian Luo Department of Nanoengineering Program of Materials Science and EngineeringUniversity of California San DiegoLa JollaCaliforniaUSA

Grain boundaries(GBs)can be treated as two-dimensional(2-D)interfacial phases(also called“complexions”)that can undergo interfacial phase-like *** bulk phase diagrams and calculation of phase diagram(CALPHAD)methods serve as a foundation for modern materials science,we propose to extend them to GBs to have equally significant *** perspective article reviews a series of studies to compute the GB counterparts to bulk phase ***,a phenomenological interfacial thermodynamic model was developed to construct GB lambda diagrams to forecast high-temperature GB disordering and related trends in sintering and other properties for both metallic and ceramic *** parallel,an Ising-type lattice statistical thermodynamic model was utilized to construct GB adsorption(segregation)diagrams,which predicted first-order GB adsorption transitions and critical *** two simplified thermodynamic models emphasize the GB structural(disordering)and chemical(adsorption)aspects,***,hybrid Monte Carlo and molecular dynamics atomistic simulations were used to compute more rigorous and accurate GB“phase”*** GB diagrams of thermodynamic and structural properties were further extended to include mechanical ***,machine learning algorithms were combined with atomistic simulations to predict GB properties as functions of four independent compositional variables and temperature in a 5-D space for a given GB in high-entropy alloys or as functions of five GB macroscopic(crystallographic)degrees of freedom plus temperature and composition for a binary alloy in a 7-D *** relevant studies are also *** perspective and outlook,including two emerging fields of high-entropy grain boundaries(HEGBs)and electrically(or electrochemically)induced GB transitions,are discussed.

关键词： CALPHAD grain boundary interfacial transition phase diagram

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Fine-Tuned Attribute Weighted Naïve Bayes with Modified Partial Instances Reduction for Gaming Disorder Classification

HighTech and Innovation Journal

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HighTech and Innovation Journal 2025年第1期6卷 67-80页

作者： Latubessy, Anastasya Wardoyo, Retantyo Musdholifah, Aina Kusrohmaniah, Sri Doctoral Program Department of Computer Science and Electronics Faculty of Mathematics and Natural Science Universitas Gadjah Mada Yogyakarta55281 Indonesia Department of Informatics Engineering Faculty of Engineering Universitas Muria Kudus Indonesia Department of Computer Science and Electronics Faculty of Mathematics and Natural Science Universitas Gadjah Mada Yogyakarta55281 Indonesia Department of Psychology Faculty of Psychology Universitas Gadjah Mada Yogyakarta55281 Indonesia

Fine Tuning Attribute Weighted Naïve Bayes (FTAWNB) is a reliable modified Naïve Bayes model. Even though it is able to provide high accuracy on ordinal data, this model is sensitive to outliers. To improve the performance of FTAWNB, this research modified the Partial Instances Reduction (PIR) technique to make the FTAWNB more adaptive to outliers. Nevertheless, in contrast to the original PIR technique, which substitutes missing values for data values deemed outliers, the PIR technique suggested in this study replaces data values deemed outliers using a Naïve Bayes weighting approach. The attribute values from the outlier data are replaced with the highest probability values for the attributes in the actual class. This PIR technique is referred to as modified PIR. The FTAWNB model with modified PIR has been evaluated using the Gaming Disorder dataset. Replacing the four attributes with the least amount of information resulted in accuracy gains of 99.74%, an increase of 1.53% over the FTAWNB model. The experimental result shows that adding the modified PIR technique to the FTAWNB model can handle the outlier in the data, proving it by increasing the performance in terms of accuracy, precision, and recall without pruning the dataset used. © 2025, Ital Publication. All rights reserved.

关键词： Attribute Weighted Classification Fine-Tune Gaming Disorder Instances Reduction Naïve Bayes

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Computational-guided discovery of UDP-glycosyltransferases for lauryl glucoside production using engineered ***

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Bioresources and Bioprocessing 2024年第1期11卷 1340-1352页

作者： Kasimaporn Promubon Kritsada Tathiya Aussara Panya Wasu Pathom-Aree Pachara Sattayawat Department of Biology Faculty of ScienceChiang Mai UniversityChiang Mai 50200Thailand Cell Engineering for Cancer Therapy Research Group Faculty of ScienceChiang Mai UniversityChiang Mai 50200Thailand Master of Science Program in Applied Microbiology(International Program) Faculty of ScienceChiang Mai UniversityChiang Mai 50200Thailand

Defining suitable enzymes for reaction steps in novel synthetic pathways is crucial for developing microbial cell factories for non-natural ***,we developed a computational workflow to identify C12 alcohol-active *** workflow involved three steps:(1)assembling initial candidates of putative UDP-glycosyltransferases,(2)refining selection by examining conserved regions,and(3)3D structure prediction and molecular *** sequences from Candida,Pichia,Rhizopus,and Thermotoga,known for lauryl glucoside synthesis via whole-cell biocatalysis,were *** of 240 predicted glycosyltransferases,8 candidates annotated as glycosyltransferases were selected after filtering out those with signal peptides and identifying conserved UDP-glycosyltransferase *** proteins underwent 3D structure prediction and molecular docking with ***3G,a candidate from Rhizopus delemar RA 99-880 with a relatively high ChemPLP fitness score,was selected and expressed in Escherichia coli BL21(DE3).It was further characterized using a feeding experiment with *** confirmed that the RO3G-expressing strain could convert 1-dodecanol to lauryl glucoside,as quantified by HPLC and identified by targeted *** the growth and fermentation profiles of the engineered strain revealed that RO3G expression did not affect cell ***,acetate,a major fermentation product,was reduced in the RO3G-expressing strain compared to the GFP-expressing strain,suggesting a redirection of flux from acetate to other ***,this work presents a successful workflow for discovering UDP-glycosyltransferase enzymes with confirmed activity toward 1-dodecanol for lauryl glucoside production.

关键词： UDP-glycosyltransferase Lauryl glucoside Computational method 1-Dodecanol Engineered E.coli Novel biosynthetic pathway Genome mining

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Oscillatory Hall effect from magnetoelectronic coupling in flexoelectronic silicon

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Physical Review B 2024年第8期109卷 L081113-L081113页

作者： Paul C. Lou Ravindra G. Bhardwaj Anand Katailiha W. P. Beyermann Sandeep Kumar Department of Mechanical Engineering University of California Riverside California 92521 USA Department of Physics and Astronomy University of California Riverside California 92521 USA Materials Science and Engineering Program University of California Riverside California 92521 USA

Magnetoelectronic coupling can be defined as cross-domain coupling between electronic and magnetic properties, where modulation in magnetic properties changes the electronic properties. In this Letter, explicit experimental evidence of magnetoelectronic coupling is presented, which is uncovered from the oscillatory Hall effect response in Hall measurement. The strain gradient in a MgO (1.8 nm)/p-Si (∼400 nm) freestanding sample leads to transfer of electrons (∼5×1018cm−3) from valence to conduction band due to flexoelectronic charge separation in the p-Si layer. The resulting flexoelectronic polarization gives rise to the temporal magnetic moment from dynamical multiferroicity. The external magnetic field changes the net temporal magnetic moment, which causes modulations in charge carrier concentration and oscillatory Hall effect. The period of oscillatory Hall response is 1.12 T, which is attributed to the magnitude of the temporal magnetic moment. The discovery of the oscillatory Hall effect adds another member to the family of Hall effects.

关键词： Hall effect Doped semiconductors Electronically polarized systems Flexoelectrics Multiferroics Hall bar

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Porphyrin-Grafted Poly(ethylene terephthalate) as a Reusable and Highly Selective Colorimetric Probe for Mercuric Ion Contaminants in Aqueous Samples

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ACS Applied Materials and Interfaces 2024年第30期16卷 39195-39205页

作者： Atayde, Eduardo C. Takenaka, Yasumasa Abe, Hideki Wu, Ming-Rou Wu, Kevin C.-W. Molecular Science and Technology Program Taiwan International Graduate Program Academia Sinica Department of Chemistry National Tsing Hua University Department of Chemical Engineering National Taiwan University Bioplastic Research Team RIKEN Center for Sustainable Resource Science Department of Chemical Engineering and Materials Science Yuan Ze University Department of Chemical Engineering Chung Yuan Christian University

Heavy metals are the most hazardous water pollutants, with severe health and environmental consequences. Among these, mercuric (Hg2+) ions are known to cause detrimental health issues in both humans and aquatic life. ... 详细信息

Heavy metals are the most hazardous water pollutants, with severe health and environmental consequences. Among these, mercuric (Hg²⁺) ions are known to cause detrimental health issues in both humans and aquatic life. Due to this, several analytical techniques have been devised to detect and quantify the amount of this ion. However, most of these require advanced instrumentation, prolonged analysis time, and sample preparation. In this study, a low-cost and highly reusable colorimetric probe was developed by grafting porphyrin to poly(ethylene terephthalate) sheets using an oxazoline polymer as covalent adhesive. Upon exposure to trace amounts of Hg²⁺ in solution, the fabricated material visually transitioned from faint brownish pink to green by the complexation mechanism. Additionally, the transparency of this probe allowed the quantitative spectrophotometric determination of the Hg²⁺ concentration in aqueous samples. It was also shown that the material is highly stable, which can be reused for more than 50 times without significant decline in its performance, hence, making it suitable for the onsite monitoring of mercuric ion contamination in different bodies of water. © 2024 The Authors. Published by American Chemical Society.

关键词： colorimetric probe mercuric ion oxazoline PET porphyrin

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Application of a Self-Assembly Sensing Layer to Grating Sensor Cabinets for Biomedical Sensing of Rheumatoid Arthritis Antigen-Antibodies

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IEEE Sensors Journal 2024年第7期24卷 10039-10047页

作者： Wen, Hsin-Yi Hsu, Hsiang-Cheng Feng, Wen-Kai Jhan, Kai-Siang Yeh, Yao-Tsung Chiang, Chia-Chin National Kaohsiung University of Science and Technology Department of Chemical and Materials Engineering Kaohsiung80778 Taiwan National Kaohsiung University of Science and Technology College of Maritime Department of Ph.D. Program in Maritime Science and Technology Kaohsiung807618 Taiwan National Kaohsiung University of Science and Technology Department of Mechanical Engineering Kaohsiung80778 Taiwan Fooyin University Department of Medical Laboratory Science and Biotechnology Kaohsiung83102 Taiwan

In this article, we harnessed biomedical applications in laser-assisted etching long-period fiber gratings (LLPFGs) sensors, subsequently deploying them within the realm of biomedical applications. The primary aim of this study was to devise a sensitive method for the detection of antigen-antibodies associated with rheumatoid arthritis (RA) using LLPFGs. Sensing the antigen binding took place on the surface of the optical fiber through a self-assembling process. Given the inherent limitations of conventional rheumatoid factor (RF) testing in terms of specificity, we introduced an innovative serum-based approach geared toward the identification of anti-cyclic citrullinated peptide (Anti-CCP) antibodies. This method exhibited an impressive diagnostic accuracy rate of approximately 80% for RA cases, coupled with an exceptional specificity level of 98% for individuals without RA. The incorporation of LLPFGs in the detection of RA antigen-antibodies presents a highly promising avenue for enhancing the precision and reliability of RA diagnosis. Furthermore, this research aligns closely with the United Nations Sustainable Development Goal (SDG)3, which strives to promote well-being across all age groups and advance sustainable development by addressing health-related challenges, including the accurate diagnosis of diseases like RA. © 2023 IEEE.

关键词： Antibodies

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Separation of microalgae from bacterial contaminants using spiral microchannel in the presence of a chemoattractant

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Bioresources and Bioprocessing 2024年第1期11卷 511-525页

作者： Leticia F.Ngum Y.Matsushita Samir F.El-Mashtoly Ahmed M.R.Fath El-Bab Ahmed L Abdel-Mawgood Institute of Basic and Applied Sciences Biotechnology ProgramEgypt-Japan University of Science and TechnologyAlexandria 21934Egypt Institute of Basic and Applied Sciences Nanoscience ProgramEgypt-Japan University of Science and TechnologyAlexandria 21934Egypt Mechatronics and Robotics Engineering Department Egypt-Japan University of Science and TechnologyAlexandria 21934Egypt.

Cell separation using microfluidics has become an effective method to isolate biological contaminants from bodily fluids and cell cultures,such as isolating bacteria contaminants from microalgae cultures and isolating bacteria contaminants from white blood *** this study,bacterial cells were used as a model contaminant in microalgae culture in a passive microfluidics device,which relies on hydrodynamic forces to demonstrate the separation of microalgae from bacteria contaminants in U and W-shaped cross-section spiral microchannel fabricated by defocusing CO_(2) laser *** a flow rate of 0.7 ml/min in the presence of glycine as bacteria chemoattractant,the spiral microfluidics devices with U and W-shaped cross-sections were able to isolate microalgae(Desmodesmus sp.)from bacteria(***)with a high separation efficiency of 92%and 96%*** the same flow rate,in the absence of glycine,the separation efficiency of microalgae for U-and W-shaped cross-sections was 91%and 96%,*** was found that the spiral microchannel device with a W-shaped cross-section with a barrier in the center of the channel showed significantly higher separation *** microchannel chips with U-or W-shaped cross-sections were easy to fabricate and exhibited high *** these advantages,these devices could be widely applicable to other cell separation applications,such as separating circulating tumor cells from blood.

关键词： W-shaped cross-section CO_(2)laser ablation Glycine Separation efficiency Removal ratio

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Atmospheric clearing of solid-particle debris using femtosecond filaments

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Physical Review Applied 2024年第1期22卷 014075-014075页

作者： Kyle S. Latty Kyle C. Hartig Nuclear Engineering Program Department of Materials Science and Engineering

Through nonlinear self-focusing, femtosecond pulses can propagate several kilometers beyond diffraction limits, forming an ionization channel in air known as a laser filaments. It has been demonstrated that in the wake of the filament, aerosols can be effectively cleared to improve the transmission of subsequent laser pulses or secondary light sources, pertinent to applications in atmospheric sensing. However, the current understanding of aerosol clearing is founded on interactions with droplets to simulate fogs and clouds and thus does not extend to solid particles or atmospheric debris. Using optical trapping, we isolate both graphite and silica microparticles and directly measure the subsequent displacement caused by the filament using time-resolved shadowgraphy. The shock wave from the filament is demonstrated to propel particles away from the filament, directly contributing to atmospheric debris clearing. Particles exposed to the laser light in either the intense filament core or the surrounding energy reservoir are axially displaced along the beam path. It is found that the optomechanical properties of the particle largely influence the axial displacement induced by laser exposure through mechanisms such as radiation pressure, mass ejection from ablation or optical damage, and particle deagglomeration.

关键词： Atmospheric science Light-matter interaction Microparticles Self-focusing Shock waves & discontinuities in plasma Aerosols Femtosecond laser irradiation Optical tweezers

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A ShuffleNet Architecture-Based Multi-Layer Feature Scaling and Fusion Approach for Underwater Net Cage Damage Detection in Aquaculture

A ShuffleNet Architecture-Based Multi-Layer Feature Scaling ...

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2024 IEEE International Conference on Consumer Electronics-Asia, ICCE-Asia 2024

作者： Huang, Xiang-Rui Chen, Yi-Cheng Chen, Liang-Bi Hu, Wu-Chih National Penghu University of Science and Technology Master Program in Electrical Engineering and Computer Science Department of Electrical Engineering Penghu Taiwan National Penghu University of Science and Technology Department of Computer Science and Information Engineering Penghu Taiwan

ISBN: (纸本)9798331530839

In offshore aquaculture operations, personnel equipped with diving gear are often necessary to inspect the underwater net cages for damage, particularly on the sea floor. This manual inspection process is time-consuming and complex. To overcome this problem, this paper proposes a computer vision solution for identifying damage in underwater net cages to address the inefficiencies and challenges of traditional manual inspections. The proposed scheme utilizes a high-performance multi-branch computational architecture designed based on ShuffleNet architecture to detect net cage damage more efficiently. Experimental results demonstrate that this work performs well on the ImageNet ILSVRC-2010 dataset and achieves an accuracy of 88.54% in underwater net damage detection. © 2024 IEEE.

关键词： Aquaculture

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Variable Length Multi-Objective Whale Optimization for Trust Aware Data Gathering in Wireless Sensor Network

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IEEE Access 2025年 13卷 32100-32121页

作者： Saad, Mohammed Ayad Jaafar, Rosmina Chellappan, Kalaivani Faculty of Engineering and Built Environment Department of Electrical Electronics and System Engineering Selangor Bangi43600 Malaysia Al-Kitab University Department of Medical Instrumentations Technique Engineering Kirkuk36001 Iraq Universitas Airlangga Biomedical Engineering Study Program Faculty of Science and Technology Surabaya60115 Indonesia

Efficient data collection in wireless sensor networks (WSNs) is crucial. While traditional approaches rely on stationary data sinks, the use of mobile sinks, like unmanned aerial vehicles (UAVs), has shown promise in enhancing data-gathering capabilities. However, existing methods often overlook the importance of trust, leaving the network susceptible to malicious or faulty nodes. To address this issue, we propose a novel trust-aware data-gathering algorithm, Variable Length Multi-Objective Whale Optimization Data Gathering (VLMOWO-DG). Our algorithm simultaneously optimizes energy consumption, delay, and trust while employing mobile sinks to collect data from sensor nodes. By considering trust as a key performance metric, we improve data reliability and security. The VLMOWO-DG algorithm introduces flexibility through variable-length solution representation and application-oriented operators, allowing for efficient exploration of the solution space. Simulation results demonstrate that our proposed algorithm significantly outperforms established benchmarks, NSGA-II and NSGA-III, in terms of domination and hypervolume. This leads to a remarkable improvement of 200% in data gathering performance. © 2015 The Authors.

关键词： Data collection

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