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Thermodynamic model for deoxidation of liquid steel considering strong metal-oxygen interaction in the quasichemical model framework

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International Journal of Minerals,Metallurgy and Materials 2024年第5期31卷 988-1002页

作者： Yong-Min Cho Youn-Bae kang Graduate institute of Ferrous and Eco Materials Technology Pohang University of Science and TechnologyPohangKyungbuk37673Rep.of Korea N.EX.T Hub POSCO HoldingsPohangKyungbuk37673Rep.of Korea Department of Materials Science and Engineering Pohang University of Science and TechnologyPohangKyungbuk37673Rep.of Korea

Herein,a thermodynamic model aimed at describing deoxidation equilibria in liquid steel was *** model provides explicit forms of the activity coefficient of solutes in liquid steel,eliminating the need for the minimization of internal Gibbs energy preliminarily when solving deoxidation *** elimination of internal Gibbs energy minimization is particularly advantageous during the coupling of deoxidation equilibrium calculations with computationally intensive approaches,such as computational fluid *** model enables efficient calculations through direct embedment of the explicit forms of activity coefficient in the computing *** proposed thermodynamic model was developed using a quasichemical approach with two key approximations:random mixing of metallic elements(Fe and oxidizing metal) and strong nonrandom pairing of metal and oxygen as nearest *** these approximations,the quasichemical approach yielded the activity coefficients of solutes as explicit functions of composition and temperature without requiring the minimization of internal Gibbs energy or the coupling of separate *** model was successfully applied in the calculation of deoxidation equilibria of various elements(Al,B,C,Ca,Ce,Cr,La,Mg,Mn,Nb,Si,Ti,V,and Zr).The limitations of the model arising from these assumptions were also discussed.

关键词： deoxidation equilibria thermodynamics quasichemical approach computational fluid dynamics

Development of Machine Learning Methods for Accurate Prediction of Plant Disease Resistance

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Engineering 2024年第9期40卷 100-110页

作者： qi Liu Shi-min Zuo Shasha Peng Hao Zhang Ye Peng Wei Li Yehui Xiong Runmao Lin Zhiming Feng Huihui Li Jun Yang Guo-Liang Wang Houxiang kang State Key Laboratory for Biology of Plant Diseases and Insect Pests Institute of Plant ProtectionChinese Academy of Agricultural SciencesBeijing 100193China Zhongshan Biological Breeding Laboratory&Jiangsu Key Laboratory of Crop Genomics and Molecular Breeding Agricultural College of Yangzhou UniversityYangzhou 225009China Hunan Provincial Key Laboratory of Crop Germplasm Innovation and Utilization and College of Agronomy Hunan Agricultural UniversityChangsha 410128China State Key Laboratory of Crop Gene Resources and Breeding Institute of Crop SciencesChinese Academy of Agricultural SciencesBeijing 100081China College of Plant Protection Hunan Agricultural UniversityChangsha 410128China Key Laboratory of Green Prevention and Control of Tropical Plant Diseases and Pests Ministry of Education College of Plant ProtectionHainan UniversityHaikou 570228China MARA Key Laboratory of Surveillance and Management for Plant Quarantine Pests Department of Plant BiosecurityCollege of Plant ProtectionChina Agricultural UniversityBeijing 100193China Department of Plant Pathology Ohio State UniversityColumbusOH 43210USA

The traditional method of screening plants for disease resistance phenotype is both time-consuming and *** selection offers a potential solution to improve efficiency,but accurately predicting plant disease resistance remains a *** this study,we evaluated eight different machine learning(ML)methods,including random forest classification(RFC),support vector classifier(SVC),light gradient boosting machine(lightGBM),random forest classification plus kinship(RFC_K),support vector classification plus kinship(SVC_K),light gradient boosting machine plus kinship(lightGBM_K),deep neural network genomic prediction(DNNGP),and densely connected convolutional networks(DenseNet),for predicting plant disease *** results demonstrate that the three plus kinship(K)methods developed in this study achieved high prediction ***,these methods achieved accuracies of up to 95%for rice blast(RB),85%for rice black-streaked dwarf virus(RBSDV),and 85%for rice sheath blight(RSB)when trained and applied to the rice diversity panel I(RDPI).Furthermore,the plus K models performed well in predicting wheat blast(WB)and wheat stripe rust(WSR)diseases,with mean accuracies of up to 90%and 93.,*** assess the generalizability of our models,we applied the trained plus K methods to predict RB disease resistance in an independent population,rice diversity panel II(RDPII).Concurrently,we evaluated the RB resistance of RDPII cultivars using spray *** the predictions with the spray inoculation results,we found that the accuracy of the plus K methods reached 91%.These findings highlight the effectiveness of the plus K methods(RFC_K,SVC_K,and lightGBM_K)in accurately predicting plant disease resistance for RB,RBSDV,RSB,WB,and *** methods developed in this study not only provide valuable strategies for predicting disease resistance,but also pave the way for using machine learning to streamline genome-based crop breeding.

关键词： Predicting plant disease resistance Genomic selection Machine learning Genome-wide association study

NiS ultrafine nanorod with translational and rotational symmetry

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National Science Review 2024年第7期11卷 218-225页

作者： Jianxin kang qi Hu Ruixuan Zhang Ang Gao Zhongning Huang Ziming Su Ke Pei qinghua Zhang Li-Min Liu Renchao Che Lin Gu Er-Jia Guo Lin Guo School of Chemistry Beihang University Laboratory of Advanced Materials Shanghai Key Lab of Molecular Catalysis and Innovative Materials Academy for Engineering&Technology Fudan University Zhejiang Laboratory Beijing National Center for Electron Microscopy and Laboratory of Advanced Materials School of Materials Science and Engineering Tsinghua University Beijing National Laboratory for Condensed Matter Physics and institute of Physics Chinese Academy of Sciences School of Physics Beihang University

Anisotropy is a significant and prevalent characteristic of materials, conferring orientation-dependent properties, meaning that the creation of original symmetry enables key functionality that is not found in nature. Even with the advancements in atomic machining, synthesis of separated symmetry in different directions within a single structure remains an extraordinary challenge. Here, we successfully fabricate NiS ultrafine nanorods with separated symmetry along two directions. The atomic structure of the nanorod exhibits rotational symmetry in the radial direction, while its axial direction is characterized by divergent translational symmetry, surpassing the conventional crystalline structures known to date. It does not fit the traditional description of the space group and the point group in three dimensions, so we define it as a new structure in which translational symmetry and rotational symmetry are separated. Further corroborating the atomic symmetric separation in the electronic structure, we observed the combination of stripe and vortex magnetic domains in a single nanorod with different directions, in accordance with the atomic *** manipulation of nanostructure at the atomic level introduces a novel approach to regulate new properties finely, leading to the proposal of new nanotechnology mechanisms.

关键词： separated symmetry NiS anisotropy structure atomic machining magnetic domain

Recent Progress on Water-based Liquid Embolic Agents in Endovascular Treatment

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Chemical research in Chinese Universities 2024年第5期40卷 776-785页

作者： qi Yi FAN Hailong Department of Neurosurgery Faculty of Medicine and Graduate School of MedicineHokkaido UniversitySapporo060-8638Japan institute for Chemical Reaction Design and Discovery(WPI-ICReDD) Hokkaido UniversitySapporo001-0021Japan

Vascular embolization treatment,a minimally invasive surgery for various blood vessel-related conditions,has emerged as a crucial method in treating such as hemorrhage,arteriovenous malformation,aneurysms,and hypervascular *** embolic agents are gaining prominence due to their distinct advantage in infiltrating distal regions,expanding the scope of embolization beyond the reach of solid *** strides in biomaterials and technologies have spurred the development of novel liquid embolic agents,addressing challenges posed by traditional *** mini-review provides a concise overview of the recent progress in water-based liquid embolic agents,highlighting their potential to overcome limitations associated with current embolic *** presenting selected research outcomes,we illuminate advancements that enhance the efficacy of liquid embolic ***,the review outlines essential properties for effective liquid embolic agents,offering insights for future developments in this field.

关键词： Endovascular treatment Lquid embolic agent Hydrogel

Ultrafine ordered L1_(2)-Pt-Co-Mn ternary intermetallic nanoparticles as high-performance oxygen-reduction electrocatalysts for practical fuel cells

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Journal of Energy Chemistry 2024年第6期93卷 157-165,I0005页

作者： Enping Wang Liuxuan Luo Yong Feng Aiming Wu Huiyuan Li Xiashuang Luo Yangge Guo Zehao Tan Fengjuan Zhu Xiaohui Yan qi kang Zechao Zhuang Daihui Yang Shuiyun Shen Junliang Zhang China-UK Low Carbon College Shanghai Jiao Tong UniversityShanghai 201306China institute of Fuel Cells Key Laboratory for Power Machinery and Engineering of MOESchool of Mechanical EngineeringShanghai Jiao Tong UniversityShanghai 200240China Shanghai Tangfeng Energy Technology Co.Ltd. Shanghai 201306China State Key Laboratory of Advanced Chemical Power Sources Guizhou Meiling Power Sources Co.Ltd.Zunyi 563003GuizhouChina School of Chemistry and Chemical Engineering Chongqing UniversityChongqing 400044China institute of New Energy for Vehicles School of Materials Science and EngineeringTongji UniversityShanghai 201804China Department of Chemical Engineering Columbia UniversityNY 10027USA

The long-range periodically ordered atomic structures in intermetallic nanoparticles(INPs)can significantly enhance both the electrocatalytic activity and electrochemical stability toward the oxygen reduction reaction(ORR)compared to the disordered atomic structures in ordinary solid-solution alloy ***,through a facile and scalable synthetic method,a series of carbon-supported ultrafine Pt_3.o_(x)Mn_(1-x)ternary INPs are prepared in this work,which possess the"skin-like"ultrathin Pt shells,the ordered L1_(2) atomic structure,and the high-even dispersion on supports(L1_(2)-Pt_3.o_(x)Mn_(1-x)/~SPt INPs/C).Electrochemical results present that the composition-optimized L1_(2)-Pt_3.o_(0.7)Mn_(0.3./~SPt INPs/C exhibits the highest electrocata lytic activity among the series,which are also much better than those of the pristine ultrafine Pt/***,it also has a greatly enhanced electrochemical *** addition,the effects of annealing temperature and time are further *** importantly,such superior ORR electrocatalytic performance of L1_(2)-Pt_3.o_(0.7)Mn_(0.3./~SPt INPs/C are also well demonstrated in practical fuel *** characterization analyses further reveal the major origins of the greatly enhanced ORR electrocata lytic performance:the Pt-Co-Mn alloy-induced geometric and ligand effects as well as the extremely high L1_(2) atomic-ordering *** work not only successfully develops a highly active and stable ordered ternary intermetallic ORR electrocatalyst,but also elucidates the corresponding"structure-function"relationship,which can be further applied in designing other intermetallic(electro)catalysts.

关键词： Platinum Cobalt Manganese Oxygen reduction reaction Ordered intermetallic L1_(2)atomic structure Proton-exchange membrane fuel cell

Vertical two-dimensional WS_(2)flakes grown on flexible CNT film for excellent electrochemical performance

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Rare Metals 2024年第1期43卷 164-174页

作者： qian Gong Jing-Yun Zou Ming Ren Si-qi Zhu Yu-Rong Zhou Li-Ming Zhao Jian Chen Yu-Long Wu Jiang-Tao Di Li-Xing kang qing-Wen Li School of Nano-Tech and Nano-Bionics University of Science and Technology of ChinaHefei 230026China Key Laboratory of Multifunctional Nanomaterials and Smart Systems Division of Advanced MaterialsSuzhou Institute of Nano-Tech and Nano-BionicsChinese Academy of SciencesSuzhou 215123China Jiangsu Key Laboratory of Micro and Nano Heat Fluid Flow Technology and Energy Application School of Physical Science and TechnologySuzhou University of Science and TechnologySuzhou 215009China

Soft electrochemical actuators that can generate mechanical motions in response to electrical stimuli can be used as artificial muscles in microscale *** electrode materials are the key component of the electrochemical actuator because they limit the ion diffusion and accumulation processes and thus affect the deformation in fast response-time and potential engineering ***-dimensional materials,such as one-dimensional(1D)CNT and two-dimensional(2D)vertically stood WS_(2),are great electrode due to their good electrochemical stability and high surface-to-volume ratios,but show limited performances when being used on their own in the actuators because of low reconstruction or low conductivity.A combination of 1D CNT and 2D WS_(2)could form a heterojunction with both high electrochemical activity and great mechanical ***,by depositing highly disordered graphene nanosheets(HDGNs)on CNT films and then WS_(2)on the formed low-dimensional nanocarbon film,a hybrid WS_(2)/HDGN/CNT film was synthesized through a multistep CVD *** grown WS_(2)nanosheets were achieved by taking advantage of HDGNs which limits CNTs ***,the volume expansion caused by the transition from WO_(3.to WS-2can force the vertical growth of WS_(2).This hybrid film shows excellent electrochemical properties,such as high specific capacitance and high rate *** actuators based on the WS_(2)/HDGN/CNT films show good actuating performance,including stability and reconfigurability.

关键词： CNT Graphene Vertically growth WS_(2) Electrochemical actuators

Tendencies of alloyed engineering in BiOX-based photocatalysts:a state-of-the-art review

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Rare Metals 2024年第4期43卷 1488-1512页

作者： Yan-Dong Sun Chao Zeng Xue Zhang Zi-qi Zhang Bo Yang Sheng-qi Guo Tianjin Key Laboratory of Clean Energy and Pollutant Control School of Energy and Environmental EngineeringHebei University of TechnologyTianjin300401China State-Province Joint Engineering Laboratory of Zeolite Membrane Materials Institute of Advanced MaterialsCollege of Chemistry and Chemical EngineeringJiangxi Normal UniversityNanchang330022China Anhui Province Key Laboratory of Pollutant Sensitive Materials and Environmental Remediation School of Physics and Electronic InformationAnhui Province Industrial Generic Technology Research Center for Alumics MaterialsHuaibei Normal UniversityHuaibei235000China

Energy-saving and environmentally friendly photocatalysis has emerged as a popular research area in response to issues with energy scarcity and environmental *** to the unique layer-like structure,BiOX(Cl,Br,I)is frequently used in ***,inherent flaws in BiOX,such as an inappropriate band gap and low carrier separation efficiency,restrict its capacity for *** to the tunable grouping layer,alloying engineering is employed to optimize the intrinsic properties of BiOX and alloyed BiOX becomes a promising photocatalytic *** review describes the structure of BiOX,where tunable halogen layers provide favorable conditions for the implementation of alloying engineering to improve intrinsic *** article compares the effects and mechanisms of alloying engineering on the optimization of the energy band structure and carrier behavior of BiOX,and lists various modification methods used to improve the optimization of the intrinsic properties by alloying engineering,including defect engineering,morphology control as well as the synergy between alloying and other modification methods(bismuth-rich strategies,cation doping,construction of heterojunctions and plasma resonance effects).Subsequently,applications of alloyed BiOX in energy and environmental fields are summarized,including contaminant degradation,antibacterial,CO_(2)reduction,nitrogen fixation and organic ***,we summarize the current challenges and future directions of alloyed *** is expected that this work will provide guidance and assistance for an in-depth study and understanding of the mechanisms of alloying engineering to optimize intrinsic properties and design alloyed BiOX with higher photocatalytic activity.

关键词： Bismuth oxyhalide Photocatalytic Alloyed engineering Microstructural regulation Application

Establishment of a chicken intestinal organoid culture system to assess deoxynivalenol‑induced damage of the intestinal barrier function

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Journal of Animal Science and Biotechnology 2024年第3期15卷 1119-1130页

作者： Tae Hong kang Sang In Lee Department of Animal Science and Biotechnology Kyungpook National UniversitySangjuGyeong‑Sangbuk‑Do 37224Republic of Korea research institute for Innovative Animal Science Kyungpook National University37224SangjuGyeong‑Sangbuk‑DoRepublic of Korea

Background Deoxynivalenol(DON)is a mycotoxin that has received recognition worldwide because of its ability to cause growth delay,nutrient malabsorption,weight loss,emesis,and a reduction of feed intake in *** DON-contaminated feedstuff is absorbed in the gastrointestinal tract,we used chicken organoids to assess the DON-induced dysfunction of the small *** We established a culture system using chicken organoids and characterized the organoids at passages 1 and *** confirmed the mRNA expression levels of various cell markers in the organoids,such as KI67,leucine-rich repeat containing G protein-coupled receptor 5(Lgr5),mucin 2(MUC2),chromogranin A(CHGA),cytokeratin 19(CK19),lysozyme(LYZ),and microtubule-associated doublecortin-like kinase 1(DCLK1),and compared the results to those of the small *** results showed that the organoids displayed functional similarities in permeability compared to the small *** damaged the tight junctions of the organoids,which resulted in increased *** Our organoid culture displayed topological,genetic,and functional similarities with the small intes-tine *** on these similarities,we confirmed that DON causes small intestine *** organoids offer a practical model for the research of harmful substances.

关键词： Barrier function Deoxynivalenol Organoids

Computed tomography radiomic features and clinical factors predicting the response to first transarterial chemoembolization in intermediate-stage hepatocellular carcinoma

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Hepatobiliary & Pancreatic Diseases International 2024年第4期23卷 361-369页

作者： Zhong-Xing Shi Chang-Fu Li Li-Feng Zhao Zhong-qi Sun Li-Ming Cui Yan-Jie Xin Dong-qing Wang Tan-Rong kang Hui-Jie Jiang Department of Interventional Radiology the Second Affiliated Hospital of Harbin Medical UniversityHarbin 150086China Department of Digestive Medicine Daqing Longnan HospitalDaqing 163453China Department of Radiology Daqing Longnan HospitalDaqing 163453China Department of Radiology the Second Affiliated Hospital of Harbin Medical UniversityHarbin 150086China

Background:According to clinical practice guidelines,transarterial chemoembolization(TACE)is the standard treatment modality for patients with intermediate-stage hepatocellular carcinoma(HCC).Early prediction of treatment response can help patients choose a reasonable treatment *** study aimed to investigate the value of the radiomic-clinical model in predicting the efficacy of the first TACE treatment for HCC to prolong patient ***:A total of 164 patients with HCC who underwent the first TACE from January 2017 to September 2021 were *** tumor response was assessed by modified response evaluation criteria in solid tumors(mRECIST),and the response of the first TACE to each session and its correlation with overall survival were *** radiomic signatures associated with the treatment response were identified by the least absolute shrinkage and selection operator(LASSO),and four machine learning models were built with different types of regions of interest(ROIs)(tumor and corresponding tissues)and the model with the best performance was *** predictive performance was assessed with receiver operating characteristic(ROC)curves and calibration ***:Of all the models,the random forest(RF)model with peritumor(+10 mm)radiomic signatures had the best performance[area under ROC curve(AUC)=0.964 in the training cohort,AUC=0.949 in the validation cohort].The RF model was used to calculate the radiomic score(Rad-score),and the optimal cutoff value(0.3.)was calculated according to the Youden’s *** were then divided into a high-risk group(Rad-score>0.3.)and a low-risk group(Rad-score≤0.3.),and a nomogram model was successfully established to predict treatment *** predicted treatment response also allowed for significant discrimination of Kaplan-Meier *** Cox regression identified six independent prognostic factors for overall survival,including male[hazard ratio(HR)=0.500,95%confidence interva

关键词： Hepatocellular carcinoma Transarterial chemoembolization Radiomics Treatment response Prediction