检索结果-南通市图书馆

Recent advances and applications of deep learning methods in materials science

npj Computational Materials 2022年第1期8卷 548-573页

作者： Kamal Choudhary Brian DeCost Chi Chen Anubhav jain Francesca Tavazza Ryan Cohn Cheol Woo Park Alok Choudhary Ankit Agrawal simon j.l.billinge Elizabeth Holm Shyue Ping Ong Chris Wolverton Materials Science and Engineering Division National Institute of Standards and TechnologyGaithersburgMD20899USA Theiss Research La JollaCA92037USA DeepMaterials llC Silver SpringMD20906USA Material Measurement Science Division National Institute of Standards and TechnologyGaithersburgMD20899USA Department of NanoEngineering University of California San DiegoSan DiegoCA92093USA Energy Technologies Area Lawrence Berkeley National LaboratoryBerkeleyCAUSA Department of Materials Science and Engineering Carnegie Mellon UniversityPittsburghPA15213USA Department of Materials Science and Engineering Northwestern UniversityEvanstonIL60208USA Department of Electrical and Computer Engineering Northwestern UniversityEvanstonIL60208USA Department of Applied Physics and Applied Mathematics and the Data Science Institute Fu Foundation School of Engineering and Applied SciencesColumbia UniversityNew YorkNY10027USA

Deep learning(Dl)is one of the fastest-growing topics in materials data science,with rapidly emerging applications spanning atomistic,image-based,spectral,and textual data *** allows analysis of unstructured data and automated identification of *** recent development of large materials databases has fueled the application of Dl methods in atomistic prediction in *** contrast,advances in image and spectral data have largely leveraged synthetic data enabled by high-quality forward models as well as by generative unsupervised Dl *** this article,we present a high-level overview of deep learning methods followed by a detailed discussion of recent developments of deep learning in atomistic simulation,materials imaging,spectral analysis,and natural language *** each modality we discuss applications involving both theoretical and experimental data,typical modeling approaches with their strengths and limitations,and relevant publicly available software and *** conclude the review with a discussion of recent cross-cutting work related to uncertainty quantification in this field and a brief perspective on limitations,challenges,and potential growth areas for Dl methods in materials science.

关键词： learning limitations textual

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Extracting structural motifs from pair distribution function data of nanostructures using explainable machine learning

引用

npj Computational Materials 2022年第1期8卷 2053-2063页

作者： Andy S.Anker Emil T.S.Kjær Mikkel juelsholt Troels lindahl Christiansen Susanne linn Skjærvø Mads Ry Vogel jørgensen Innokenty Kantor Daniel Risskov Sørensen simon j.l.billinge Raghavendra Selvan Kirsten M.Ø.jensen Department of Chemistry and Nano-Science Center University of Copenhagen2100CopenhagenDenmark Department of Materials University of OxfordParks RoadOxfordUK Department of Chemistry&iNANO Aarhus University8000AarhusDenmark MAX IV laboratory Lund University22484LundSweden Department of Physics Technical University of Denmark2880LyngbyDenmark Department of Applied Physics and Applied Mathematics Columbia UniversityNew YorkNY10027USA Condensed Matter Physics and Materials Science Department Brookhaven National LaboratoryUptonNY11973USA Department of Computer Science University of Copenhagen2100CopenhagenDenmark Department of Neuroscience University of Copenhagen2200CopenhagenDenmark

Characterization of material structure with X-ray or neutron scattering using *** Distribution Function(PDF)analysis most often rely on refining a structure model against an experimental ***,identifying a suitable model is often a ***,automated approaches have made it possible to test thousands of models for each dataset,but these methods are computationally expensive and analysing the output,*** structural information from the resulting fits in a meaningful way,is *** Machine learning based Motif Extractor(Ml-MotEx)trains an Ml algorithm on thousands of fits,and uses SHAP(SHapley Additive exPlanation)values to identify which model features are important for the fit *** use the method for 4 different chemical systems,including disordered nanomaterials and ***-MotEx opens for a type of modelling where each feature in a model is assigned an importance value for the fit quality based on explainable Ml.

关键词： explain structural meaningful

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Extravascular use of drug-eluting beads: A promising approach in compartment-based tumor therapy

引用

World journal of Gastroenterology 2013年第43期19卷 7586-7593页

作者： simon Binder Andrew l lewis j-Matthias lhr Michael Keese Faculty of Medicine Mannheim University of Heidelberg68167 MannheimGermany Biocompatibles UK ltd. Department for Research and DevelopmentFarnham GU98QL SurreyUnited Kingdom Karolinska Institute Department of Clinical ScienceIntervention and Technology17177 StockholmSweden Clinic for Vascular and Endovascular Surgery University Hospital Frankfurt60590 Frankfurt am MainGermany

Intraperitoneal carcinomatosis(PC)may occur with several tumor *** prognosis of patients suffering from PC is usually *** treatment depends on the cancer entity and includes systemic chemotherapy,radiation therapy,hormonal therapy and surgical *** few patients may also benefit from hyperthermic intraperitoneal chemotherapy with a complete tumor *** therapies are often accompanied by severe systemic *** approach to reduce side effects is to target chemotherapeutic agents to the tumor with carrier *** experimental results have been achieved using drug-eluting beads(DEBs).A series of in vitro and in vitro experiments has been conducted to determine the suitability of their extravascular *** encapsulation devices were able to harbor CYP2B1producing cells and to shield them from the hosts immune system when injected *** this way ifosfamide-which is transformed into its active metabolites by CYP2B1-could be successfully targeted into pancreatic tumor *** DEBs can be used to target chemotherapeutics into the abdominal cavity for treatment of *** CYP2B1 producing cells are proven to be save for usage in man and if local toxic effects of chemotherapeutics can be controlled,DEBs will become promising tools in compartmentbased anticancer treatment.

关键词： Compartment based therapy Intraperitoneal Drug-eluting beads Carcinomatosis Hyperthermic intraperitoneal chemotherapy Glioblastoma Pancreatic cancer CYP2B1 Ifosfamide

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

In situ characterization of particle formation in spray flame synthesis using wide-angle light scattering

引用

Particuology 2024年第3期86卷 304-312页

作者： simon Aβmann Franz j.T.Huber Stefan Will lehrstuhl für Technische Thermodynamik(lTT) Friedrich-Alexander-Universitat Erlangen-Nürnberg(FAU)Erlangen91058Germany Erlangen Graduate Schoolin Advanced Optical Technologies(SAOT) Friedrich-Alexander-Universitat Erlangen-Nurnberg(FAU)Erlangen91052Germany Competence Unit Engineering of Advanced Materials(EAM) Friedrich-Alexander-Universitat Erlangen-Nürnberg(FAU)Erlangen91052Germany

Wide-angle light scattering(WAlS)was used for in situ measurements of droplet and nanoparticle size distributions during the synthesis of titania and iron oxide particles from liquid precursor solutions in the standardized SpraySyn burner for spray flame *** was synthesized from titanium tetraisopropoxide(TTIP)and iron oxide from iron(II)nitrate nonahydrate(INN)using ethanol(EtOH)as *** images were taken at heights up to 120 mm above the burner surface and classified into droplet and particle *** size distributions were derived from a sequential analysis of scattering data containing the oscillating Mie pattern,the lognormal size distribution parameters for spherical and fractal particle fractions from a multivariate approach on averaged particle scattering *** results show that the precursor addition leads to altered evaporation behavior and even droplet disruption probably induced by puffing or micro-explosions compared to pure *** the case of TTIP(a hygroscopic alkoxide),the synthesis of a large fraction of spheres was observed,while the nitrate INN leads to the formation of mostly fractal aggregates.

关键词： Spray flame synthesis Metal oxide particles Elastic light scattering Droplet size distribution Nanoparticle morphology Particle size distribution

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Pharmacological applications of a novel neoepitope antibody to a modified amyloid precursor protein-derived beta-secretase product

引用

Protein & Cell 2011年第7期2卷 573-584页

作者： Guoxin Wu Sethu Sankaranarayanan Donna l.Montgomery Adam j.simon Zhiqiang An Mary j.Savage Department of Neurology Merck Research LaboratoryWest PointPA 19486USA Department of Biologics Research Merck Research LaboratoryWest PointPA 19486USA

We have previously described a novel artificial NFEVβ-secretase(BACE1)cleavage site,which when introduced into the amyloid-βprecursor protein(APP),significantly enhances APP cleavage by BACE1 in in vitro and cellular *** this study,we describe the identification and characterization of a single chain fragment of variable region(scFv),specific to the EV neo-epitope derived from BACE1 cleavage of the NFEV-containing peptide,and its conversion to *** the scFv displayed on phage and EV-IgG1 show exquisite specificity for binding to the EV neoepitope without cross-reactivity to other NFEV containing peptides or WT-APP KMDA cleavage ***-IgG1 can detect as little as 0.3 nmol/l of the EV ***-IgG1 antibody was purified,conjugated with alkaline phosphatase and utilized in various biological *** the BACE1 enzymatic assay using NFEV substrate,a BACE1 inhibitor MRK-3 inhibited cleavage with an IC50 of 2.4 nmol/l with excellent *** an APP_NFEV stable SH-SY5Y cellular assay,the EC_(50) for inhibition of EV-Aβ peptide secretion with MRK-3 was 236 nmol/l,consistent with values derived using an EV polyclonal *** an APP_NFEV knock-in mouse model,both Aβ_EV40 and Aβ_EV42 peptides in brain homogenate showed excellent gene dosage *** conclusion,the EV neoepitope specific monoclonal antibody is a novel reagent for BACE1 inhibitor discovery for both in vitro,cellular screening assays and in vivo biochemical *** methods described herein are generally applicable to novel synthetic substrates and enzyme targets to enable robust screening platforms for enzyme inhibitors.

关键词： scFv antibody BACE1 amyloid-βprecursor protein(APP) immunoassay

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Analysis of longitudinal Profiles along the Eastern Margin of the Qinghai-Tibetan Plateau

引用

journal of Mountain Science 2013年第4期10卷 643-657页

作者： simon j. Aiken Gary j. Brierley School of Environment the University of AucklandAuckland 1010 New Zealand

Resulting from the collision of the Eurasian and Indian plates, the Qinghai-Tibetan Plateau is commonly known as the ＇roof of the world＇. Collectively the Yarlung Tsangpo, Nu, laneang, Yangtze, Yalong, and Yellow River basins drain the eastern margin of the plateau. In this paper, we utilize Shuttle Radar Topography Mission elevation data to examine morphometric and relief attributes of these basins to reveal insights rates of incision. A robust into tectonic activity and technique using Maflab is proposed to alleviate errors associated with SRTM data in the derivation of river longitudinal profiles. Convex longitudinal profiles are interpreted to be a product of uplift rates that exceed rates of channel incision along the entire margin of the Qinghai- Tibetan Plateau. Highest relief towards the south reflects extensive fluvial incision. High relief is also prominent along major active faults. Erosion patterns are related to distance from knickpoints. Highest rates of erosion and incision are evident towards the south, with decreasing values towards the north, suggesting a link between tectonic activity and erosion.

关键词： longitudinal profile Erosion Relief Tectonics Qinghai-Tibetan Plateau

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Taking FAIR on the ChIN:The Chemistry Implementation Network

引用

Data Intelligence 2020年第1期2卷 131-138,310页

作者： simon j.Coles jeremy G.Frey Egon l.Willighagen Stuart j.Chalk School of Chemistry Faculty of Engineering and Physical SciencesUniversity of SouthamptonSouthampton SO171BJUK Department of Bioinformatics Maastricht UniversityMaastrichtLimburg 6200 MDThe Netherlands Department of Chemistry University of North FloridaJacksonvilleFL 32224-7699USA

The Chemistry Implementation Network(ChIN)is focused on supporting the FAIR Data needs of the research community regarding chemical related *** Implementation Network is a consortium drawn from a community,in this case the chemistry discipline,committed to defining and constructing standards,materials and software in the spirit of the FAIR data principles and under the structure of the GO FAIR ***,as a core science the ChIN has to reach beyond the chemistry community and support the use of chemical information in other *** will be facilitated through connections in the GO FAIR ecosystem of Implementation *** of the FAIR chemical concepts that need to be supported include molecular and materials structures,chemical reactions,nomenclature and other chemical terminology and *** ChIN aims to drive forward the application of the FAIR Data Principles relating to the full range of chemistry concepts that are key to the transparent and efficient communication of chemical *** the goal of FAIR chemistry data will require a culture change across the *** this is best addressed once a critical mass of tools and approaches has been developed.

关键词： Chemistry Chemical information Chemistry data Chemical data standards Infrastructure Nomenclature Molecular structure Materials structure Chemical reactions Education Community engagement Endorsement and governance

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

The complexity of sediment recycling as revealed by common Pb isotopes in K-feldspar

引用

Geoscience Frontiers 2018年第5期9卷 1515-1527页

作者： simon P.johnson Christopher l.Kirkland Noreen j.Evans Brad j.McDonald Huntly N.Cutten Geological Survey of Western Australia Mineral House100 Plain StreetEast PerthWestern Australia6004Australia Centre for Exploration Targeting-Curtin Node The Institute for Geoscience ResearchDepartment of Applied GeologyWestern Australian School of MinesCurtin UniversityPerthWestern Australia6102Australia john de laeter Centre The Institute for Geoscience ResearchDepartment of Applied Geology and Applied PhysicsCurtin UniversityPerthWestern Australia6102Australia

Detrital zircon U-Pb geochronology has become the gold standard in evaluating source to sink relationships in sedimentary basins. However, the physical and chemical robustness of zircon, which make it such a useful mineral for provenance studies, is also a hindrance as zircon can be recycled through numerous sedimentary basins, thus obscuring the first cycle source to sink relationship. An elegant approach to addressing this potential issue is to compare the Pb isotope composition of detrital K-feldspar, a mineral which is unlikely to survive more than one erosion-transport-deposition cycle, with that of magmatic K-feldspar from potential basement source terranes. Here we present new in situ Pb isotope data on detrital K-feldspar from two Proterozoic arkosic sandstones from Western Australia, and magmatic K-feldspar grains from potential igneous source rocks, as inferred by the age and Hf isotope composition of detrital zircon grains. The data indicate that the detrital zircon and K-feldspar grains could not have been liberated from the same source rocks, and that the zircon has most likely been recycled through older sedimentary basins. These results provide a more complete understanding of apparently simple source to sink relationships in this part of Proterozoic Western Australia.

关键词： Detrital zircon K-feldspar Pb isotopes Sediment provenance Sediment recycling

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Influence of interparticle interactions on the kinetics of self-assembly and mechanical strength of nanoparticulate aggregates

引用

Particuology 2009年第2期7卷 106-113页

作者： Roberto Moreno-Atanasio simon j.Antony Richard A.Williams Institute of Particle Science and Engineering University of LeedsLeedsLS2 9JTUnited Kingdom

Computer simulations based on Discrete Element Method have been performed in order to investigate the influence of interparticle interactions on the kinetics of self-assembly and the mechanical strength of nanoparticle aggregates. Three different systems have been considered. In the first system the interaction between particles has been simulated using the jKR （johnson, Kendall and Roberts） contact theory, while in the second and third systems the interaction between particles has been simulated using van der Waals and electrostatic forces respectively. In order to compare the mechanical behaviour of the three systems, the magnitude of the maximum attractive force between particles has been kept the same in all cases. However, the relationship between force and separation distance differs from case to case and thus, the range of the interparticle force. The results clearly indicate that as the range of the interparticle force increases, the self-assembly process is faster and the work required to produce the mechanical failure of the assemblies increases by more than one order of magnitude.

关键词： Nanoparticles Discrete Element Method (DEM) Self-assembly jKR model van der Waals force

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Costs of resistance to fungal pathogens in genetically modified wheat

引用

journal of Plant Ecology 2013年第1期6卷 101-112页

作者： simon l.Zeller Olena Kalinina Bernhard Schmid Institute of Evolutionary Ecology and Environmental Studies University of ZurichWinterthurerstrasse 1908057 ZurichSwitzerland

Aims Many resistance genes against fungal pathogens show costs of *** modified(GM)plants that differ in only one or a few resistance genes from control plants present ideal systems for measuring these costs in the absence of *** To assess the ecological relevance of costs of pathogen resistance,we grew individual plants of four transgenic spring wheat lines in a field trial with three pathogen levels and varied the genetic diversity of the *** Findings We found that two lines with a Pm3b transgene were more resistant to powdery mildew than their sister lines of the variety Bobwhite,whereas lines with chitinase(A9)or chitinase and glucanase(A13)transgenes were not more resistant than their mother variety ***,in the absence of the pathogen,both the GM lines of Bobwhite as well as those of Frisal performed significantly worse than their controls,***3b#1 and Pm3b#2 had 39%or 53%and A9 and A13 had 14%or 23%lower *** the presence of the pathogen,all GM lines except Pm3b#2 could increase their yields and other fitness-related traits,reaching the performance levels of the control *** Pm3b#2 seemed to have lost its phenotypic plasticity and had low performance in all *** may have been caused by very high transgene *** synergistic effects of mixing different GM lines with each other were *** might have been due to high transgene expression or the similarity between the lines regarding their resistance *** conclude that costs of resistance can be high for transgenic plants with constitutive transgene expression and that this can occur even in cases where the non-transgenic control lines are already relatively resistant,such as in our variety *** plants could only compete with conventional varieties in environments with high pathogen ***,the large variability among the GM lines,which may be due to unpredictable transgene expression,su

关键词： powdery mildew resistance genes transgene expression transgene stacking yield

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

欢迎您,

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案：

请选择收藏分类：

通借通还

欢迎您,

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：