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Temperature and composition dependent screw dislocation mobility in austenitic stainless steels from large-scale molecular dynamics

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npj Computational Materials 2020年第1期6卷 176-185页

作者： Kevin Chu Michael E.Foster Ryan B.Sills Xiaowang Zhou Ting Zhu david l.mcdowell School of Materials Science and Engineering Georgia Institute of Technology AtlantaAtlantaGA 30332USA Sandia National laboratories LivermoreCA 94550USA Department of Materials Science and Engineering Rutgers UniversityPiscatawayNJ 08854USA Woodruff School of Mechanical Engineering Georgia Institute of TechnologyAtlantaGA 30332USA

Extensive molecular dynamics simulations are performed to determine screw dislocation mobility in austenitic Fe_(0.7)NixCr_(0.3-x) stainless steels as a function of temperature ranging from 100 to 1300 K,resolved shear stress from 30 to 140 MPa,and Ni composition from 0.0 to 30.0 at%.These mobility data are fitted to a linear mobility law with a nonzero stress offset,referred to as the threshold *** find that both the linear drag coefficient and the threshold stress increase with Ni *** drag coefficient increases with temperature,whereas the threshold stress decreases with *** on these calculations,we determine fitting functions for the linear solute drag coefficient as a function of temperature and *** mobility laws determined in this study may serve to inform dislocation dynamics simulations pertinent to dislocation network evolution at elevated temperatures for a wide composition range of austenitic stainless steels.

关键词： austenitic dislocation dynamics

On the mechanistic origins of maximum strength in nanocrystalline metals

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npj Computational Materials 2020年第1期6卷 393-404页

作者： Ankit Gupta Jacob Gruber Satish S.Rajaram Gregory B.Thompson david l.mcdowell Garritt J.Tucker Colorado School of Mines Mechanical EngineeringGoldenCO 80401USA Department of Mechanical Engineering Drexel UniversityPhiladelphiaPA 19104USA Department of Metallurgical and Materials Engineering University of AlabamaTuscaloosaAL 35487USA Department of Mechanical Engineering Georgia Institute of TechnologyAtlantaGA 30332USA

The maximum strength of polycrystalline metals/alloys has been suggested to occur at nanoscale grain sizes where the governing deformation mechanism transitions from dislocation plasticity to grain boundary mediated *** tremendous progress recently uncovering links between transitions in nanoscale mechanisms and peak strength,the scientific literature is mostly devoid of any quantitative support,owing to the difficulty in measuring the resolved contribution of individual mechanisms to microstructural strain *** this study,the contribution of individual nanoscale mechanisms to the overall deformation of nanocrystalline Ni is calculated from atomistic simulations leveraging continuum-based kinematic metrics to compute mechanistic contributions to microstructural strain.

关键词： strength deformation grain

A multi-sensor appiproach to calving detection

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Information Processing in Agriculture 2024年第1期11卷 45-64页

作者： Anita Z.Chang david l.Swain Mark G.Trotter Institute for Future Farming Systems School of HealthMedicaland Applied SciencesCentral Queensland UniversityRockhamptonQueensland 4700Australia

The advent of remote livestock monitoring systems provides numerous possibilities for improving on-farm productivity,efficiency,and *** potential application for these systems is for the detection of calving *** study describes the integration of data from multiple sensor sources,including accelerometers,global navigation satellite systems(GNsS),an accelerometer-derived rumination algorithm,a walk-over-weigh unit,and a weather station for parturition detection using a support vector machine *** best performing model utilised data from GNsS,the ruminating algorithm,and weather stations to achieve 98.6%accuracy,with 88.5%sensitivity and 100%*** topranking features of this model were primarily GNSS *** study provides an overview as to how various sensor systems could be integrated on-farm to maximise calving detection for improved production and welfare outcomes.

关键词： Accelerometer GNSS GPS Rumination Sensor WOW

The flattening of spacetime hierarchy of the N,N-dimethyltryptamine brain state is characterized by harmonic decomposition of spacetime(HADES) framework

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National Science Review 2024年第5期11卷 46-55页

作者： Jakub Vohryzek Joana Cabral Christopher Timmermann Selen Atasoy leor Roseman david J.Nutt Robin l.Carhart-Harris Gustavo Deco Morten l.Kringelbach Centre for Eudaimonia and Human Flourishing Linacre CollegeDepartment of Psychiatry University of Oxford Department of Psychiatry University of Oxford Center for Music in the Brain Aarhus University Center for Brain and Cognition Computational Neuroscience GroupDepartment of Information and Communication TechnologiesUniversitat Pompeu Fabra life and Health Sciences Research Institute School of MedicineUniversity of Minho ICVS/3B's-PT Government Associate laboratory Centre for Psychedelic Research Department of Brain Sciences Imperial College London Departments of Neurology and Psychiatry University of California San Francisco Institució Catalana de la Recerca i Estudis Avan?ats (ICREA) Department of Neuropsychology Max Planck Institute for Human Cognitive and Brain Sciences School of Psychological Sciences Monash University

The human brain is a complex system, whose activity exhibits flexible and continuous reorganization across space and time. The decomposition of whole-brain recordings into harmonic modes has revealed a repertoire of gradient-like activity patterns associated with distinct brain functions. However, the way these activity patterns are expressed over time with their changes in various brain states remains unclear. Here, we investigate healthy participants taking the serotonergic psychedelic N,N-dimethyltryptamine(DMT) with the Harmonic Decomposition of Spacetime(HADES) framework that can characterize how different harmonic modes defined in space are expressed over time. HADES demonstrates significant decreases in contributions across most low-frequency harmonic modes in the DMT-induced brain state. When normalizing the contributions by condition(DMT and non-DMT), we detect a decrease specifically in the second functional harmonic, which represents the uni-to transmodal functional hierarchy of the brain,supporting the leading hypothesis that functional hierarchy is changed in psychedelics. Moreover, HADES'dynamic spacetime measures of fractional occupancy, life time and latent space provide a precise description of the significant changes of the spacetime hierarchical organization of brain activity in the psychedelic state.

关键词： spatio-temporal brain dynamics DMT harmonic modes

Explainable artificial intelligence in breast cancer detection and risk prediction:A systematic scoping review

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Cancer Innovation 2024年第5期3卷 1-22页

作者： Amirehsan Ghasemi Soheil Hashtarkhani david l.Schwartz Arash Shaban‐Nejad Department of Pediatrics Center for Biomedical InformaticsCollege of MedicineUniversity of Tennessee Health Science CenterMemphisTennesseeUSA The Bredesen Center for Interdisciplinary Research and Graduate Education University of TennesseeKnoxvilleTennesseeUSA Department of Radiation Oncology College of MedicineUniversity of Tennessee Health Science CenterMemphisTennesseeUSA

With the advances in artificial intelligence(AI),data‐driven algorithms are becoming increasingly popular in the medical ***,due to the nonlinear and complex behavior of many of these algorithms,decision‐making by such algorithms is not trustworthy for clinicians and is considered a blackbox ***,the scientific community has introduced explainable artificial intelligence(XAI)to remedy the *** systematic scoping review investigates the application of XAI in breast cancer detection and risk *** conducted a comprehensive search on Scopus,IEEE Explore,PubMed,and Google Scholar(first 50 citations)using a systematic search *** search spanned from January 2017 to July 2023,focusing on peer‐reviewed studies implementing XAI methods in breast cancer *** studies met our inclusion criteria and were included in the *** results revealed that SHapley Additive exPlanations(SHAP)is the top model‐agnostic XAI technique in breast cancer research in terms of usage,explaining the model prediction results,diagnosis and classification of biomarkers,and prognosis and survival ***,the SHAP model primarily explained tree‐based ensemble machine learning *** most common reason is that SHAP is model agnostic,which makes it both popular and useful for explaining any model ***,it is relatively easy to implement effectively and completely suits performant models,such as tree‐based *** AI improves the transparency,interpretability,fairness,and trustworthiness of AI‐enabled health systems and medical devices and,ultimately,the quality of care and outcomes.

关键词： breast cancer deep learning explainable artificial intelligence interpretable AI machine learning XAI

Prevalence of Helicobacter pylori infection among patients with esophageal carcinoma

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World Journal of Gastroenterology 2024年第29期30卷 3479-3487页

作者： Miriam lópez-Gómez Maria Morales Rebeca Fuerte Marta Muñoz Pedro-david Delgado-lópez Jorge Francisco Gómez-Cerezo Enrique Casado Department of Medical Oncology Precision Oncology LaboratoryInfanta Sofía University HospitalSan Sebastián de los Reyes 28231MadridSpain Department of Medical Oncology Infanta Sofía University HospitalSan Sebastián de los Reyes 28702Spain Department of Internal Medicine Infanta Sofía University HospitalSan Sebastián de los Reyes 28703MadridSpain Department of Pathology Infanta Sofía University HospitalSan Sebastián de los Reyes 28702Spain Department of Neurosurgery Burgos University HospitalBurgos 09006Spain Department of Internal Medicine Infanta Sofía University Hospital and Henares University Hospital Foundation for Biomedical Research and InnovationSan Sebastian de los Reyes 28702MadridSpain Department of Medical Oncology Infanta Sofia University Hospital and Henares University Hospital Foundation for Biomedical Research and InnovationSan Sebastian de los Reyes 28702MadridSpain

BACKGROUND Helicobacter pylori(***)is a widespread microorganism related to gastric adenocarcinoma(AC).In contrast,it has been reported that an inverse association exists between *** infection and esophageal *** mechanisms underlying this supposedly protective effect remain *** To determine the prevalence of *** infection in esophageal carcinoma patients,we performed a retrospective observational study of esophageal tumors diagnosed in our *** We retrospectively reviewed the prevalence of *** infection in a cohort of patients diagnosed with esophageal *** or previous proton pump inhibitor(PPI)usage was also *** A total of 89 patients with esophageal carcinoma(69 males,77.5%),with a mean age of 66 years(range,26-93 years)were *** was the most frequent pathological variant(n=47,52.8%),followed by squamous cell carcinoma(n=37,41.6%).Fourteen ACs(29.8%)originated in the gastroesophageal junction and 33(70.2%)in the esophageal ***,54 patients(60.7%)presented at stages III and *** *** infection occurred only in 4 patients(4.5%),3 with AC(6.3%of all ACs)and 1 with squamous cell carcinoma(2.7%of all squamous cell tumors).All patients with previous *** infection had stage *** one patient had received prior *** eradication therapy,whereas 86(96.6%)had received previous or concomitant PPI *** In our cohort of patients,and after histologic evaluation of paraffin-embedded primary tumors,we found a very low prevalence of previous *** *** also reviewed the medical history of the patients,concluding that the majority had received or were on PPI *** minimal prevalence of *** infection found in this cohort of patients with esophageal carcinoma suggests a protective role.

关键词： Helicobacter pylori Eradication Esophageal tumor Dysbiosis Proton pump inhibitors Carcinogenesis Microbiota Incidence

Examining the effects of voluntary avoidance behaviour and policy-mediated behaviour change on the dynamics of SARS-CoV-2:A mathematical model

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Infectious Disease Modelling 2024年第3期9卷 701-712页

作者： Gabrielle Brankston david N.Fisman Zvonimir Poljak Ashleigh R.Tuite Amy l.Greer Department of Population Medicine University of GuelphCanada Dalla lana School of Public Health University of TorontoCanada Centre for Immunization Readiness Public Health Agency of CanadaOttawaOntarioCanada

Background Throughout the SARS-CoV-2 pandemic,policymakers have had to navigate between recommending voluntary behaviour change and policy-driven behaviour change to mitigate the impact of the *** individuals will voluntarily engage in self-protective behaviour when there is an increasing infectious disease risk,the extent to which this occurs and its impact on an epidemic is not *** This paper describes a deterministic disease transmission model exploring the impact of individual avoidance behaviour and policy-mediated avoidance behaviour on epidemic outcomes during the second wave of SARS-CoV-2 infections in Ontario,Canada(September 1,2020 to February 28,2021).The model incorporates an information feedback function based on empirically derived behaviour data describing the degree to which avoidance behaviour changed in response to the number of new daily cases *** Voluntary avoidance behaviour alone was estimated to reduce the final attack rate by 23.1%,the total number of hospitalizations by 26.2%,and cumulative deaths by 27.5%over 6 months compared to a counterfactual scenario in which there were no interventions or avoidance behaviour.A provincial shutdown order issued on December 26,2020 was estimated to reduce the final attack rate by 66.7%,the total number of hospitalizations by 66.8%,and the total number of deaths by 67.2%compared to the counterfactual *** Given the dynamics of SARS-CoV-2 in a pre-vaccine era,individual avoidance behaviour in the absence of government action would have resulted in a moderate reduction in disease however,it would not have been sufficient to entirely mitigate transmission and the associated risk to the population in *** action during the second wave of the COVID-19 pandemic in Ontario reduced infections,protected hospital capacity,and saved lives.

关键词： Mathematical modelling COVID-19 SARS-CoV-2 Human behaviour

Electrifying Ba_(0.5)Sr_(0.5)Co_(0.8)Fe_(0.2)O_(3-δ) for focalized heating in oxygen transport membranes

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Journal of Energy Chemistry 2024年第4期91卷 99-110页

作者： Marwan laqdiem Julio García-Fayos laura Almar Alfonso J.Carrillo Álvaro Represa JoséM.lópez Nieto Sonia Escolástico david Catalán-Martinez Jose M.Serra Instituto de Tecnología Química(Universitat Politècnica de València–Consejo Superior de Investigaciones Científicas) Av.Los Naranjos s/nE-46022 ValenciaSpain

Industry decarbonization requires the development of highly efficient and flexible technologies relying on renewable energy resources,especially biomass and solar/wind *** the case of pure oxygen production,oxygen transport membranes(OTMs)appear as an alternative technology for the cryogenic distillation of air,the industrially-established process of producing ***,OTMs could provide oxygen from different sources(air,water,CO_(2),etc.),and they are more flexible in adapting to current processes,producing oxygen at 700^(-1)000℃.Furthermore,OTMs can be integrated into catalytic membrane reactors,providing new pathways for different *** first part of this study was focused on electrification on a traditional OTM material(Ba_(0.5)Sr_(0.5)Co_(0.8)Fe_(0.2)O_(3-δ)),imposing different electric currents/voltages along a capillary *** to the emerging Joule effect,the membrane-surface temperature and the associated O_(2) permeation flux could be ***,the OTM is electrically and locally heated and reaches 900℃on the surface,whereas the surrounding of the membrane was maintained at 650℃.The O_(2)permeation flux reached for the electrified membranes was~3.7 Nml min^(-1)cm^(-2),corresponding to the flux obtained with an OTM non-electrified at 900℃.The influence of depositing a porous Ce_(0.8)Tb_(0.2)O_(2-δ) catalytic/protective layer on the outer membrane surface revealed that lower surface temperatures(830℃)were detected at the same imposed electric ***,the electrification concept was demonstrated in a catalytic membrane reactor(CMR)where the oxidative dehydrogenation of ethane(ODHE)was carried *** reaction is very sensitive to temperature,and here,we demonstrate an improvement of the ethylene yield by reaching moderate temperatures in the reaction chamber while the O_(2) injection into the reaction can be easily fine-tuned.

关键词： Oxygen permeation Oxidative dehydrogenation of ethane Oxygen transport membranes Joule effect Mixed ionic-electronic conductors Catalytic membrane reactors

Functional mechanism study of the allelochemical myrigalone A identifies a group of ultrapotent inhibitors of ethylene biosynthesis in plants

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Plant Communications 2024年第6期5卷 246-262页

作者： George Heslop-Harrison Kazumi Nakabayashi Ana Espinosa-Ruiz Francesca Robertson Robert Baines Christopher R.l.Thompson Katrin Hermann david Alabadí Gerhard leubner-Metzger Robin S.B.Williams Centre for Biomedical Sciences Department of Biological SciencesRoyal Holloway University of LondonEgham TW200EXUK Centre for Plant Molecular Sciences Department of Biological SciencesRoyal Holloway University of LondonEgham TW200EXUK Instituto de Biología Molecular y Celular de Plantas(CSIC-UPV) 46022 ValenciaSpain Centre for life’s Origins and Evolution Department of GeneticsEvolution and EnvironmentUniversity College LondonLondonUK Syngenta Crop Protection AGSteinSwitzerland

Allelochemicals represent a class of natural products released by plants as root,leaf,and fruit exudates that interfere with the growth and survival of neighboring *** how allelochemicals function to regulate plant responses may provide valuable new approaches to better control plant *** such allelochemical,Myrigalone A(MyA)produced by Myrica gale,inhibits seed germination and seedling growth through an unknown ***,we investigate MyA using the tractable modelDictyostelium discoideum and reveal that its activity depends on the conserved homolog of the plant ethylenesynthesis protein 1-aminocyclopropane-1-carboxylic acid oxidase(ACO).Furthermore,in silico modeling predicts the direct binding of MyA to ACO within the catalytic *** ***,ablation of ACO mimics the MyA-dependent developmental delay,which is partially restored by exogenous ethylene,and MyA reduces ethylene *** Arabidopsis thaliana,MyA treatment delays seed germination,and this effect is rescued by exogenous *** also mimics the effect of established ACO inhibitors on root and hypocotyl extension,blocks ethylenedependent root hair production,and reduces ethylene ***,in silico binding analyses identify a rangeof highlypotentethylene inhibitorsthatblock ethylene-dependent responseand reduce ethyleneproduction in ***,we demonstrate a molecular mechanism by which the allelochemical MyA reduces ethylene biosynthesis and identify a range of ultrapotent inhibitors of ethylene-regulated responses.

关键词： 1-aminocyclopropane-1-carboxylic acid ACC ACC oxidase ACO allelochemicals ethylene synthesis inhibitors structure-activity relationship