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npj Computational Materials 2023年第1期9卷 2053-2065页

作者： Jiyun Park Boyuan Xu Jie Pan Dawei Zhang stephan lany Xingbo Liu Jian Luo Yue Qi School of Engineering Brown UniversityProvidenceRI 02912USA Department of Physics Brown UniversityProvidenceRI 02912USA Department of Chemical Engineering and Materials Science Michigan State UniversityEast LansingMI 48824USA Program of Materials Science and Engineering University of California San DiegoLa JollaCA 92093USA Materials Science Center National Renewable Energy LaboratoryGoldenCO 80401USA Department of Mechanical and Aerospace Engineering Benjamin M.Statler College of Engineering and Mineral ResourcesWest Virginia UniversityMorgantownWV 26506USA Department of NanoEngineering University of California San DiegoLa JollaCA 92093USA

Entropic stabilized ABO_(3) perovskite oxides promise many applications,including the two-step solar thermochemical hydrogen(STCH)production.Using binary and quaternary A-site mixed{A}FeO_(3) as a model system,we reveal that as more cation types,especially above four,are mixed on the A-site,the cell lattice becomes more cubic-like but the local Fe–O octahedrons are more distorted.By comparing four different Density Functional Theory-informed statistical models with experiments,we show that the oxygen vacancy formation energies(E^(f)_(V))distribution and the vacancy interactions must be considered to predict the oxygen non-stoichiometry(δ)accurately.For STCH applications,the E^(f)_(V) distribution,including both the average and the spread,can be optimized jointly to improveΔδ(difference ofδbetween the two-step conditions)in some hydrogen production levels.This model can be used to predict the range of water splitting that can be thermodynamically improved by mixing cations in{A}FeO_(3) perovskites.

关键词： perovskite vacancy oxides

Perfect short-range ordered alloy with line-compound-like properties in the ZnSnN_(2):ZnO system

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npj Computational Materials 2020年第1期6卷 1132-1137页

作者： Jie Pan Jacob J.Cordell Garritt J.Tucker Andriy Zakutayev Adele C.Tamboli stephan lany Materials Science Center National Renewable Energy LaboratoryGoldenCO 80401USA Department of Mechanical Engineering Colorado School of MinesGoldenCO 80401USA

We present a new solid-state material phase which is a disordered solid solution but offers many ordered line-compound features.The emergent physical phenomena are rooted in the perfect short-range order which conserves the local octet rule.We model the dual-sublattice-mixed semiconductor alloy (ZnSnN_(2))_(1-x)(ZnO)_(2x) using first-principles calculations,Monte-Carlo simulations with a model Hamiltonian,and an extension of the regular solution model by incorporating short-range order.

关键词： alloy ordered compound

The role of decomposition reactions in assessing first-principles predictions of solid stability

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npj Computational Materials 2019年第1期5卷 1120-1128页

作者： Christopher J.Bartel Alan W.Weimer stephan lany Charles B.Musgrave Aaron M.Holder Department of Chemical and Biological Engineering University of ColoradoBoulderCO 80309USA National Renewable Energy Laboratory GoldenCO 80401USA Department of Chemistry University of ColoradoBoulderCO 80309USA

The performance of density functional theory approximations for predicting materials thermodynamics is typically assessed by comparing calculated and experimentally determined enthalpies of formation from elemental phases,ΔH_(f).However,a compound competes thermodynamically with both other compounds and their constituent elemental forms,and thus,the enthalpies of the decomposition reactions to these competing phases,ΔH_(d),determine thermodynamic stability.We evaluated the phase diagrams for 56,791 compounds to classify decomposition reactions into three types:1.those that produce elemental phases,2.those that produce compounds,and 3.those that produce both.This analysis shows that the decomposition into elemental forms is rarely the competing reaction that determines compound stability and that approximately two-thirds of decomposition reactions involve no elemental phases.Using experimentally reported formation enthalpies for 1012 solid compounds,we assess the accuracy of the generalized gradient approximation(GGA)(PBE)and meta-GGA(SCAN)density functionals for predicting compound stability.For 646 decomposition reactions that are not trivially the formation reaction,PBE(mean absolute difference between theory and experiment(MAD)=70 meV/atom)and SCAN(MAD=59 meV/atom)perform similarly,and commonly employed correction schemes using fitted elemental reference energies make only a negligible improvement(~2 meV/atom).Furthermore,for 231 reactions involving only compounds(Type 2),the agreement between SCAN,PBE,and experiment is within~35 meV/atom and is thus comparable to the magnitude of experimental uncertainty.

关键词： stability stability solid

Prevention of ventilator-associated pneumonia with inhaled antibiotics

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World Journal of Emergency Medicine 2024年第3期15卷 165-168页

作者： stephan Ehrmann Jie Li Intensive Care Medicine INSERM CIC 1415CRICS-TriggerSep FCRIN research networkUniversity Hospital Center in ToursTours 37044France Respiratory Pathology Research Center National Institute of Health and Medical ResearchTours 37000France Department of Cardiopulmonary Sciences Division of Respiratory CareRush UniversityChicago 60612USA

The direct delivery of inhaled antibiotics to the respiratory tract has been a subject of enduring interest among medical practitioners and researchers due to the associated favorable pharmacokinetics.This interest has been particularly pronounced in the context of critically illpatients,wherehealthcare-associatedpulmonary infections represent a significant challenge,driving continued exploration of inhaled antibiotics for intubated patients.Recent high-level evidence has shown a very promising application in the field of ventilator-associated pneumonia (VAP) prevention.^([1]).

关键词： pneumonia ventilator respiratory

Small mammal community composition impacts bank vole (Clethrionomys glareolus) population dynamics and associated seroprevalence of Puumala orthohantavirus

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Integrative Zoology 2024年第1期19卷 52-65页

作者： Felicitas Maria BUJNOCH Daniela REIL stephan DREWES Ulrike MROSENFELD Rainer G.ULRICH Jens JACOB Christian IMHOLT Julius Kühn-Institute Federal Research Centre for Cultivated PlantsInstitute for Epidemiology and Pathogen DiagnosticsRodent ResearchMünsterGermany University of Münster Institute for Evolution and BiodiversityMünsterGermany Friedrich-Loeffler-Institut Federal Research Institute for Animal HealthInstitute of Novel and Emerging Infectious DiseasesGreifswald-Insel RiemsGermany

Rodents are important reservoirs for zoonotic pathogens that cause diseases in humans.Biodiversity is hypoth-esized to be closely related to pathogen prevalence through multiple direct and indirect pathways.For example,the presence of non-host species can reduce contact rates of the main reservoir host and thus reduce the risk of transmission(“dilution effect”).In addition,an overlap in ecological niches between two species could lead to increased interspecific competition,potentially limiting host densities and reducing density-dependent pathogen transmission processes.In this study,we investigated the relative impact of population-level regulation of direct and indirect drivers of the prevalence of Puumala orthohantavirus(PUUV)in bank voles(Clethrionomys glareolus)during years with high abundance.We compiled data on small mammal community composition from four regions in Germany between 2010 and 2013.Structural equation modeling revealed a strong seasonality in PUUV control mechanisms in bank voles.The abundance of shrews tended to have a negative relationship with host abundance,and host abundance positively influenced PUUV seroprevalence,while at the same time increasing the abundance of competing non-hosts like the wood mouse(Apodemus sylvaticus)and the yellow-neckedfield mouse(Apodemusflavicollis)were associated with reduced PUUV seroprevalence in the host.These results indicate that for PUUV in bank voles,dilution is associated with increased interspecific competition.Anthropogenic pressures leading to the decline of Apodemus spp.in a specific habitat could lead to the amplification of mechanisms promoting PUUV transmission within the host populations.

关键词： bank vole biodiversity Puumala orthohantavirus small mammals

Epidemiologic investigation of pediatric distal humerus fractures: An American insurance claims database study

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World Journal of Orthopedics 2024年第1期15卷 52-60页

作者： Kyle Jay Klahs Jake E Dertinger Grant T Mello Kevin Thapa Alexis B Sandler E'stephan J Jesus Garcia Nata Parnes Department of Orthopaedic Surgery Texas Tech University Health Sciences-El PasoEl PasoTX 79905United States Medical School California Health Sciences University College of Osteopathic MedicineClovisCA 93611United States Undergraduate School Binghampton UniversityVestalNY 13902United States Department of Orthopaedic Surgery William Beaumont Army Medical CenterFort BlissTX 79918United States Department of Orthopaedic Surgery Carthage Area HospitalCarthageNY 13619United States

BACKGROUND Distal humerus elbow fractures are one of the most common traumatic fractures seen in pediatric patients and present as three main types:Supracondylar(SC),lateral condyle(LC),and medial epicondyle(ME)fractures.AIM To evaluate the epidemiology of pediatric distal humerus fractures(SC,LC,and ME)from an American insurance claims database.METHODS A retrospective review was performed on patients 17 years and younger with the ICD 9 and 10 codes for SC,LC and ME fractures based on the IBM Truven MarketScan®Commercial and IBM Truven MarketScan Medicare Supplemental databases.Patients from 2015 to 2020 were queried for treatments,patient age,sex,length of hospitalization,and comorbidities.RESULTS A total of 1133 SC,154 LC,and 124 ME fractures were identified.SC fractures had the highest percentage of operation at 83%,followed by LC(78%)and ME fractures(41%).Male patients were,on average,older than female patients for both SC and ME fractures.CONCLUSION In the insurance claims databases used,SC fractures were the most reported,followed by LC fractures,and finally ME fractures.Age was identified to be a factor for how a pediatric distal humerus fractures,with patients with SC and LC fractures being younger than those with ME fractures.The peak age per injury per sex was similar to reported historic central tendencies,despite reported trends for younger physiologic development.

关键词： Supracondylar humerus fracture Lateral condyle fracture Medial epicondyle fracture Pediatric elbow Truven Epidemiology

Exploring the effects of taurolidine on tumor weight and microvessel density in a murine model of osteosarcoma

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Oncology Research 2024年第7期32卷 1163-1172页

作者： LISANNE K.A.NEIJENHUIS LEUTA L.NAUMANN SONIA A.M.FERKEL SAMUEL J.S.RUBIN stephan ROGALLA Division of Gastroenterology and Hepatology Department of MedicineSchool of MedicineStanford UniversityStanford94305USA Department of Surgery Leiden University Medical CenterLeiden2333 ZAThe Netherlands Centre for Human Drug Research Leiden2333 CLThe Netherlands Department of General VisceralVascular and Thoracic SurgeryCharite University Medicine BerlinBerlin10117Germany

Background:Osteosarcoma is the most common malignant primary bone tumor.The prognosis for patients with disseminated disease remains very poor despite recent advancements in chemotherapy.Moreover,current treatment regimens bear a signiﬁcant risk of serious side effects.Thus,there is an unmet clinical need for effective therapies with improved safety proﬁles.Taurolidine is an antibacterial agent that has been shown to induce cell death in different types of cancer cell lines.Methods:In this study,we examined both the antineoplastic and antiangiogenic effects of taurolidine in animal models of osteosarcoma.K7M2 murine osteosarcoma cells were injected,both intramuscular and intraperitoneal,into 60 BALB/c mice on day zero.Animals were then randomized to receive treatment with taurolidine 2%(800 mg/kg),taurolidine 1%(400 mg/kg),or NaCl 0.9%control for seven days by intravenous or intraperitoneal administration.Results:After 35 days,mice were euthanized,and the tumors were harvested for analysis.Eighteen mice were excluded from the analysis due to complications.Body weight was signiﬁcantly lower in the 2%taurolidine intraperitoneal treatment group from day 9 to 21,consistent with elevated mortality in this group.Intraperitoneal tumor weight was signiﬁcantly lower in the 1%(p=0.003)and 2%(p=0.006)intraperitoneal taurolidine treatment groups compared to the control.No antineoplastic effects were observed on intramuscular tumors or for intravenous administration of taurolidine.There were no signiﬁcant differences in microvessel density or mitotic rate between treatment groups.Reduced body weight and elevated mortality in the 2%taurolidine intraperitoneal group suggest that the lower 1%dose is preferable.Conclusions:In conclusion,there is no evidence of antiangiogenic activity,and the antitumor effects of taurolidine on osteosarcoma observed in this study are limited.Moreover,its toxic proﬁle grants further evaluation.Given these observations,further research is necessary to reﬁne the use of taurolidine in osteosarcoma tre

关键词： Osteosarcoma Taurolidine Cancer treatment Chemotherapy Murine models

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应用人工智能的蒸馏工艺

流程工业 2024年第3期 18-19页

作者： Dominik stephan 《PROCESS》编辑部

大多数人能够想象到人工智能会画图、写文本或执行编程任务。但是人工智能是否可以帮助工厂操作人员控制蒸馏过程呢?令人惊奇的是,即使在复杂的蒸馏过程中,使用人工智能也可以胜任这项任务。自2022年初以来,ENEOS Materials公司就使用... 详细信息

大多数人能够想象到人工智能会画图、写文本或执行编程任务。但是人工智能是否可以帮助工厂操作人员控制蒸馏过程呢?令人惊奇的是,即使在复杂的蒸馏过程中,使用人工智能也可以胜任这项任务。自2022年初以来,ENEOS Materials公司就使用了人工智能解决方案控制蒸馏作业,而且在人工智能控制该公司化工厂蒸馏塔几乎一整年的时间内,都实现了平稳运行并表现出高水平的性能。据参与该项目的人员称,其结果在各个方面都令人满意,如更有效地利用原材料和能源流,在保证产品质量的前提下降低了对环境的影响,并实现了经改进的、稳定的运营流程。

关键词：人工智能蒸馏过程蒸馏工艺产品质量蒸馏塔能源流对环境的影响运营流程

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IO-Link让阀门更智能

流程工业 2024年第3期 20-21页

作者： Dominik stephan 《PROCESS》编辑部

迄今为止,阀门在工业生产中好像一直都扮演着默默无闻的“安全官”角色,它们控制着各种物质的流入和流出,非常耐心地等待着来自控制系统的指令,维持着生产的稳定运行。现在IO-Link作为一种数字通信接口,可以提供更多的传感器/执行器的数... 详细信息

迄今为止,阀门在工业生产中好像一直都扮演着默默无闻的“安全官”角色,它们控制着各种物质的流入和流出,非常耐心地等待着来自控制系统的指令,维持着生产的稳定运行。现在IO-Link作为一种数字通信接口,可以提供更多的传感器/执行器的数据,包括过程数据、诊断数据和设备信息等,实现自主调试和双向通信,进一步优化生产线并简化整个工业生产流程。

关键词：诊断数据控制系统过程数据 Link 执行器双向通信工业生产传感器

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氨为氢能产业带来发展新机遇

流程工业 2024年第5期 24-25页

作者： Dominik stephan 《PROCESS》

氢能作为一种备受追捧的零污染高效能源,其稀缺性使得人们对其渴求不已。然而,能耗巨大的压缩过程以及极低温度下的液化环节,被视为通往氢能转型之路上的重大障碍。在此背景下,氨成为热门的替代选项,尽管这种物质带有些许气味,但它有望... 详细信息

氢能作为一种备受追捧的零污染高效能源,其稀缺性使得人们对其渴求不已。然而,能耗巨大的压缩过程以及极低温度下的液化环节,被视为通往氢能转型之路上的重大障碍。在此背景下,氨成为热门的替代选项,尽管这种物质带有些许气味,但它有望成为能源转型中的奇迹材料。氢能以其独特的属性显示出巨大的应用潜力,然而,在推进大规模工业化生产与输送的过程中,氢能亦面临着显著的挑战。

关键词：氢能零污染能源转型高效能源大规模工业化压缩过程转型之路稀缺性