检索结果-南通市图书馆

First-principles calculations of hyperfine interaction,binding energy,and quadrupole coupling for shallow donors in silicon

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

npj Computational Materials 2020年第1期6卷 186-194页

作者： Michael W.Swift Hartwin Peelaers Sai Mu John J.L.Morton chris g.van de walle department of Physics University of CaliforniaSanta BarbaraCA 93106-9530USA US Naval Research Laboratory Center for Computational Materials ScienceWashingtonDC 20375USA Materials department University of CaliforniaSanta BarbaraCA 93106-5050USA department of Physics and Astronomy University of KansasLawrenceKansas 66045USA department of Electronic and Electrical Engineering UCLLondonWC1E 7JEUK

Spin qubits based on shallow donors in silicon are a promising quantum information technology with enormous potential scalability due to the existence of robust silicon-processing ***,the most accurate theories of donor electronic structure lack predictive power because of their reliance on empirical fitting parameters,while predictive ab initio methods have so far been lacking in accuracy due to size of the donor wavefunction compared to typical simulation *** show that density functional theory with hybrid and traditional functionals working in tandem can bridge this *** first-principles approach allows remarkable accuracy in binding energies(67 meV for bismuth and 54 meV for arsenic)without the use of empirical *** also obtain reasonable hyperfine parameters(1263 MHz for Bi and 133 MHz for As)and superhyperfine *** demonstrate the importance of a predictive model by showing that hydrostatic strain has much larger effect on the hyperfine structure than predicted by effective mass theory,and by elucidating the underlying mechanisms through symmetry analysis of the shallow donor charge density.

关键词： density donor hyperfine

Building Expertise on FAIR Through Evolving Bring Your Own Data(BYOD) Workshops: describing the Data, Software, and Management-focused Approaches and Their Evolution

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Data Intelligence 2024年第2期6卷 429-456页

作者： César H.Bernabé Lieze Thielemans Rajaram Kaliyaperumal Claudio Carta Shuxin Zhang Celia W.g.van gelder Nirupama Benis Luiz Olavo Bonino da Silva Santos Ronald Cornet Bruna dos Santos Vieira Nawel Lalout Ines Henriques Alberto Camara Ballesteros Kees Burger Martijn g.Kersloot Friederike Ehrhart Esther van Enckevort chris T.Evelo Alasdair J.g.gray Marc Hanauer Kristina Hettne Joep de Ligt Arnaldo Pereira Nuria Queralt-Rosinach Erik Schultes Domenica Taruscio Andra Waagmeester Mark D.Wilkinson Egon L.Willighagen Mascha Jansen Barend Mons Marco Roos Annika Jacobsen Biosemantics group Department of Human GeneticsLeiden University Medical CentreLeidenThe Netherlands NIHR Academic Fellow in general Practice University College London and The Royal Free NHS Foundation Trust National Centre for Rare Diseases Istituto Superiore di SanitaRomeItaly department of Medical Informatics Amsterdam UMC location University of AmsterdamMeibergdreef 9AmsterdamThe Netherlands Amsterdam Public Health Methodology&Digital HealthAmsterdamThe Netherlands Health-Rl UtrechtThe Netherlands Semantics Services and Cybersecurity groupUniversity of TwenteEnschedeThe Netherlands department of Medical Imaging Radboud Institute for Health SciencesRadboud University Medical CenterNijmegenThe Netherlands department of Medical BioSciences Radboud University Medical CenterNijmegenThe Netherlands The Duchenne Parent Project VeneendaalThe Netherlands departamento de Biotecnologia-Biologia Vegetal Escuela Tecnica Superior de Ingenieria AgronomicaAlimentaria y de BiosistemasCentro de Biotecnologia y Genomica de PlantasUniversidad Politecnica de Madrid(UPM)-Instituto Nacional de Investigacion y Tecnologia Agraria y Alimentaria-CSIC(INIA-CSIC).Campus MontegancedoPozuelo de Alarcon(Madrid)Spain Castor AmsterdamThe Netherlands department of Bioinformatics-BigCaT Maastricht UniversityMaastrichtThe Netherlands University Medical Center groningen University of GroningenGroningenThe Netherlands Maastricht Centre for Systems Biology(MaCSBio) Maastricht UniversityMaastrichtThe Netherlands department of Computer Science Heriot-Watt UniversityEdinburghUK INSERM US14-OrphanetPlateforme Maladies RaresParisFrance Centre for Digital Scholarship Leiden University LibrariesThe Netherlands Center for Molecular Medicine Cancer Genomics NetherlandsDepartment of GeneticsUniversity Medical Center UtrechtUniversity UtrechtThe Netherlands University of Aveiro DETI/IEETAAveiroPortugal gO FAIR Foundation LeidenThe Netherlands The Leiden Academic Center for Drug Research LeidenThe Netherlands Micel

Since 2014,"Bring Your Own Data"workshops(BYODs)have been organised to inform people about the process and benefits of making resources Findable,Accessible,Interoperable,and Reusable(FAIR,and the FAIRification process).The BYOD workshops'content and format differ depending on their goal,context,and the background and needs of ***-focused BYODs educate domain experts on how to make their data FAIR to find new answers to research ***-focused BYODs promote the benefits of making data FAIR and instruct project managers and policy-makers on the characteristics of FAIRification ***-focused BYODs gather software developers and experts on FAIR to implement or improve software resources that are used to support ***,these BYODs intend to foster collaboration between different types of stakeholders involved in data management,curation,and reuse(*** experts,trainers,developers,data owners,data analysts,FAIR experts).The BYODs also serve as an opportunity to learn what kind of support for FAIRification is needed from different communities and to develop teaching materials based on practical examples and *** this paper,we detail the three different structures of the BYODs and describe examples of early BYODs related to plant breeding data,and rare disease registries and biobanks,which have shaped the structure of the *** discuss the latest insights into making BYODs more productive by leveraging our almost ten years of training experience in these workshops,including successes and encountered ***,we examine how the participants'feedback has motivated the research on FAIR,including the development of workflows and software.

关键词： FAIR FAIRification FAIR expertise Bring Your Own Data Workshop BYOD

Finite-size correction for slab supercell calculations of materials with spontaneous polarization

在线全文

学校读者我要写书评

暂无评论

npj Computational Materials 2021年第1期7卷 520-528页

作者： Su-Hyun Yoo Mira Todorova Darshana Wickramaratne Leigh Weston chris gvan de walle Jörg Neugebauer department of Computational Materials design Max-Planck-Institut für Eisenforschung GmbHDüsseldorfGermany Materials department University of California Santa BarbaraSanta BarbaraCAUSA Center for Computational Materials Science US Naval Research LaboratoryWashingtonDCUSA

The repeated slab approach has become a de facto standard to accurately describe surface properties of materials by density functional theory calculations with periodic boundary *** materials exhibiting spontaneous polarization,we show that the conventional scheme of passivation with pseudo hydrogen is unable to realize a charge-neutral *** presence of a net surface charge induces via gauss’s law a macroscopic electric field through the slab and results in poor size convergence with respect to the thickness of the *** propose a modified passivation method that accounts for the effect of spontaneous polarization,describes the correct bulk limits and boosts convergence with respect to slab *** robustness,reliability,and superior convergence of energetics and electronic structure achieved by the proposed method are demonstrated using the example of polar ZnO surfaces.

关键词： surface convergence size

Nitrate reduction capacity of the oral microbiota is impaired in periodontitis:potential implications for systemic nitric oxide availability

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

International Journal of Oral Science 2024年第1期16卷 52-61页

作者： Bob T.Rosier William Johnston Miguel Carda-Diéguez Annabel Simpson Elena Cabello-Yeves Krystyna Piela Robert Reilly Alejandro Artacho chris Easton Mia Burleigh Shauna Culshaw Alex Mira department of genomics and Health FISABIO FoundationCenter for Advanced Research in Public HealthValenciaSpain department of Biological and Biomedical Sciences Glasgow Caledonian UniversityGlasgowUK Oral Sciences University of Glasgow Dental SchoolSchool of MedicineDentistry and NursingCollege of MedicalVeterinary and Life SciencesUniversity of GlasgowGlasgowUK Sport and Physical Activity Research Institute University of the West of ScotlandBlantyreScotland Instituto de Biomedicina de Valencia Consejo Superior de Investigaciones Científicas(IBV-CSIC)ValenciaSpain CIBER Center for Epidemiology and Public Health MadridSpain

The reduction of nitrate to nitrite by the oral microbiota has been proposed to be important for oral health and results in nitric oxide formation that can improve cardiometabolic conditions. Studies of bacterial composition in subgingival plaque suggest that nitrate-reducing bacteria are associated with periodontal health, but the impact of periodontitis on nitrate-reducing capacity(NRC)and, therefore, nitric oxide availability has not been evaluated. The current study aimed to evaluate how periodontitis affects the NRC of the oral microbiota. First, 16S rRNA sequencing data from five different countries were analyzed, revealing that nitratereducing bacteria were significantly lower in subgingival plaque of periodontitis patients compared with healthy individuals(P gingival plaque, saliva, and plasma samples were obtained from 42 periodontitis patients before and after periodontal treatment. The oral NRC was determined in vitro by incubating saliva with 8 mmol/L nitrate(a concentration found in saliva after nitrate-rich vegetable intake) and compared with the NRC of 15healthy individuals. Salivary NRC was found to be diminished in periodontal patients before treatment(P gingival levels of nitrate-reducing bacteria increased after treatment and correlated negatively with periodontitis-associated bacteria(P gnificant effect of periodontal treatment on the baseline saliva and plasma nitrate and nitrite levels was found, indicating that differences in the NRC may only be revealed after nitrate intake. Our results suggest that an impaired NRC in periodontitis could limit dietary nitrate-derived nitric oxide levels, and the effect on systemic health should be explored in future studies.

关键词： impaired intake nitrate

A power-law-based approach to mapping COVID-19 cases in the United States

在线全文

学校读者我要写书评

暂无评论

geo-Spatial Information Science 2021年第3期24卷 333-339页

作者： Bin Jiang chris de Rijke Faculty of Engineering and Sustainable development Division of GIScienceUniversity of GävleGävle80176Sweden

This paper examines the spatial and temporal distribution of all COVID-19 cases from January to June 2020 against the underlying distribution of population in the United *** is found that,as time passes,COVID-19 cases become a power law with cutoff,resembling the underlying spatial distribution of *** power law implies that many states and counties have a low number of cases,while only a few highly populated states and counties have a high number of *** further differentiate patterns between the underlying populations and COVID-19 cases,we derived their inherent hierarchy or spatial heterogeneity characterized by the *** found that the ht-index of COVID-19 cases persistently approaches that of the populations;that is,5 and 7 at the state and county levels,*** the ht-index of COVID-19 cases against that of populations shows that the pandemic is largely shaped by the underlying population with the R-square value between infection and population up to 0.82.

关键词： Power laws head/tail breaks hierarchy spatial heterogeneity ht-index

Changes of the glutathione redox system during the weaning transition in piglets, in relation to small intestinal morphology and barrier function

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Journal of Animal Science and Biotechnology 2020年第4期11卷 993-1008页

作者： Jeroen degroote Hans Vergauwen Wei Wang chris van ginneken Stefaan de Smet Joris Michiels Laboratory for Animal Nutrition and Animal Product Quality(LANUPRO) Department of Animal Sciences and Aquatic EcologyFaculty of Bioscience EngineeringGhent UniversityBlock FCampus CoupureCoupure Links 6539000 GhentBelgium Laboratory of Applied Veterinary Morphology Department of Veterinary SciencesFaculty of BiomedicalPharmaceutical and Veterinary SciencesUniversity of AntwerpUniversiteitsplein 1WilrijkBelgium.

Background: Weaning is known to result in barrier dysfunction and villus atrophy in the immediate post-weaning phase, and the magnitude of these responses is hypothesized to correlate with changes in the glutathione(gSH)redox system. Therefore, these parameters were simultaneously measured throughout the weaning phase, in piglets differing in birth weight category and weaning age, as these pre-weaning factors are important determinants for the weaning transition. Low birth weight(LBW) and normal birth weight(NBW) littermates were assigned to one of three weaning treatments;i.e. weaning at 3 weeks of age(3 w), weaning at 4 weeks of age(4 w) and removal from the sow at 3 d of age and fed a milk replacer until weaning at 3 weeks of age(3 d3 w). For each of these treatments, six LBW and six NBW piglets were euthanized at 0, 2, 5, 12 or 28 d post-weaning piglets, adding up 180 ***: Weaning increased the glutathione peroxidase activity on d 5 post-weaning in plasma, and duodenal and jejunal mucosa. Small intestinal glutathione-S-transferase activity gradually increased until d 12 post-weaning, and this was combined with a progressive rise of mucosal gSH up till d 12 post-weaning. Oxidation of the gSH redox status(gSH/gSSg Eh) was only observed in the small intestinal mucosa of 3 d3 w weaned piglets at d 5 postweaning. These piglets also demonstrated increased fluorescein isothiocyanate dextran(FD4) and horseradish peroxidase fluxes in the duodenum and distal jejunum during the experiment, and specifically demonstrated increased FD4 fluxes at d 2 to d 5 post-weaning. On the other hand, profound villus atrophy was observed during the weaning transition for all weaning treatments. Finally, LBW and NBW piglets did not demonstrate notable differences in gSH redox status, small intestinal barrier function and histo-morphology throughout the ***: Although moderate changes in the gSH redox system were observed upon weaning, the gSH redox status remai

关键词： Barrier function glutathione Oxidative stress Redox status Small intestine Weaned piglet

Efficacy of thioguanine treatment in inflammatory bowel disease: A systematic review

在线全文

学校读者我要写书评

暂无评论

World Journal of gastroenterology 2016年第40期22卷 9012-9021页

作者： Berrie Meijer chris JJ Mulder godefridus J Peters Adriaan A van Bodegraven Nanne KH de Boer department of gastroenterology and Hepatology VU University Medical Center department of Medical Oncology VU University Medical Center department of gastroenterology Geriatrics Internal and Intensive Care Medicine (Co-MIK) Zuyderland Medical Center

AIM To critically assess the available literature regarding the efficacy of thioguanine treatment in inflammatory bowel disease(IBD) patients, irrespective of the(hepato-) toxicity *** A systematic literature search of the MEDLINE database using Pub Med was performed using the keywords "thioguanine", "6-Tg", "thioguanine", "inflammatory bowel disease", "IBD", "Crohn's disease", "Ulcerative colitis" and "effectiveness" in order to identify relevant articles published in English starting from 2000. Reference lists of the included articles were crosschecked for missing articles. Reviewed manuscripts concerning the effectiveness of thioguanine treatment in IBD were reviewed by the authors and the data were extracted. Data were subsequently analyzed with descriptive statistics. Due to the lack of standardized outcomes, a formal meta-analysis was not *** A total of 11 applicable studies were found that involved the effectiveness of thioguanine therapy in IBD. Eight studies were conducted in a prospectivemanner, in the remaining three studies, data was collected retrospectively. In total, 353 IBD-patients(225 patients with Crohn's disease, 119 with ulcerative colitis and nine with unclassified IBD) with prior azathioprine/mercaptopurine resistance and/or intolerance(n = 321) or de novo thioguanine administration(n = 32) were included for analysis, of which 228(65%) had clinical improvement on thioguanine therapy, based on standard IBD questionnaires, biochemical parameters or global physician assessments. Short-term results were based on 268 treatment years(median follow-up 9 mo, range 3-22 mo) with a median daily dose of 20 mg(range 10-80 mg). Discontinuation, mostly due to adverse events, was reported in 72 patients(20%). CONCLUSION The efficacy of thioguanine therapy in IBD patients intolerant to conventional thiopurine therapy is observed in 65%, with short term adverse events in 20% of patients.

关键词： Thiopurines Thioguanine Inflammatory bowel disease Crohn’s disease Ulcerative colitis

Artificial rearing influences the morphology,permeability and redox state of the gastrointestinal tract of low and normal birth weight piglets

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Journal of Animal Science and Biotechnology 2017年第3期8卷 707-720页

作者： Hans Vergauwen Jeroen degroote Sara Prims Wei Wang Erik Fransen Stefaan de Smet christophe Casteleyn Steven van Cruchten Joris Michiels chris van ginneken Laboratory of Applied Veterinary Morphology Department of Veterinary SciencesFaculty of BiomedicalPharmaceutical and Veterinary SciencesUniversity of AntwerpCampus Drie EikenUniversiteitsplein 1D.U0152610 WilrijkBelgium department of Applied Biosciences Faculty of Bioscience EngineeringGhent UniversityGhentBelgium Laboratory for Animal Nutrition and Animal Product Quality(LANUPRO) Department of Animal ProductionFaculty of Bioscience EngineeringGhent UniversityMelleBelgium StatUa Center for Statistics University of AntwerpAntwerpBelgium

Background： In this study the physiological implications of artificial rearing were investigated. Low（LBW） and normal birth weight（NBW） piglets were compared as they might react differently to stressors caused by artificial rearing. In total, 42 pairs of LBW and NBW piglets from 16 litters suckled the sow until d19 of age or were artificially reared starting at d3 until d19 of age. Blood and tissue samples that were collected after euthanasia at 0, 3, 5, 8 and 19 d of age. Histology, ELISA, and Ussing chamber analysis were used to study proximal and distal small intestine histomorphology, proliferation, apoptosis, tight junction protein expression, and permeability. Furthermore, small intestine,liver and systemic redox parameters（gSH, gSSg, gSH-Px and MDA） were investigated using ***： LBW and NBW artificially reared piglets weighed respectively 40 and 33% more than LBW and NBW sowreared piglets at d19（P 〈 0.01）. Transferring piglets to a nursery at d3 resulted in villus atrophy, increased intestinal FD-4 and HRP permeability and elevated gSSg/gSH ratio in the distal small intestine at d5（P 〈 0.05）. gSH concentrations in the proximal small intestine remained stable, while they decreased in the liver（P 〈 0.05）. From d5 until d19, villus width and crypt depth increased, whereas PCNA, caspase-3, occludin and claudin-3 protein expressions were reduced. gSH,gSSg and permeability recovered in artificially reared piglets（P 〈 0.05）.Conclusion： The results suggest that artificial rearing altered the morphology, permeability and redox state without compromising piglet performance. The observed effects were not depending on birth weight.

关键词： Milk replacer Oxidative stress Small intestine Suckling period Tight junction proteins

Transition Modelling with the k-Ω Turbulence Model and an Intermittency Transport Equation

在线全文

学校读者我要写书评

暂无评论

Journal of Thermal Science 2004年第3期13卷 220-225页

作者： Koen LOdeFIER Bart MERCI chris de LANgHE Erik DICK ghent University Dept. of Flow Heat and Combustion Mechanics Sint-Pietersnieuwstraat 41 B-9000 Gent BelgiumGhent University Dept. of Flow Heat and Combustion Mechanics Sint-Pietersnieuwstraat 41 B-9000 Gent BelgiumGhent University Dept. of Flow Heat and Combustion Mechanics Sint-Pietersnieuwstraat 41 B-9000 Gent BelgiumGhent University Dept. of Flow Heat and Combustion Mechanics Sint-Pietersnieuwstraat 41 B-9000 Gent Belgium

In gas turbine engines, laminar-turbulent transition occurs. However, generally, the turbulence models to describe such transition results in too early and too short transition. Combining a turbulence model with a description of intermittency, i.e. the fraction of time the flow is turbulent during the transition phase, can improve it. By letting grow the intermittency from zero to unity, start and evolution of transition can be imposed. In this paper, a method where a dynamic equation of intermittency combining with a two-equation k-ωturbulence model is described. This intermittency factor is a premultiplicator of the turbulent viscosity computed by the turbulence model. Following a suggestion by Menter et al.[1], the start of transition is computed based on local variables.

关键词： bypass transition intermittency SST turbulence model.