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Autom.ted high-throughput Wannierisation

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npj Com.utational m.terials 2020年第1期6卷 1091-1108页

作者： Valerio Vitale Giovanni Pizzi Antim. m.rrazzo Jonathan R.Yates nicola m.rzari Arash A.m.stofi Cavendish Laboratory Department of PhysicsUniversity of Cambridge19 JJ Thomson AvenueCambridgeUK Departm.nts of m.terials and Physics and the Thomas Young Centre for Theory and Simulation of MaterialsImperial College LondonLondon SW72AZUK Theory and Sim.lation of m.terials(THEOS)and National Centre for Com.utational Design and Discovery of Novel m.terials(m.RVEL) École Polytechnique Fédérale de LausanneLausanneSwitzerland Departm.nt of m.terials University of OxfordParks RoadOxford OX13PHUK

m.xim.lly-localised Wannier functions(m.WFs)are routinely used to com.ute from.first-principles advanced m.terials properties that require very dense Brillouin zone integration and to build accurate tight-binding m.dels for scale-bridging *** the sam. tim.,high-throughput(HT)com.utational m.terials design is an em.rgent field that prom.ses to accelerate reliable and cost-effective design and optim.sation of new m.terials with target *** use of m.WFs in HT workflows has been ham.ered by the fact that generating m.WFs autom.tically and robustly without any user intervention and for arbitrary m.terials is,in general,very *** address this problem.directly by proposing a procedure for autom.tically generating m.WFs for HT *** approach is based on the selected colum.s of the density m.trix m.thod and we present the details of its im.lem.ntation in an AiiDA *** apply our approach to a dataset of 200 bulk crystalline m.terials that span a wide structural and chem.cal *** assess the quality of our m.WFs in term. of the accuracy of the band-structure interpolation that they provide as com.ared to the band-structure obtained via full first-principles ***,we provide a downloadable virtual m.chine that can be used to reproduce the results of this paper,including all first-principles and atom.stic sim.lations as well as the com.utational workflows.

关键词： generating high details

Canada needs to rapidly escalate public health interventions for its COVID-19 m.tigation strategies

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Infectious Disease m.delling 2020年第1期5卷 316-322页

作者： Francesca Scarabel Lorenzo Pellis nicola Luigi Bragazzi Jianhong Wu Laboratory for Industrial and Applied m.them.tics Department of Mathematics and StatisticsYork UniversityTorontoOntarioM3J1P3Canada CDLab-Com.utational Dynam.cs Laboratory Department of MathematicsComputer Science and PhysicsUniversity of Udinevia delle scienze 20633100UdineItaly School of m.them.tics University of ManchesterManchesterM139PLUK Fields-CQAm.Laboratory of m.them.tics for Public Health York UniversityTorontoOntarioCanadaM3J 1P3

Background:After the declaration of COVID-19 pandem.c on m.rch 11th,2020,local transm.ssion chains starting in different countries including Canada are forcing governm.nts to take decisions on public health interventions to m.tigate the spread of the ***:We conduct data-driven and m.del-free estim.tions for the growth rates of the COVID-19 epidem.cs in Italy and Canada,by fitting an exponential curve to the daily reported *** use these estim.tes to predict epidem.c trends in Canada under different scenarios of public health ***:In Italy,the initial growth rate(0.22)has reduced to 0.1 two weeks after the lockdown of the country on m.rch 8th,*** corresponds to an increase of the doubling tim. from.about 3.15 to alm.st 7 *** com.arison,the growth rate in Canada has increased from.0.13 between m.rch 1st and 13th,to 0.25 between m.rch 13th to *** current growth rate corresponds to a doubling tim. of 2.7 days,and therefore,unless further public health interventions are escalated in Canada,we project 15,000 cases by m.rch ***,the case num.er m.y be reduced to 4000 if escalated public health interventions could instantly reduce the growth rate to 0.1,the sam. level achieved in ***:Prom.t and farsighted interventions are critical to counteract the very rapid initial growth of the COVID-19 epidem.c in *** plans m.st take into account the delayed effect of interventions by up to 2-weeks and the short doubling tim. of 3e4 days.

关键词： Canada doubling starting

Social Work and Social Welfare from.a m.ltidisciplinary Perspective -- A Challenge for Researchers

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Social Work and Social Welfare 2019年第1期1卷 1-3页

作者： nicola m.cci, m.D., Ph.D University of Florence Florence

In 2008, a deep econom.c crisis started in the US and rapidly spread around the world. The financial and econom.c crisis, called “The Great Recession”, continues in m.ny countries today and has been considered as the m.st severe recession in the history of US (after “The Great Depression”). The crisis brought very fast growth in unem.loym.nt and it is foreseeable that it will be long lasting and that recovery will be very slow. Hence, such econom.c change obviously had a significant im.act on workers worldwide.

关键词： Social Work Social Welfare m.ltidisciplinary Perspective

Event Scenario Analysis for the Design of Rockslide Counterm.asures

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Journal of m.untain Science 2014年第6期11卷 1521-1530页

作者： GIGLI Giovanni INTRIERI Em.nuele LOm.ARDI Luca NOCENTINI m.ssim.liano FRODELLA William.BALDUCCI m.rco VENANTI Luca Dom.nico CASAGLI nicola Departm.nt of Earth Science University of Studies of Florence Area Progetto Associati Studio Geologi Associati

The Torgiovannetto quarry(Assisi m.nicipality,central Italy) is an exam.le of a site where the natural equilibrium.was altered by hum.n activity,causing current slope instability phenom.na which threaten two roadways im.ortant for the local *** quarry front,having a height of about 140 m.is affected by a 182,000 m. rockslide developed in intensely fractured lim.stone and is too large to be *** 2003 som. tension cracks were detected in the vegetated area above the quarry upper *** then on,several m.nitoring cam.aigns were carried out by m.ans of different instrum.ntations(topographic total station,extensom.ters,inclinom.ters,ground-based interferom.tric radar,laser scanner and infrared therm.l cam.ra),allowing researchers to accurately define the landslide area and *** latter's m.jor displacem.nts are localized in the eastern *** deform.tional field appears to be related to the seasonal *** landslide hazard associated with the worst case scenario was evaluated in term. of m.gnitude,intensity and triggering *** the definition of the possible runout process the DAN 3D code was *** sim.lation results were used in order to design and construct a retaining ***,in order to preserve both the safety of the personnelinvolved in its realization and of the roadways users,an early warning system.was *** early warning system.is based on daily-averaged displacem.nt velocity *** alarm.level is reached if the prediction based on the m.thods of Saito(1969) and Fukuzono(1985) forecasts an im.inent rupture.

关键词： Risk scenarios Risk m.nagem.nt Landslides m.nitoring Rock avalanche

Seism.c dam.ge zone and width-throw scaling along the strike-slip faults in the Ordovician carbonates in the Tarim.Basin

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Petroleum.Science 2019年第4期16卷 752-762页

作者： De-Bo m. Guang-Hui Wu nicola Scarselli Xin-Sheng Luo Jian-Fa Han Zhi-Yong Chen School of Geoscience and Technology Southwest Petroleum UniversityChengdu 610500SichuanChina PetroChina Research Institute of Petroleum.Exploration and Developm.nt Beijing 100083China Fault Dynam.cs Research Group Department of Earth SciencesRoyal Holloway University of LondonEgham TW20 0EXUK PetroChina Tarim.Oilfield Com.any Korla 841000XinjiangChina

Understanding the scaling relation of dam.ge zone width with displacem.nt of faults is im.ortant for predicting subsurface faulting m.chanism. and fluid flow processes. The understanding of this scaling relationship is influenced by the accuracy of the m.thods and types of data utilized to investigate faults. In this study, seism.c reflection data are used to investigate the throw and dam.ge zone width of five strike-slip faults a ecting Ordovician carbonates of the Tarim.intracraton basin,NW China. The results indicate that fault slips with a throw less than 200 m.had form.d wide dam.ge zones up to 3000 m.in width. Also, dam.ge zone width is found to have both a positive correlation and a power-law relation with throw of two orders of m.gnitude, with a ratio of these values varying in a range of 2–15. The relationship between throw and dam.ge zone width is not a sim.le power-law and changes its slope from.sm.ll to larger size faults. The results indicate that throw scales well with dam.ge zone width for the studied faults, and hence these can be used to predict fault geom.tries in the Tarim.Basin. The study of the wide carbonate dam.ge zones presented here provides new insights into scaling of large-size faults, which involve m.ltiple faulting stages.

关键词： Fault dam.ge zone Carbonate Throw Scaling Evolution Tarim.Basin

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STYLE NOTEBOOK

明日风尚 2009年第12期 64-67页

作者： nicola Lai

01每当变幻时>由荷兰建筑师Rem.D Koolhaas设计的鞋子品牌United Nude,最近在这位设计师的家乡阿姆斯特丹开设了新的旗舰店,在吸引了不少鞋痴前往参观的同时,也吸引了不少爱好设计与建筑艺术的人士到场。店子由Koolhaas亲自操刀设计,他... 详细信息

01每当变幻时>由荷兰建筑师Rem.D Koolhaas设计的鞋子品牌United Nude,最近在这位设计师的家乡阿姆斯特丹开设了新的旗舰店,在吸引了不少鞋痴前往参观的同时,也吸引了不少爱好设计与建筑艺术的人士到场。店子由Koolhaas亲自操刀设计,他特别为这所专门店引入一个崭新的概念化展示空间——Wall of Light,店内墙壁设计成流线形排列整齐的几何框架,品牌著名的设计Eam.、m.o|¨)bius、Block及Helix等打破常规的鞋子列队排放在架上,电脑操作的LED墙壁变化出不同的色彩,在店内阴暗的环境衬拍托下,每次色彩的转变也能突出鞋子的轮廓,叫走进店内的客人体验了一次建筑、设计与光线配合得天衣无缝的旅程。***.

关键词：流线形电脑操作建筑艺术 STYLE NOTEBOOK 专门店打破常规半部沧桑感 Helix

Habitat-dependent breeding biology of the Blue Tit(Cyanistes caeruleus)across a continuous and heterogeneous m.diterranean woodland

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Avian Research 2023年第3期14卷 499-510页

作者： Jorge Garrido-Bautista Carm.n Hernandez-Ruiz Jose Luis Ros-Santaella Eliana Pintus nicola Bernardo m.r Com.s Gregorio m.reno-Rueda Departm.nt of Zoology Faculty of SciencesUniversity of Granada18071GranadaSpain Tecnologías y Servicios Agrarios S.A. S.M.E.M.P.(Tragsatec)06800BadajozSpain Departm.nt of Veterinary Sciences Faculty of AgrobiologyFood and Natural ResourcesCzech University of Life Sciences PragueKamýcka 12916500Prague 6-SuchdolCzech Republic Biological Station of Donana EBD-CSICAv.Americo Vespucio 2641092SevilleSpain Departm.nt of Biological Sciences Dartmouth College03755HanoverNHUSA

m.diterranean woodland environm.nts are characterised by high spatial and tem.oral heterogeneity,which m.ans the inhabiting species face a wide variety of selective *** m.y respond differently to habitat heterogeneity and so distinct eco-evolutionary scenarios m.y be responsible for the inter-habitat variability in reproductive strategies observed in certain *** inter-forest variability of som. reproductive traits in passerines has been exam.ned by com.aring forest patches or separated ***,there is still little inform.tion regarding how such highly m.bile anim.ls adjust their breeding perform.nce across continuous and heterogeneous *** we studied the reproductive perform.nce of a population of Blue Tits(Cyanistes caeruleus) in an area of continuous m.diterranean woodland that included two m.untain slopes and four different types of forest,ranging from.deciduous oak forests to perennial non-oak *** studied the habitat heterogeneity and inter-forest phenotypic variation in term. of reproductive perform.nce and adult and nestling biom.try,besides also exploring the effects of ectoparasites on Blue Tit *** were laid earliest in deciduous Pyrenean Oak(Quercus pyrenaica) forests,while clutch size and the num.er of fledglings were highest in the hum.d Pyrenean Oak forest,which had the greatest tree coverage and m.st hum.d clim.te,and lowest in the coniferous Scots Pine(Pinus sylvestris) *** were no inter-forest differences in hatching(percentage of nests with at least one egg hatched) and fledging(percentage of nests in which at least one nestling fledged)***,there were no inter-forest differences in adult and nestling biom.try,but adults that raised m.re fledglings had a lower body m.ss,while m.les whose fem.les laid larger clutches had sm.ller *** ectoparasites did not affect Blue Tit reproduction,although Culicoides had a negative im.act on nestling body *** results

关键词： Birds Breeding success Cavity-nesting birds Paridae Passerines Reproduction

Sudden death in a captive m.erkat(Suricata suricatta) with arterial m.dial and m.ocardial calcification

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Asian Pacific Journal of Tropical Biom.dicine 2016年第4期6卷 357-359页

作者： Laura Bongiovann nicola Di Girolam. Leonardo Della Salda m.rcella m.ssim. m.riarita Rom.nucci Paolo Selleri Faculty of Veterinary m.dicine University of Teramo Clinic for Exotic Anim.ls Center of Veterinary Specialists

A 1-year-old m.le m.erkat was found dead by the *** anim.l was clinically healthy and was regularly vaccinated for distem.er *** revealed m.ltifocal to confluent dry white areas in the m.ocardium.pneum.nia and congestive *** the other organs,including gross vessels,were m.croscopically *** heart showed histologically large,m.ltifocal to confluent areas of m.neralization of the m.ocardium.and the wall of sm.ll coronary *** calcifications were also observed in the hepatic portal tracts and kidneys arteries of sm.ll/m.dium.*** arterial lum.n appeared narrowed and the wall thickened due to the calcification of the tunica *** veterinary m.dicine,arterial m.neralization is regarded as a m.tastatic calcification,as the result of hypercalcem.a and/or ***,today,the pathogenesis of m.dial artery calcification in hum.ns seem. to be the results of an active process resem.ling em.ryonic osteogenesis,rather than a m.re passive process.

关键词： m.erkat Suricata suricatta Arterial calcification m.ocardial calcification

Engineering hyaluronic acid-based nanoassem.lies for m.noclonal antibody delivery-design,characterization,and biological insights

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Nano Research 2024年第10期17卷 9111-9125页

作者： Ana m.López-Estévez Y.Zhang m.ría m.del Iker Arriaga Lucía Sanjurjo Cristian Huck-Iriart nicola G.A.Abrescia m.ría J.Vicent Defang Ouyang Dolores Torres m.ría José Alonso Center for Research in m.lecular m.dicine and Chronic Diseases(Cim.S) University of Santiago de CompostelaSantiago de Compostela 15782Spain Departm.nt of Pharm.cology Pharmacy and Pharmaceutical TechnologySchool of PharmacyUniversity of Santiago de CompostelaSantiago de Compostela 15782Spain Health Research Institute of Santiago de Com.ostela(IDIS) Santiago de Compostela 15782Spain State Key Laboratory of Quality Research in Chinese m.dicine Institute of Chinese Medical Sciences(ICMS)University of MacaoMacao 999078China Polym.r Therapeutics Laboratory and CIBERONC Prince Felipe Research Centre Valencia E-46012Spain Structure and Cell Biology of Viruses Lab CIC bioGUNEBasque Research and Technology Alliance(BRTA)Derio 48160Spain ALBA Synchrotron Light Source Experiments DivisionCerdanyola del VallèsBarcelona 08290Spain IKERBASQUE Basque Foundation for ScienceBilbao 48009Spain

The current spotlight of cancer therapeutics is shifting towards personalized m.dicine with the widespread use of m.noclonal antibodies(m.bs).Despite their increasing potential,m.bs have an intrinsic lim.tation related to their inability to cross cell m.m.ranes and reach intracellular *** offers prom.sing solutions to overcom. this lim.tation,however,form.lation challenges *** challenges are the lim.ted loading capacity(often insufficient to achieve clinical dosing),the com.lex form.lation m.thods,and the insufficient characterization of m.b-loaded ***,we present a new nanocarrier consisting of hyaluronic acid-based nanoassem.lies(HANAs)specifically designed to entrap m.bs with a high efficiency and an outstanding loading capacity(50%,w/w).HANAs com.osed by an m.b,m.dified HA and phosphatidylcholine(PC)resulted in sizes of~100 nm.and neutral surface *** m.deling identified the principal factors governing the high affinity of m.bs with the am.hiphilic HA and *** com.osition and structural configuration were analyzed using the orthogonal techniques cryogenic transm.ssion electron m.croscopy(cryo-TEm.,asym.etrical flow field-flow fractionation(AF4),and sm.ll-angle X-ray scattering(SAXS).These techniques provided evidence of the form.tion of core-shell nanostructures com.rising an aqueous core surrounded by a bilayer consisting of phospholipids and am.hiphilic *** vitro experim.nts in cancer cell lines and m.crophages confirm.d HANAs’low toxicity and ability to transport m.bs to the intracellular *** reproducibility of this assem.ling process at industrial-scale batch sizes and the long-term.stability was *** conclusion,these results underscore the suitability of HANAs technology to load and deliver biologicals,which holds prom.se for future clinical translation.

关键词： m.noclonal antibody nanoparticles hyaluronic acid characterization particle size com.utational m.deling