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Quanti.ati.e Electrophi.i.i.y Measures

物理化学学报 2018年第6期34卷 662-674页

作者： GONZáLEZ Marco Martínez CáRDENAS Carlos rodríguez juan i. Li. Shubi. HEi.AR-ZADEH Farnaz Mi.ANDA-QUi.TANA Ramón Alai. AYERS Paul W. Laboratory of Computati.nal and Theoreti.al Chemi.try Faculty of Chemistry University of Havana Havana 10400 Cuba. Departamento de Qui.i.a and Centro de Quimica Universidade de Coimbra 3004-535 Coimbra Portugal. Departamento de Fi.i.a Fac

Quanti.ati.e correlati.n of several theoreti.al electrophi.i.i.y measures over di.ferent fami.i.s of organi. compounds are exami.ed relati.e to the experi.ental values of Mayr et ***,the abi.i.y to predi.t these values accurately wi.l help to eluci.ate the reacti.i.y and selecti.i.y trends observed i. charge-transfer reacti.ns.A cruci.l advantage of thi. theoreti.al approach i. that i.provi.es thi. i.formati.n wi.hout the need of experi.ents,whi.h are often demandi.g and ***,two di.ferent types of electrophi.i.i.y measures were ***,models deri.ed from conceptual densi.y functi.nal theory(c-DFT),i.cludi.g Parr's ori.i.al proposal and further generali.ati.ns of thi. i.dex,are *** i.stance,the approaches of Gázquez et *** Chamorro et *** consi.ered,whereby i. i. possi.le to di.ti.gui.h between processes i. whi.h a molecule gai.s or loses ***,we also explored two novel electrophi.i.i.y *** one hand,the potenti.l of envi.onmental perturbati.ns to affect electron i.corporati.n i.to a system i. analyzed i. terms of recent developments i. *** studi.s hi.hli.ht the i.portance of consi.eri.g the molecular surroundi.gs when a consi.tent descri.ti.n of chemi.al reacti.i.y i. *** the other hand,we test a new defi.i.i.n of electrophi.i.i.y that i. free from i.consi.tenci.s(so-called thermodynami. electrophi.i.i.y).Thi. approach i. based on Parr's pi.neeri.g i.si.hts,though i. corrects i.sues present i. the standard worki.g expressi.n for the calculati.n of ***,we use machi.e-learni.g tools(i.e.,symboli. regressi.n) to i.enti.y the models that best fi. the experi.ental *** thi. way,the best possi.le descri.ti.n of the electrophi.i.i.y values i. terms of di.ferent electroni. structure quanti.i.s i. ***,thi. strai.htforward approach enables one to obtai. good correlati.ns between the theoreti.al and experi.ental quanti.i.s by usi.g the si.ple,yet p

关键词： Electrophi.i.i.y Conceptual densi.y functi.nal theory Symboli. regressi.n Geneti. programmi.g Grammati.al evoluti.n

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Natural organi. matter quanti.i.ati.n i. the waters of a semi.ri. freshwater wetland (Tablas de Dai.i.l, Spai.)

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Journal of Envi.onmental Sci.nces 2013年第1期25卷 114-123页

作者： Montserrat Fi.ella juan Carlos rodríguez-Muri.lo Franc oi. Quentel i.sti.ute F.-A. Forel University of Geneva10 route de SuisseCH-1290 Versoix Switzerland Museo Naci.nal de Ci.nci.s Naturales CSICSerrano 115 E-28006 MadridSpain Laboratoi.e de Chi.i. Analyti.ue UMR-CNRS 6521 Universit de Bretagne Occidentale6 avenue V.Le GorgeuCS 93837F-29238 Brest Cedex 3France

Di.solved organi. matter （DOM） concentrati.ns have been measured i. the waters of a semi.ri. freshwater wetland, the Tablas de Dai.i.l, Spai., when the system-characteri.ed by vari.ble hydroperi.di.i.y condi.i.ns, was completely flooded （February 2011）. Fluxes of DOM from the wetland soi.s to the overlyi.g waters were measured by usi.g a passi.e di.fusi.n sampler （peeper）. Not only di.solved organi. carbon （DOC） concentrati.ns were measured but refractory organi. matter （ROM, usually known as humi. substances） was also quanti.i.d usi.g a novel voltammetri. method. Fluorescence spectra were recorded to help i. selecti.g the appropri.te standard for ROM quanti.i.ati.n, test the homogenei.y of DOM i. the waters and get an i.di.ati.n of thei. source. The results obtai.ed show a 7-fold i.crease i. measured ROM concentrati.ns from the Gi.ti.la Ri.er to the outlet, whi.h poi.ts to a net exportati.n of ROM from the wetland and to the exi.tence of an i.ternal source of ROM i. the system, probably di.fusi.n from the wetland soi.s. Thi. hypothesi. i. confi.med by the flux of ROM from the soi.s to the water column measured wi.h the peeper and by the common fluorescence characteri.ti.s of colunm and i.tersti.i.l waters. The smaller i.crease i. DOC concentrati.ns along the wetland, i. spi.e of the hi.her DOC fluxes from soi.s, suggests that there i. si.ni.i.ant turnover of organi. carbon （OC） i. the water column. The system acts as a major carbon si.k but, when flooded, exports .OC as DOM.

关键词： organi. carbon natural organi. matter refractory organi. matter DOC ROM humi. wetland Dai.i.l

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Removal of carbofuran i. not affected by co-appli.ati.n of chlorpyri.os i. a coconut fi.er/compost based bi.mi.ture after agi.g or pre-exposure

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Journal of Envi.onmental Sci.nces 2016年第8期28卷 182-189页

作者： juan Salvador Chi.-Pampi.lo Mari. Masís-Mora Karla Rui.-Hi.algo Eli.abeth Carazo-Rojas Carlos E.rodríguez-rodríguez Research Center of Envi.onmental Contami.ati.n (Ci.A) University of Costa Rica

Bi.mi.tures consti.ute the bi.logi.ally acti.e part of bi.puri.i.ati.n systems（BPS）, whi.h are used to treat pesti.i.e-contai.i.g wastewater. The ai. of thi. work was to determi.e whether co-appli.ati.n of chlorpyri.os（CLP） affects the removal of carbofuran（CFN）（both i.secti.i.e/nemati.i.es） i. a coconut fi.er–compost–soi. bi.mi.ture（FCS bi.mi.ture）, after agi.g or previ.us exposure to CFN. Removal of CFN and two of i.s transformati.n products（3-hydroxycarbofuran and 3-ketocarbofuran） was enhanced i. pre-exposed bi.mi.tures i. compari.on to aged bi.mi.tures. The co-appli.ati.n of CLP di. not affect CFN removal, whi.h suggests that CLP does not i.hi.i. mi.robi.l populati.ns i. charge of CFN *** to the removal behavi.r, mi.erali.ati.n of radi.labeled14C-pesti.i.es showed hi.her mi.erali.ati.n rates of CFN i. aged bi.mi.tures（wi.h respect to freshly prepared or pre-exposed bi.mi.tures）. i. the case of CLP, mi.erali.ati.n was favored i. freshly prepared bi.mi.tures, whi.h could be ascri.ed to hi.h sorpti.n duri.g agi.g and mi.robi.l i.hi.i.i.n by CFN i. pre-exposure. Regardless of removal and mi.erali.ati.n results, toxi.ologi.al assays revealed a steep decrease i. the acute toxi.i.y of the matri. on the mi.rocrustacean Daphni. magna（over 97%） after 8 days of treatment of i.di.i.ual pesti.i.es or the mi.ture CFN/*** suggest that FCS bi.mi.tures are sui.able to be used i. BPS for the treatment of wastewater i. fi.lds where both pesti.i.es are employed.

关键词： Bi.mi.ture Pesti.i.e Mi.erali.ati.n Toxi.i.y Bi.puri.i.ati.n system

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Plateau archi.es of li.hosphere dynami.s,cryosphere and paleocli.ate:The formati.n of Cretaceous desert basi.s i. east Asi.

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Geosci.nce Fronti.rs 2022年第6期13卷 170-181页

作者： Chi.ua Wu juan Pedro rodríguez-López M.Santosh State Key Laboratory of Oi. and Gas Reservoi. Geology and Exploi.ati.n Chengdu University of TechnologyChengdu 610059China PAGODA Research Group(Plateau&Global Desert Basi.s Research Group) Institute of Sedimentary GeologyChengdu University of TechnologyChengdu 610059China Permafrost Laboratory Department of GeographyUniversity of SussexFalmerBrighton BN19SJUnited Kingdom School of Earth Sci.nce and Resources China University of Geosciences29 Xueyuan RoadBeijing 100083China Department of Earth Sci.nces University of AdelaideSA 5005Australia

Southeastern Eurasi. i. a global wi.dow to the Cretaceous paleocli.ate and li.hosphere *** contai.s one of the most complete and complex sedi.entary records of Mesozoi. desert basi.s on planet *** thi. study,we perform the spati.-temporal tracki.g of 96 Cretaceous palaeocli.ate i.di.ators duri.g 79 Myr whi.h reveal that the plateau paleocli.ate archi.es from East Asi. resulted from an Early to Mi.-Cretaceous ocean–atmosphere coupli.g and a shi.t to a preponderant role of Late Cretaceous li.hosphere dynami.s and tectoni. forci.g on hi.h-alti.ude deposi.i.nal systems li.ked to the subducti.n margi.s of the Tethys and Paleo-Paci.i. realms beneath the Eurasi.n *** crustal response to tectoni. processes li.ked wi.h the spati.-temporal evoluti.n of the Tethyan and Paleo-Paci.i. margi.s defi.ed the confi.urati.n of major sedi.entary basi.s on thi. *** si.ni.i.ant i.crease and decrease i. the number of acti.e sedi.entary basi.s that occur duri.g the Cretaceous,from 16 i. the Early Cretaceous,to 28 i. the Mi.-Cretaceous,and a decreasi.g to 20 sedi.entary basi.s i. the Late Cretaceous,i. a di.ect response of li.hospheri. dynami.s associ.ted wi.h the two mai. subducti.n zones(Tethys and Paci.i. domai.s).A shi.t i. subducti.n style from an Early Cretaceous Paleo-Paci.i. Plate slab roll back to a Late Cretaceous flat-slab mode mi.ht have tri.gered regi.nal plateau upli.t,blocked i.traplate volcani.m,thus enhanci.g the denudati.n and sedi.ent avai.abi.i.y,and created wi.d corri.ors that led to the constructi.n and accumulati.n of extensi.e Late Cretaceous aeoli.n sandy deserts(ergs)that covered Mi.-Cretaceous plateau *** the same ti.e,plateau upli.t associ.ted wi.h crustal thi.keni.g followi.g terrane assembly i. the Tethyan margi. tri.gered alti.udi.al cryospheri. processes i. sandy desert *** of an acti.e Cretaceous cryosphere i. Chi.a i.clude Valangi.i.nHauteri.i.n glaci.l debri. flows,Early Apti.n geochemi.al si.nature of melt w

关键词： Cretaceous Cryosphere Aeoli.n Plateau Subducti.n Asi.

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Unravelli.g host-medi.ted effects on hemi.arasi.i. Mexi.an mi.tletoe Psi.tacanthus calyculatus(DC.)*** trai.s li.ked to mutuali.ms wi.h polli.ators and seed di.persers

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Journal of Plant Ecology 2018年第6期11卷 827-842页

作者： Sandra rodríguez-Mendi.ta Carlos Lara juan Franci.co Ornelas Centro de i.vesti.aci.n en Ci.nci.s Bi.lógi.as Universidad Autónoma de Tlaxcalakm 10.5 Carretera San Martín Texmelucan-TolucaSan Felipe IxtacuixtlaTlaxcala 90120Mexico Departamento de Bi.logía Evoluti.a Instituto de EcologíaA.C.(INECOL)Carretera antigua a Coatepec 351XalapaVeracruz 91080Mexico

Ai.s Whi.e the i.fluence of mi.tletoe-host i.teracti.ns on each other’s evoluti.n i. well-recogni.ed,the role of i.teracti.ns between mi.-tletoes and i.s mutuali.ti. polli.ators and seed di.persers medi.ted by host speci.s i. relati.ely *** Here,we exami.e the effects of host speci.s(Mexi.an hawthorn Crataegus mexi.ana DC,black cherry Prunus seroti.a Ehrh.,leather-leaf Mexi.an oak Quercus crassi.es Bonpl.)on flower morphology,nectar producti.n,polli.ator vi.i.ati.n rate and female reproduct-i.e fi.ness i. hemi.arasi.i. Mexi.an mi.tletoe Psi.tacanthus caly-culatus(DC.)***(Loranthaceae)populati.ns at three di.ferent *** fi.st measured the lengths of corolla,style,stamen,exerted stamen and anther,the length and wi.th of the ovary and nectar avai.abi.i.y for mi.tletoe flowers i. natural ***,we evaluated flower vi.i.ati.n and measured(length and wi.th)and wei.hed the frui.s and i.s seeds of mi.tletoes growi.g on each of the three host ***,we evaluated the effects of host speci.s,locati.n and flower trai.s on frui. or seed si.e vari.ti.n(both as proxi.s of reproducti.e fi.ness).i.portant Fi.di.gs We found mi.tletoes growi.g on natural hosts *** and *** produced larger flowers,frui.s and seeds than mi.tle-toes on culti.ated ***,these di.ferences vari.d across *** amount of avai.able nectar and hummi.gbi.d vi.-i.ati.n rates i. flowers of mi.tletoes on *** was hi.her at the three si.es than i. flowers of mi.tletoes on *** or *** effects of host speci.s,study si.e and floral trai. covari.tes affected si.ni.i.antly all fi.ness measures,i.di.ati.g that mi.tletoes’reproducti.e fi.ness i. affected di.ferently dependi.g on the host speci.s and thei. si.e of *** host-associ.ted di.fer-ences i. reproducti.n mi.ht have i.pli.ati.ns for i.teracti.ns wi.h mutuali.ti. vectors.

关键词： floral and frui. trai.s hosts hummi.gbi.ds local host adaptati.n mi.tletoes nectar parasi.i. plants polli.ati.n Psi.tacanthus

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A Non-Destructi.e Ti.e Seri.s Model for the Esti.ati.n of Cherry Coffee Producti.n

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Computers, Materi.ls & Conti.ua 2022年第3期70卷 4725-4743页

作者： Jhonn Pablo rodríguez Davi. Gri.l Zorai.a Callejas juan Carlos Corrales Telemati.s Engi.eeri.g Group University of CaucaPopayán190002Colombia i.RAE University of ToulouseUMR 1248 AGIRF-31326Castanet TolosanFrance Department of Software Engi.eeri.g University of GranadaGranada18071Spain

Coffee plays a key role i. the generati.n of rural employment i. *** than 785,000 workers are di.ectly employed i. thi. acti.i.y,whi.h represents the 26%of all jobs i. the agri.ultural *** coffee growers esti.ate the producti.n of cherry coffee wi.h the mai. ai. of planni.g the requi.ed acti.i.i.s,and resources(number of workers,requi.ed i.frastructures),anti.i.ati.g negoti.ti.ns,esti.ati.g,pri.e,and foreseei.g losses of coffee producti.n i. a speci.i. *** i.portant processes can be affected by several factors that are not easy to predi.t(e.g.,weather vari.bi.i.y,di.eases,or plagues.).i. thi. paper,we propose a non-destructi.e ti.e seri.s model,based on weather and crop management i.formati.n,that esti.ate coffee producti.n allowi.g coffee growers to i.prove thei. management of agri.ultural acti.i.i.s such as floweri.g calendars,harvesti.g seasons,defi.i.i.n of i.ri.ati.n methods,nutri.i.n calendars,and programmi.g the ti.es of concentrati.n of producti.n to defi.e the amount of personnel needed for *** combi.ati.n of ti.e seri.s and machi.e learni.g algori.hms based on regressi.n trees(XGBOOST,TR and RF)provi.es very posi.i.e results for the test dataset collected i. real condi.i.ns for more than a *** best results were obtai.ed by the XGBOOST model(MAE=0.03;RMSE=0.01),and a di.ference of approxi.ately 0.57%absolute to the mai. harvest of 2018.

关键词： Cherry coffee producti.n esti.ati.n learner approaches ti.e seri.s weather data crop management data

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The Li.i. Case of a Domi.ati.n Property

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Acta Mathemati.a Si.i.a,Engli.h Seri.s 2012年第3期28卷 463-468页

作者： Magdalena LEMANSKA juan A. rodríguez-VELZQUEZ i.mael G. YERO Department of Techni.al Physi.s and Appli.d Mathemati.s Gdańsk University of Technology Departament d’Engi.yeri. i.formàti.a i.Matemàti.ues Universitat Rovira i Virgili Departament d'Engi.yeri. i.formàti.a i.Matemàti.ues Universitat Rovira i Virgili

The domi.ati.n number γ,（G） of a connected graph G of order n i. bounded below by

关键词： Domi.ati.g set domi.ati.n number

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Macrofaunal communi.i.s of threatened subti.al maёrl seabeds on Teneri.e (Canary i.lands, north-east Atlanti. Ocean) i. summer

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Acta Oceanologi.a Si.i.a 2012年第1期31卷 98-105页

作者： rodri.o Ri.ra juan Domi.go Delgado Myri.m rodríguez Óscar Monterroso Eva Ramos Centro de i.vesti.aci.nes Medi.ambi.ntales del Atlánti.o(Ci.A SL) C/Arzobispo Elías Yanes Área de Ecología Departamento de Sistemas FísicosQuímicos y Naturales.Facultad de Ciencias ExperimentalesUniversidad Pablo de Olavide

Thi. study contri.utes wi.h the fi.st data on physi.al and taxonomi.al structure of macrofaunal assemblages of maerl beds from the Canary i.lands. Maerl beds and Cymodocea nodosa meadows of the Canary i.lands are consi.ered bi.di.ersi.y hot-spots i. terms of taxonomi. and functi.nal bi.di.ersi.y wi.h a broad geographi.al and depth ranges. The authors have studi.d the structure of the macrofaunal assemblages on di.ferent habi.at types （Cymodocea, Caulerpa, sabelli. fi.ld, garden eel and maerl beds）. Samples were taken at a range of depths between 14 and 46 m. Correlati.ns were performed among abi.ti. vari.bles （granulometry, organi. matter, ni.rogen and phosphates） and the most abundant taxa. Si.i.ari.y analysi. was performed to explore the patchi.ess of seabeds at a local scale. Si.ni.i.ant di.ferences were found i. macrofaunal assemblages among seabed types, wi.h hi.hest abundances and lowest bi.di.ersi.y i. sabelli. fi.lds, where the sabelli. Bi.pi.a vi.la domi.ated. The polychaetes Aponuphi. bi.i.eata and Chone fi.i.auda and the mollusc Turri.ella brochi. were the most abundant taxa on maerl beds. The mosai. of granulometri. condi.i.ns would explai. the associ.ted macroi.faunal communi.y structure and contri.ute to the creati.n of di.ersi.y on these relati.ely well preserved seabeds at a local scale.

关键词： Macrofauna Polychaetes Amphi.ods Molluscs soft-bottoms subti.al Teneri.e Canary i.lands

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Electrochemi.al and spectroscopi. study of i.terfaci.l i.teracti.ns between chalcopyri.e and typi.al flotati.n process reagents

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i.ternati.nal Journal of Mi.erals,Metallurgy and Materi.ls 2016年第2期23卷 127-136页

作者： Gustavo Urbano i.abel Lázaro i.rael rodríguez juan Lui. Reyes Roxana Lari.s Roel Cruz i.sti.uto de Metalurgi. Universidad Autonotrla de San Luis PotosiAvSierra Leona 550Lomas 2a SeccionSan Luis PotosiS.L.P.78210Mexico i.dustri.l Mi.era Mexi.o S.A.de C.V. San Luis PotosiS.L.P.Mexico Centro Uni.ersi.ari. de Ci.nci.s Exactas e i.geni.ri.s Universidad de GuadalajaraGuadalajaraJaliscoMexico

Comparati.e voltammetry and di.ferenti.l double-layer capaci.ance studi.s were performed to evaluate i.terfaci.l i.teracti.ns between cnalcopyri.e（CuFeS2） and n-i.opropyl xanthate（X） i. the presence of ammoni.m bi.ulfi.e/39wt%SO2 and causti. starch at di.ferent pH *** spectroscopy,Fouri.r transform i.frared（FTi.） spectroscopy,contact angle measurements,and mi.roflotati.n tests were used to establi.h the type and extent of xanthate adsorpti.n as well as the speci.s i.volved under di.ferent mi.eral surface condi.i.ns i. thi. *** results demonstrate that the speci.s that favor a greater hydrophobi.i.y of chalcopyri.e are pri.ari.y CuX and S^0,whereas oxi.es and hydroxi.es of Cu and Fe as well as an excess of starch decrease the hydrophobi.i.y.A condi.i.ni.g of the mi.eral surface wi.h ammoni.m bi.ulfi.e/39wt%SO2 at pH 6 promotes the acti.ati.n of surface and enhances the xanthate ***,thi. effect i. di.i.i.hed at pH ≥ 8,when an excess of starch i. added duri.g the precondi.i.ni.g step.

关键词： sulfi.e mi.erals chalcopyri.e xanthates flotati.n i.terfaci.l reacti.ns electrochemi.try spectroscopy

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Evaluati.n of vacci.e rollout strategi.s for emergi.g i.fecti.us di.eases:A model-based approach i.cludi.g protecti.n atti.udes

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i.fecti.us Di.ease Modelli.g 2023年第4期8卷 1032-1049页

作者： Mauri.i. Paton juan M.Acuna Jorge rodríguez Department of Chemi.al Engi.eeri.g College of EngineeringKhalifa UniversitySAN Campus PO Box 127788Abu DhabiUnited Arab Emirates Department of Epi.emi.logy and Publi. Health College of Medicine.Khalifa UniversityPO Box 127788Abu DhabiUnited Arab Emirates

Vacci.e allocati.n strategi.s become cruci.l duri.g vacci.e shortages,especi.lly i. the face of potenti.l outbreaks of new i.fecti.us di.eases,as wi.nessed duri.g the COVi.-19 *** address thi.,a speci.li.ed compartmental model i. created,whi.h si.ulates an emergi.g i.fecti.us di.ease si.i.ar to *** model di.i.es the populati.n i.to di.ferent age groups and i. used to compare vari.us vacci.e pri.ri.i.ati.n approaches,ai.i.g to mi.i.i.e the total number of *** model i. an i.provement upon previ.us ones as i. i.corporates essenti.l behavi.ural factors and i. adapted to account for the protecti.e effects of vacci.ati.n agai.st both di.ease i.fecti.n and *** takes i.to account human behavi.rs such as mask-weari.g and soci.l di.tanci.g by uti.i.i.g speci.i. parameters related to self-protecti.n,awareness levels,and the frequency of dai.y person-to-person i.teracti.ns wi.hi. each age ***,a novel method for dynami. vacci.e pri.ri.i.ati.n was i.troduced i. thi. *** approach i. model-i.dependent and reli.s on the dynami. R *** i. the fi.st ti.e such a method has been developed,offeri.g a deci.i.n-maki.g approach that i. not ti.d to any speci.i. *** i.novati.n provi.es a flexi.le and adaptable strategy for determi.i.g vacci.e pri.ri.i.s based on real-ti.e data and the current state of the *** fi.di.gs reveal cruci.l i.si.hts i.to vacci.e allocati.n *** the dai.y rollout rates are fast(0.75%or hi.her)and chi.dren are eli.i.le for vacci.ati.n,pri.ri.i.i.g groups wi.h hi.h dai.y person-to-person i.teracti.ns can lead to substanti.l reducti.ns i. total fatali.i.s(up to approxi.ately 40%lower).On the other hand,i. rollout rates are slower and overall vacci.ati.n coverage i. hi.h,focusi.g on vacci.ati.g elders emerges as the most effecti.e strategy,resulti.g i. up to approxi.ately 10%fewer ***,the scenari. changes si.ni.i.antly when chi.dren are not eli.i.le for vacci.ati.n

关键词： behavi.ur slower uti.i.i.g

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