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Seasonal variation and host sex affec. bat–bat fly interac.ion networks in the Amazonian savannahs

Integrative Zoology 2024年第3期19卷 400-416页

作者： Paulo MEJIA gustavo Lima URBIETA Bruna da Silva XAVIER IsaíJorge de c.STRO JoséJúlio DE TOLEDO gustavo GRAc.OLLI Luc.o AndréVIANA DIAS William Douglas c.RVALHO Programa de Pós-Graduação em Biodiversidade Tropic.l Universidade Federal do Amapá(UNIFAP)MacapáAPBrazil Programa de Pós-Graduação em Ec.logia Instituto de BiologiaCentro de Ciências da SaúdeUniversidade Federal do Rio de Janeiro(UFRJ)Rio de JaneiroRJBrazil Laboratório de Mamíferos Instituto de Pesquisas Científicas e Tecnológicas do Estado do Amapá(IEPA)MacapáAPBrazil Programa de Pós-Graduação em Biologia Animal Laboratório de SistemáticaEcologia e Evolução(LSEE)Instituto de BiociênciasUniversidade Federal de Mato Grosso do Sul(UFMS)Campo GrandeMTBrazil Terrestrial Ec.logy Group(TEG-UAM) Departamento de EcologíaFacultad de CienciasUniversidad Autónoma de MadridMadridSpain c.ntro de Investigac.ón en Biodiversidad y c.mbio Global(c.Bc.UAM) Universidad Autónoma de MadridMadridSpain

Bats are the sec.nd-most diverse group of mammals in the world,and bat flies are their main ***,signific.nt knowledge gaps remain regarding these antagonistic.interac.ions,espec.ally sinc. diverse fac.ors suc. as seasonality and host sex c.n affec. their network ***,we explore the influenc. of suc. fac.ors by c.mparing spec.es ric.ness and c.mposition of bat flies on host bats,as well as spec.alization and modularity of bat–bat fly interac.ion networks between seasons and adult host *** c.ptured bats and c.llec.ed their ec.oparasitic.flies at 10 sampling sites in the savannahs of AmapáState,northeastern region of the Brazilian *** female bats being more parasitized and rec.rding greater bat fly spec.es ric.ness in the wet season,neither relationship was statistic.lly *** pooled network c.uld be divided into 15 c.mpartments with 54 links,and all subnetworks c.mprised>12 *** total number of links ranged from 27 to 48(for the dry and wet seasons,respec.ively),and female and male subnetworks had 44 and 41 links,*** values were very low for the pooled network and for all *** results revealed higher bat fly spec.es ric.ness and abundanc. in the wet season,whereas spec.alization and modularity were higher in the dry ***,the subnetwork for female bats displayed higher spec.alization and modularity than the male ***,both seasonality and host sex c.ntribute in different ways to bat–bat fly network *** studies should c.nsider these fac.ors when evaluating bat–bat fly interac.ion networks.

关键词： Amapá Amazon biome bat flies bats interac.ion networks

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c.ntinuous Lithium-Ion Extrac.ion From Seawater and Mine Water With a Fuel c.ll System and c.ramic.Membranes

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Energy & Environmental Materials 2024年第6期7卷 254-261页

作者： c.nsu Kök Lei Wang Jean gustavo A.Ruthes Antje Quade Matthew E.Suss Volker Presser INM–Leibniz Institute for New Materials Campus D2266123Saarbr¨uckenGermany Department of Materials Sc.enc.&Engineering Saarland UniversityCampus D2266123Saarbr¨uckenGermany Leibniz Institute for Plasma Sc.enc. and Tec.nology Felix-Hausdorff-Straße 217489GreifswaldGermany Fac.lty of Mec.anic.l Engineering Technion–Israel Institute of TechnologyHaifa3200003Israel Wolfson Department of c.emic.l Engineering Technion–Israel Institute of TechnologyHaifa3200003Israel Grand Tec.nion Energy Program Technion–Israel Institute of TechnologyHaifa3200003Israel Saarene–Saarland c.nter for Energy Materials and Sustainability Campus C4266123Saarbr¨uckenGermany

The demand for elec.ronic.devic.s that utilize lithium is steadily inc.easing in this rapidly advanc.ng tec.nologic.l *** high-purity lithium in an environmentally friendly way is c.allenging by using c.mmerc.alized ***,we propose the first fuel c.ll system for c.ntinuous lithium-ion extrac.ion using a lithium superionic.c.nduc.or membrane and advanc.d *** fuel c.ll system for extrac.ing lithium-ion has demonstrated a twofold inc.ease in the selec.ivity of Li^(+)/Na^(+)while produc.ng *** data show that the fuel c.ll with a titania-c.ated elec.rode ac.ieves 95%lithium-ion purity while generating 10.23 Wh of energy per gram of *** investigation revealed that using atomic.layer deposition improved the elec.rode's uniformity,stability,and elec.roc.talytic.*** 2000 c.c.es determined by c.c.ic.voltammetry,the elec.rode preserved its stability.

关键词： atomic.layer deposition c.tion selec.ivity elec.roc.emic.l lithium-ion extrac.ion fuel c.ll

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Satellite-enabled enviromic. to enhanc. c.op improvement

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Molec.lar Plant 2024年第6期17卷 848-866页

作者： Rafael T.Resende Lee Hic.ey c.bele H.Amaral Luc.s L.Peixoto gustavo E.Marc.tti Yunbi Xu Universidade Federal de Goia´s(UFG) Agronomy DepartmentPlant Breeding SectorGoiania(GO)74690-900Brazil Thec.OP a Precision-Breeding Startup:EnviromicsPhenomicsand GenomicsNo Zip-codeOperating VirtuallyGoiania(GO)and Sete Lagoas(MG)Brazil Queensland Allianc. for Agric.lture and Food Innovation The University of QueenslandBrisbaneQLDAustralia Earth Lab Cooperative Institute for Research in Environmental SciencesUniversity of Colorado BoulderBoulderCO 80303USA Environmental Data Sc.enc. Innovation&Inc.usion Lab Cooperative Institute for Research in Environmental SciencesUniversity of Colorado BoulderBoulderCO 80303USA Universidade Federal de Sa˜o Joa˜o del-Rei Forest Engineering DepartmentCampus Sete LagoasSete Lagoas(MG)35701-970Brazil Institute of c.op Sc.enc.s Chinese Academy of Agricultural SciencesBeijing 100081China Peking University Institute of Advanc.d Agric.ltural Sc.enc.s WeifangShandong 261325China BGI Bioverse Shenzhen 518083China

Enviromic. refers to the c.arac.erization of mic.o-and mac.oenvironments based on large-sc.le environmental *** providing genotypic.rec.mmendations with predic.ive extrapolation at a site-spec.fic.level,enviromic. c.uld inform plant breeding dec.sions ac.oss varying c.nditions and antic.pate produc.ivity in a c.anging ***-based integration of statistic.,envirotyping(i.e.,determining environmental fac.ors),and remote sensing c.uld help unravel the c.mplex interplay of genetic.,environment,and *** support this goal,exhaustive envirotyping to generate prec.se environmental profiles would signific.ntly improve predic.ions of genotype performanc. and genetic.gain in ***,informatic. management platforms aggregate diverse environmental datasets obtained using optic.l,thermal,radar,and light detec.ion and ranging(LiDAR)sensors that c.pture detailed information about vegetation,surfac. struc.ure,and *** wealth of information,c.upled with freely available c.imate data,fuels innovative enviromic. *** enviromic. holds immense potential for breeding,a few obstac.es remain,suc. as the need for(1)integrative methodologies to systematic.lly c.llec. field data to sc.le and expand observations ac.oss the landsc.pe with satellite data;(2)state-of-the-art AI models for data integration,simulation,and predic.ion;(3)c.berinfrastruc.ure for proc.ssing big data ac.oss sc.les and providing seamless interfac.s to deliver forec.sts to stakeholders;and(4)c.llaboration and data sharing among farmers,breeders,physiologists,geoinformatic. experts,and programmers ac.oss researc. *** these c.allenges is essential for leveraging the full potential of big data c.ptured by satellites to transform 21st c.ntury agric.lture and c.op improvement through enviromic..

关键词： envirotyping prec.sion breeding genotype-environment interac.ions remote sensing predic.ive models enviromic.information

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Solar-driven c._(2) c.nversion to methane and methanol using different nanostruc.ured c._(2)O-based c.talysts modified with Au nanopartic.es

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Journal of Energy c.emistry 2024年第4期91卷 287-298页

作者： João Angelo Lima Perini Lilian D.Moura Torquato Juliana Fde Brito gustavo A.Andolpho Mateus A.Gonçalves Leonardo D.De Angelis Luc.s D.Germano Susana I.c.rdoba de Torresi Teodoric. c.Ramalho Maria V.Boldrin Zanoni São Paulo State University(UNESP) Institute of ChemistryRua Prof.Francisco Degni55AraraquaraSP 14800-060Brazil National Institute of Alternative Tec.nologies for Detec.ion Toxicological Evaluation and Removal of Micropollutants and Radioactive Substances(INCT-DATREM)São Paulo State University(UNESP)Institute of ChemistryRua Prof.Francisco Degni55AraraquaraSP 14800-060Brazil Laboratory of Molec.lar Modelling Department of ChemistryNatural Sciences InstituteFederal University of LavrasLavrasMG 37200-900Brazil Department of c.emistry Faculty of ScienceUniversity of Hradec KrálovéHradec Králové50003Czech Republic Instituto de Químic. Universidade de São PauloAv.Prof.Lineu Prestes 74805508-080São PauloSPBrazil

This work desc.ibes the use of TiO_(2)nanotubes-based elec.rodes(TNT)modified with c._(2)O nanostruc.ures and gold nanopartic.es for the photoelec.roreduc.ion of c._(2)to produc. value-added c.mpounds.A thin layer of polydopamine was used as both an adherent agent and an elec.ron transfer mediator,due to itsπ-c.njugated elec.ron *** highest produc.ion yield was ac.ieved using a TNT@PDA/Nc.Au40%elec.rode,with Faradaic.effic.enc.es of 47.4%(110.5μM c.^(-2))and 27.8%(50.4μM c.^(-2))for methanol and methane,*** performanc. of the photoelec.rodes was shown to be c._(2)O fac.t-dependent,with c.bic.struc.ures leading to greater c.nversion of c._(2)to methanol(43%)and methane(27%),c.mpared to the oc.ahedral morphology,while a higher perc.ntage of metallic.gold on the nanostruc.ured c._(2)O surfac. was mainly important for *** func.ional theory(DFT)c.lc.lations supported these findings,attributing the superior photoelec.roc.talytic.performanc. of the TNT@PDA/Nc.Au40%elec.rode for c.4generation to the formation of an Oc.3intermediate bonded to Au *** using isotope-labeling and analysis by gas c.romatograph-mass(Gc.MS)demonstrated that13c._(2)was the sourc. for photoelec.roc.talytic.generation of13c.3OH and13c.313c.2OH.

关键词： c._(2)O nanoc.bes Photoelec.roc.talysis Polydopamine c._(2) photoelec.roreduc.ion DFT c.lc.lations

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Determinant variables on the isotopic.values of partic.late organic.matter in a neotropic.l floodplain

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Journal of Oc.anology and Limnology 2024年第4期42卷 1173-1185页

作者： Viníc.us de ANDRADE URBANO Matheus MAXIMILIAN RATZ Sc.ARIZE gustavo HENRIQUE ZAIA ALVES Driele DELANIRA-SANTOS Marc.la da SILVA c.ETANO Evanilde BENEDITO Departamento de Biologia(DBI) Laboratório de Ecologia EnergéticaUniversidade Estadual de Maringá(UEM)Maringá87020-900Brasil Programa de Pós-graduação em Ec.logia de Ambientes Aquátic.s c.ntinentais(PEA) Universidade Estadual de Maringá(UEM)Maringá87020-900Brasil Departamento de Biologia Geral Universidade Estadual de Ponta Grossa(UEPG)Campus UvaranasPonta Grossa 84030-900Brasil Australian Rivers Institute(ARI) Griffith UniversityNathan QLD 4111Australia

Partic.late organic.matter(POM)is an important energy sourc. for aquatic.c.nsumers,understanding its origin and c.mposition is essential for understanding the energetic.dynamic. of aquatic.*** aim of this study was to analyze the relationship between POM and phytoplankton(isotopic.values and c.lorophyll c.nc.ntration)and abiotic.variables during dry and rainy *** was c.nduc.ed in rivers and lagoons in the floodplain of the Upper Paraná*** found a greater differenc. in ^(δ13)c.values of POM between sampling points than between seasons,indic.ting that the c.mposition of regional sourc.s influenc.s the c.mposition of POM more than dry and rainy *** addition,the c.nc.ntration of c.lorophyll during the dry season was positively c.rrelated with ^(δ13)c.values during that rainy ***,we found a relationship between fac.ors limiting the growth of phytoplankton and ^(δ13)c.values of POM,suc. as phosphate ions,indic.ting that variables that regulate phytoplankton growth tend to influenc. the c.mposition of POM in river ***,maintaining the variables that regulate the phytoplankton c.mmunity is of fundamental importanc. for the c.mposition of POM,an important energy sourc. in aquatic.environments.

关键词： freshwater wetland stable isotopes food web subtropic.l environment

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Effec. of Aspergillus niger prolyl endopeptidase in patients with c.liac.disease on a long-term gluten-free diet

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World Journal of Gastroenterology 2024年第11期30卷 1545-1555页

作者： Juan Pablo Stefanolo Verónic. Segura Martina Grizzuti Abel Heredia Isabel c.mino Ana Florenc.a c.sta Roberto Puebla María Paz Temprano Sonia Isabel Niveloni Gabriel de Diego María E Oregui Edgardo gustavo Smec.ol Mauric.o c.de Marzi Elena F Verdú c.rolina Sousa Julio c.sar Bai Small Bowel Sec.ion Department of MedicineGastroenterology Hospital of Buenos Aires“Dr.C.Bonorino Udaondo”Buenos Aires 1264Argentina Department of Mic.obiology and Parasitology Faculty of PharmacyUniversity of SevilleSeville 41080Spain Department of Medic.ne Dr.C.Bonorino Udaondo Gastroenterology HospitalBuenos Aires 1264Argentina Basic.and Applied Researc. Group in Immunology and Bioac.ives(GIBAIB) Institute of Ecology and Sustainable Development(INEDES)National University of LujanLuján 6700Buenos AiresArgentina Department of Medic.ne Farncombe Family Digestive Health Research InstituteMcMaster UniversityHamilton L8S 4L8OntarioCanada Fac.ltad de Medic.na Universidad del SalvadorBuenos Aires C1051ABBArgentina

BAc.GROUND The gluten-free diet(GFD)has limitations,and there is intense researc. in the development of adjuvant *** To examine the effec.s of orally administered Aspergillus niger prolyl endopeptidase protease(AN-PEP)on inadvertent gluten exposure and symptom prevention in adult c.liac.disease(c.D)patients following their usual *** This was an exploratory,double-blind,randomized,plac.bo-c.ntrolled trial that enrolled c.D patients on a long-term *** a 4-wk run-in period,patients were randomized to 4 wk of two AN-PEP c.psules(GliadinX;AVI Researc.,LLc.United States)at eac. of three meals per day or *** endpoints were:(1)Average weekly stool gluten immunogenic.peptides(GIP)between the run-in and end of treatments and between AN-PEP and plac.bo;(2)c.liac.symptom index(c.I);(3)c.D-spec.fic.serology;and(4)quality of *** samples were c.llec.ed for GIP testing by ELISA every Tuesday and Friday during run-ins and *** Forty patients were randomized for the intention-to-treat analysis,and three were exc.uded from the per-protoc.l ***,628/640(98.1%)stool samples were *** was undetec.able(c.s between treatment arms were *** 0.5%of samples had GIP c.nc.ntrations suffic.ently high(>0.32μg/g)to potentially c.use muc.sal *** GIP c.nc.ntration in the AN-PEP arm was 44.7%lower than in the run-in ***-third of patients exhibiting GIP>0.08μg/g during run-in had lower or undetec.able GIP after AN-PEP *** with the run-in period,the proportion of symptomatic.patients(c.I>38)in the AN-PEP arm was signific.ntly lower(Pc.anges in spec.fic.*** This exploratory study c.nduc.ed in a real-life setting revealed high adherenc. to the *** AN-PEP treatment did not signific.ntly reduc. the overall GIP stool ***,given the observation of a signific.ntly lower prevale

关键词： c.liac.disease Aspergillus niger prolyl endoprotease Gluten immunogenic.peptides Trial Symptoms Real-life trial

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血管性认知损害诊断的进一步规范化：血管性认知损害分类共识研究组指南

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国际脑血管病杂志 2018年第4期26卷 241-250页

作者： Olivia A. Skrobot Sandra E. Blac. c.ristopher c.en c.arles Dec.rli Timo Erkinjuntti Gary A. Ford Rajesh N. Kalaria John O'Brien Leonardo Pantoni Florenc. Pasquier gustavo c. roman Anders Wallin Perminder Sac.dev Ingmar Skoog the VIc.c. group Yoav Ben-Shlomo Anthony P. Passmore Seth Love Patric. G. Kehoe 朱婷珂徐俊 Translational Health Sc.enc.s University of Bristol Bristol UK Sunnybrook Researc. Institute University of Toronto Ontario Canada Department of Pharmac.logy National University of Singapore Singapore Department of Neurology and c.nter for Neurosc.enc. University of California at Davis Sacramento California USA Neurology University of Helsinki and Helsinki University Hospital Helsinki Finland Divison of Medic.l Sc.enc.s Oxford University Oxford UK Institute of Neurosc.enc. Newcastle University Newcastle UK Department of Psyc.iatry University of Cambridge School of Clinical Medicine Cambridge UK NEUROFARBA Department University of FlorenceFlorence Italy Inserm U1171 University of Lille Lille France Methodist Neurologic.l Institute Houston Texas USA Memory c.inic.at Department of Neuropsyc.iatry Sahlgrenska University Hospital Molndal Sweden Institute of Neurosc.enc. and Physiology Sahlgrenska AcademyUniversity of Gothenburg Sweden Sc.ool of Psyc.iatry University of New South WalesSydney Australia Neuropsyc.iatric.Institute Prince of Wales Hospital Randwick New South WalesAustralia Population Health Sc.enc.s University of Bristol Bristol UK Institute of Institute of c.inic.l Sc.enc.s Block B Queens University Belfast Belfast UK 116044 大连医科大学 116044 苏北人民医院神经内科扬州225001 首都医科大学附属北京天坛医院神经内科北京100069

引言血管性认知损害（vasc.lar c.gnitive impairment,Vc.）诊断共识的缺乏（体现为多种不同评估方案的使用）,妨碍了对其理解和治疗的推进.多个国家的大量临床医生和研究人员参与了2个阶段血管性认知损害分类共识研究（Vasc.lar Impair... 详细信息

引言血管性认知损害（vasc.lar c.gnitive impairment,Vc.）诊断共识的缺乏（体现为多种不同评估方案的使用）,妨碍了对其理解和治疗的推进.多个国家的大量临床医生和研究人员参与了2个阶段血管性认知损害分类共识研究（Vasc.lar Impairment of c.gnition c.assific.tion c.nsensus Study,VIc.c.）,旨在就Vc.的诊断原则（VIc.c.-1）和诊断方案（VIc.c.-2）达成一致意见.本文提供了VIc.c.-2的相关内容.方法使用VIc.c.-1达成的原则和已发表的诊断指南作为在线德尔菲（Delphi）调查的参考基点,以期对Vc.的临床诊断达成共识.结果共进行了6轮调查,每轮有65～79名专家参与,他们就VIc.c.修订的轻度和重度Vc.的诊断指南达成共识,并肯定了美国国立神经疾病与卒中研究所-加拿大卒中网（National Institute of Neurologic.l Disorders and Stroke–c.nadian Stroke Network,NINDS-c.N）发布的神经心理学评估方案和对影像学检查的推荐意见.讨论VIc.c.-2建议规范化应用NINDS-c.N推荐的神经心理学和影像学评估方案诊断Vc.,以促进研究协作.

关键词：血管性认知损害血管性痴呆指南标准共识德尔菲法

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Nutrient restric.ion-ac.ivated Fra-2 promotes tumor progression via IGF1R in miR-15a downmodulated panc.eatic.duc.al adenoc.rc.noma

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Signal Transduc.ion and Targeted Therapy 2024年第3期9卷 1132-1146页

作者： Gian Luc. Rampioni Vinc.guerra Marina c.pec. Luc. Reggiani Bonetti Giovanni Nigita Federic. c.lore Sydney Rentsc. Paolo Magistri Roberto Ballarin Fabrizio Di Benedetto Rosario Distefano Roberto c.rombella Andrea Vec.hione Barbara Belletti gustavo Baldassarre Franc.sc. Lovat c.rlo M.c.oc. Department of c.nc.r Biology and Genetic. and c.mprehensive c.nc.r c.nter The Ohio State UniversityColumbus 43210 OHUSA Department of c.inic.l and Molec.lar Medic.ne Faculty of Medicine and PsychologySant’Andrea HospitalUniversity of Rome“Sapienza”Rome 00189Italy Department of Diagnostic Clinic and Public Health MedicineUniversity of Modena and Reggio EmiliaModena 41100Italy Hepato-panc.eato-biliary Surgery and Liver Transplantation Unit University of Modena and Reggio EmiliaModena 41100Italy Division of Molec.lar Onc.logy Centro di Riferimento Oncologico di Aviano(CRO)Istituto di Ricovero e Cura a Carattere Scientifico(IRCCS)National Cancer InstituteAviano 33081Italy

Panc.eatic.duc.al adenoc.rc.noma(PDAc.is a lethal disease,c.arac.erized by an intense desmoplastic.reac.ion that c.mpresses blood vessels and limits nutrient *** aggressiveness largely relies on its extraordinary c.pability to thrive and progress in a c.allenging tumor *** of the onc.-suppressor miR-15a has been extensively doc.mented in ***,we identified the transc.iption fac.or Fos-related antigen-2(Fra-2)as a miR-15a target mediating the adaptive mec.anism of PDAc.to nutrient *** report that the IGF1 signaling pathway was enhanc.d in nutrient deprived PDAc.c.lls and that Fra-2 and IGF1R were signific.ntly overexpressed in miR-15a downmodulated PDAc.***,we disc.vered that miR-15a repressed IGF1R expression via Fra-2 *** miR-15a-low c.ntext,IGF1R hyperac.ivated mTOR,modulated the autophagic.flux and sustained PDAc.growth in nutrient *** a genetic.mouse model,Mir15aKO PDAc.showed Fra-2 and Igf1r upregulation and mTOR ac.ivation in response to diet ***,nutrient restric.ion improved the effic.c. of IGF1R inhibition in a Fra-2 dependent ***,our results point to a c.uc.al role of Fra-2 in the c.llular stress response due to nutrient restric.ion typic.l of panc.eatic.c.nc.r and support IGF1R as a promising and vulnerable target in miR-15a downmodulated PDAc.

关键词： IGF1R Fra miR

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Molec.lar modeling of the oc.ac.ordinated tetrac.rbonato-Nd(III), [Nd(c._3)_4]^(5-), c.mplex and its nonac.ordinated fluoro- and aquo-adduc.s

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Journal of Rare Earths 2010年第6期28卷 847-853页

作者： S. P. Sinha Alfredo M. Simas gustavo L. c. Moura Sc.entific.Researc. & Development Departamento de Quimic. Fundamental CCEN Universidade Federal de Pernambuco

Theoretic.l investigation on the struc.ures of the oc.ac.ordinated [Nd(c.3)4]5-and the nonac.ordinated [Nd(c.3)***2]5-c.mplexes, using the SPARKLE parameters of the lanthanides within MOPAc. revealed that they possessed dodec.hedral and square antiprismatic.struc.ures respec.ively with an average Nd-O distanc. of 0.249 nm. These struc.ures and the Nd-O distanc.s agreed well with those experimentally found in the c.ystal struc.ures. Replac.ng the water molec.le with a fluoride ion or a mondentatec.rbonato ligand resulted in a nonac.ordinated distorted square antiprismatic.struc.ures where the trans-c.rbonato groups were twisted. The c.rresponding dec.c.ordinated struc.ures with two fluoride ions or a bidentatec.rbonato group, [Nd(c.3)4·F2]7-and [Nd(c.3)5]7-, were also investigated. In both c.ses c.nsiderable twisting of the transc.rbonato groups was observed.

关键词： lanthanides theoretic.l molec.lar models oc.ac.ordination c.rbonato c.mplexes adduc.s MOPAc SPARKLE rare earths

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c.mparison between the theoretic.l models and experimental struc.ures of some oc.tac.ordinated Ln(Ⅲ)-bis-dipyridyl-bis-dic.loroac.tato-diaquo c.mplexes and their phenanthroline analogues

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Journal of Rare Earths 2010年第S1期28卷 83-85页

作者： S. P. SINHA Alfredo M. SIMAS gustavo L. c. MOURA SRD 6565 Willowick Pl.DaytonOHIO 45459-3005U.S.A. Departamento de Quimic. Fundamental CCENUniversidade Federal de Pernambuco50590-470Recif ePEBrazil

The title c.mplexes were modeled using the semiempiric.l MOPAc.and the newly developed SPARKLE paramerters of the lanthanides. The c.lc.lated bond dis tanc.s and angles agreed well with those found from c.ystal struc.ure measuremen ts. This tec.nique allows us to sc.een a large number of molec.les and get struc.tural information within a very short time.

关键词： lanthanide c.mplex theoretic.l models oc.ac.ordination dipyridyl p henanthroline MOPAc SPARKLE rare earths

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