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All-electron basis sets for H to Xe specific for ZORA calculations:Applications in atoms and molecules

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Chinese Physics B 2024年第8期33卷 238-246页

作者： C.S.Gomes F.E.Jorge A.Canal Neto Departamento de Fisica Universidade Federal do Espirito Santo29075-910 VitoriaESBrazil Departamento de Fisica Instituto de Ciencias Exatas e BiologicasUniversidade Federal de Ouro Preto Campus Universitario Morro do Cruzeiro35402-136 Ouro PretoMGBrazil

A segmented basis set of quadruple zeta valence quality plus polarization functions(QZP)for H through Xe was developed to be used in conjunction with the ZORA *** set was augmented with diffuse functions to describe electrons farther away from the nuclei *** the ZORA-CCSD(T)/QZP-ZORA theoretical model,atomic ionization energies and bond lengths,harmonic vibrational frequencies,and atomization energies of some molecules were *** addition of core-valence corrections has been shown to improve the agreement between theoretical and experimental results for molecular *** atomization energies,a similar observation emerges when considering spin-orbit *** the augmented QZP-ZORA set,static mean dipole polarizabilities of a set of atoms were calculated and compared with previously published recommended and experimental *** evaluations of the ZORA and douglas–Kroll–Hess Hamiltonians were made for each property studied.

关键词： QZP-ZORA and AQZP-ZORA basis sets elements from H to Xe CCSD(T)method atomic and molecular properties

Determining the effective elastic thickness through cross-correlation between isostatic disturbances

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Geodesy and Geodynamics 2024年第3期15卷 241-251页

作者： Nelson Ribeiro-Filho Cristiano Mendel Martins Raissa Moraes Baldez Ivaldevingles Rodrigues de Souza Júnior Franck Eitel Kemgang Ghomsi Instituto federal do Pará(IFPA) AltamiraParáBrazil universidade federal do Pará(UFPA) BelemParáBrazil Nansen-Tutu Center for Marine Environmental Research Department of OceanographyUniversity of Cape TownSouth Africa Geodesy Research Laboratory National Institute of CartographyYaoundeCameroon

The elastic thickness parameter was estimated using the mobile correlation technique between the observed isostatic disturbance and the gravity disturbance calculated through direct gravimetric modeling. We computed the vertical flexure value of the crust for a specific elastic thickness using a given topographic dataset. The gravity disturbance due to the topography was determined after the calculation. A grid of values for the elastic thickness parameter was generated. Then, a moving correlation was performed between the observed gravity data(representing actual surface data) and the calculated data from the forward modeling. The optimum elastic thickness of the particular point corresponded to the highest correlation coefficient. The methodology was tested on synthetic data and showed that the synthetic depth closely matched the original depth, including the elastic thickness value. To validate the results, the described procedure was applied to a real dataset from the Barreirinhas Basin, situated in the northeastern region of Brazil. The results show that the obtained crustal depth is highly correlated with the depth from known models. Additionally, we noted that the elastic thickness behaves as expected, decreasing from the continent towards the ocean. Based on the results, this method has the potential to be employed as a direct estimate of crustal depth and elastic thickness for any region.

关键词： Isostasy Elastic thickness Isostatic disturbance Moho depth Cross-correlation

Generic Modeling and Control Framework for Power Systems dominated by Power Converters Connected Through a Passive Transmission and Distribution Grid

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CSEE Journal of Power and Energy Systems 2024年第1期10卷 292-301页

作者： Qing-Chang Zhong Marcio Stefanello Department of Electrical and Computer Engineering Illinois Institute of TechnologyChicagoIL 60616USA Syndem LLC USA.M.Stefanello is with the Fundacao Universidade Federal do Pampa at AlegreteRS97546-550Brazil

In this paper,a compact mathematical model having an elegant structure,together with a generic control framework,are proposed for generic power systems dominated by power converters that are interconnected through a passive transmission and distribution(T&D)grid,by adopting the port-Hamiltonian(pH)systems theory and the fundamental circuit *** models of generic T&D lines are developed and then the model of a generic T&D grid is *** the proposed control framework,the controlled converters are proven to be passive and Input-to-State Stable(ISS).The compact mathematical model is scalable and can be applied to power systems with multiple power electronic converters with generic passive controllers,passive local loads,and different types of passive T&D lines connected in a meshed configuration without self-loops,so it is very ***,the resulting power system is proven to be ISS as *** analysis is carried out without assumptions on constant frequency/voltage,constant loads,and/or lossless networks,except the need of passivity for all parts involved,and without using the Clarke/Park transformations or the graph *** simplify the presentation,three-phase balanced systems are adopted but the results can be easily adapted for single-phase or unbalanced three-phase systems.

关键词： Input-to-State Stable(ISS) passivity,portHamiltonian(pH)systems Power electronic converters dominated power systems Synchronized and Democratized(SYNDEM)grid architecture

Plant growth and metabolism of exotic and native Crotalaria species for mine land rehabilitation in the Amazon

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Journal of Forestry Research 2024年第1期35卷 143-154页

作者： Hemelyn Soares das Chagas Rafael Silva Guedes Markus Gastauer Paula Godinho Ribeiro Allan Klynger da Silva Lobato Cecílio Frois Caldeira Fabrício William deÁvila AndréRodrigues dos Reis Silvio Junio Ramos Instituto Tecnológico Vale Rua Boaventura da Silva955BelémPA 66055-090Brazil universidade federal do Sul e Sudeste do Pará XinguaraPABrazil Núcleo de Pesquisa Vegetal Básica e Aplicada Universidade Federal Rural da AmazôniaParagominasPABrazil Departamento de Engenharia Florestal Universidade Estadual do Centro-Oeste/UNICENTROIratiPRBrazil School of Sciences and Engineering São Paulo State University(UNESP)TupãSP.CEP 17602-496Brazil

Despite its enormous benefits,mining is respon-sible for intense changes to vegetation and soil ***,after extraction,it is necessary to rehabilitate the mined areas,creating better conditions for the establishment of plant species which is *** study evaluated mineral and organic fertilization on the growth,and carbon and nitrogen(N)metabolism of two Crotalaria species[Cro-talaria spectabilis(exotic species)and Crotalaria maypu-rensis(native species from Carajás Mineral Province(CMP)]established on a waste pile from an iron mine in CMP.A control(without fertilizer application)and six fertilization mixtures were tested(i=NPK;ii=NPK+micronutrients;iii=NPK+micronutrients+organic compost;iv=PK;v=PK+micronutrients;vi=PK+micronutrients+organic compost).Fertilization contributed to increased growth of both species,and treatments with NPK and micronutrients had the best results(up to 257%***),while organic fertilization did not show *** Crotalaria had a greater number of nodules,higher nodule dry mass,chlorophyll a and b contents and showed free ammonium as the predominant N form,reflecting greater increments in biomass compared to native *** having lower growth,the use of this native species in the rehabilitation of mining areas should be considered,mainly because it has good development and meets current government legislation as an opportunity to restore local biodiversity.

关键词： Biological nitrogen fixation Mining Nitrogen metabolism Plant nutrition

Urea breath test for Helicobacter pylori infection in adult dyspeptic patients: A meta-analysis of diagnostic test accuracy

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World Journal of Gastroenterology 2024年第6期30卷 579-598页

作者： Fabian Fellipe Bueno Lemos Caroline Tianeze de Castro Marcel Silva Luz Gabriel Reis Rocha Gabriel Lima Correa Santos Luís Guilherme de Oliveira Silva Mariana Santos Calmon Cláudio Lima Souza Ana Carla Zarpelon-Schutz Kádima Nayara Teixeira Dulciene Maria de Magalhães Queiroz Fabrício Freire de Melo Instituto Multidisciplinar em Saúde Universidade Federal da BahiaVitória da Conquista 45029-094BahiaBrazil Instituto de Saúde Coletiva Universidade Federal da BahiaSalvador 40110040BahiaBrazil Campus Toledo Universidade Federal do ParanáToledo 85919-899ParanáBrazil Laboratory of Research in Bacteriology UFMGBelo Horizonte 30130-100Minas GeraisBrazil

BACKGROUND Helicobacter pylori(***)infection has been well-established as a significant risk factor for several gastrointestinal *** urea breath test(UBT)has emerged as a leading non-invasive method for detecting *** numerous studies confirming its substantial accuracy,the reliability of UBT results is often compromised by inherent *** findings underscore the need for a rigorous statistical synthesis to clarify and reconcile the diagnostic accuracy of the UBT for the diagnosis of *** *** To determine and compare the diagnostic accuracy of 13C-UBT and 14C-UBT for *** infection in adult patients with *** We conducted an independent search of the PubMed/MEDLINE,EMBASE,and Cochrane Central databases until April *** search included diagnostic accuracy studies that evaluated at least one of the index tests(^(13)C-UBT or ^(14)C-UBT)against a reference *** used the QUADAS-2 tool to assess the methodo-logical quality of the *** utilized the bivariate random-effects model to calculate sensitivity,specificity,positive and negative test likelihood ratios(LR+and LR-),as well as the diagnostic odds ratio(doR),and their 95%confidence *** conducted subgroup analyses based on urea dosing,time after urea administration,and assessment *** investigate a possible threshold effect,we conducted Spearman correlation analysis,and we generated summary receiver operating characteristic(SROC)curves to assess ***,we visually inspected a funnel plot and used Egger’s test to evaluate publication *** both as reliable diagnostic tools in clinical *** In summary,our study has demonstrated that ^(13)C-UBT has been found to outperform the ^(14)C-UBT,making it the preferred diagnostic ***,our results emphasize the significance of carefully considering urea dosage,assessment timing,and measurement techniques for both tests to enh

关键词： Helicobacter pylori Urea breath test Diagnosis Diagnostic test accuracy Meta-analysis

A Study of the Comets with Large Perihelion Distances C/2019 L3(ATLAS)and C/2019 O3(Palomar)

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Research in Astronomy and Astrophysics 2024年第9期24卷 199-213页

作者： Alberto S.Betzler Centro de Ciencia e Tecnologia em Energia e Sustentabilidade Universidade Federal do Recôncavo da BahiaFeira de SantanaBahia44.085-132Brazil

This work analyzes the photometric data of the Oort spike comets C/2019 L3(ATLAS)and C/2019 O3(Palomar)obtained between 2016 and 2023 by the ATLAS network and the Belgian Olmen *** comets Palomar and ATLAS have a typical and unusually high activity level,respectively,based on the Afρparameter corrected to phase angle zero at *** absolute magnitude of comets ATLAS and Palomar in the o-band is 4.71±0.05 and 4.16±0.02 *** cometary activity of comets ATLAS and Palomar probably began at r>13 au before perihelion and will end at r>14 au after perihelion,which means that they could remain active until the second half of *** nucleus of comet ATLAS has a minimum radius of 7.9 km,and the nucleus of comet Palomar could be a little *** c-o colors of the comets ATLAS and Palomar are redder and bluer,respectively,at perihelion than the solar twin YBP *** comets showed a bluish trend in the coma color with decreasing heliocentric *** Palomar probably had two outbursts after its perihelion,each releasing about 10^(8)kg of *** slopes of the photometric profile of the comae of these comets were between 1and 1.5,indicating a steady state during the observation campaign.

关键词： individual C/2019 L3(ATLAS) C/2019 O3(Palomar) techniques:photometric methods:data analysis

Designing for well-Being: Using facial micro-expression analysis and EEG biosensor to evaluate human responses to 2D biophilically-driven geometries

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Frontiers of Architectural Research 2024年第2期13卷 219-234页

作者： Andrea Macruz Ernesto Bueno Gustavo Sol Jaime Vega Ricardo Palmieri Bing Zhao College of Architecture and Urban Planning Tongji UniversityShanghaiChina universidade Presbiteriana Mackenzie Sao PauloBrazil Centro Universitario Belas Artes Sao PauloBrazil universidade Anhembi Morumbi Sao PauloBrazil universidade federal do ABC Santo AndreBrazil

This research explores the capacity of emerging technologies to enhance well-being. It involves the generation of 2D biophilically-driven geometries to represent human-response-oriented built environments and conducts inter and intra-individual analyses to assess human responses using a range of technologies within the realms of facial micro-expression analysis and EEG biosensor use. The outcomes of this analysis allow for the grading of these geometries in terms of emotional valences, meditation levels, and subjective preferences. These graded geometries can subsequently be employed in specific architectural contexts, such as interior decor, wallpapers, furniture surfaces, or other architectural and interior components. It is an interdisciplinary effort that underscores the importance of incorporating emerging technological means with human-response-oriented design approaches to foster built environments that promote well-being.

关键词： Biophilic design Geometrical algorithmicmodeling Facial micro-expressionanalysis EEG biosensor Neuroscience

Morphological traits explain the individual position within resource-consumer networks of a Neotropical marsupial

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Current Zoology 2024年第4期70卷 453-464页

作者： Nicholas F.de Camargo Hernani F.M.de Oliveira Juliana F.Ribeiro Amabilio J.A.de Camargo Emerson M.Vieira Laboratorio de Ecologia de Vertebrados Departamento de EcologiaInstituto de Ciencias BiologicasUniversidade de BrasiliaCP 04457BrasiliaDF70910-900Brazil Departamento de Zoologia Setor de Ciencias BiologicasUniversidade Federal do ParanaAvenida Coronel Francisco Heraclito dos Santos100CuritibaPR81531980Brazil Embrapa Cerrados Rodovia BR020km 18CP 08223PlanaltinaDE73310-970Brazil

Knowledge regarding the influence of individual traits on interaction patterns in nature can help understand the topological role of individuals within a network of intrapopulation *** tested hypotheses on the relationships between individuals'positions within networks(specialization and centrality)of 4 populations of the mouse opossum Gracilinanus agilis and their traits(i.e.,body length,body condition,tail length relative to body length,sex,reproductive condition,and botfly parasitism)and also seasonal effects in the Brazilian *** with lower body length,better body condition,and relatively shorter tail were more specialized(i.e.,less connected within the network).Individuals were also more specialized and less connected during the warm-wet *** relationship between individuals'position in the network and body traits,however,was independent of *** propose that specialization may arise not only as a result of preferred feed-ing strategies by more capable individuals(i.e.,those with better body condition and potentially prone to defend and access high-quality food resources)but alsobecause of morphological ***/younger individuals(consequently with less experience in foraging)and short-tailed individuals(less skilled to explore the vertical strata of the vegetation)would feed only on a subset of the available food resources and consequently become more ***,individuals are more specialized during the warm-wet season because of high competition(population-dense period)and higher ecological opportunities(resource-rich period).Therefore,our study reveals the relevance of individual traits inshaping interactionpatternsandspecialization inpopulations.

关键词： bodytraits centrality Cerrado Gracilinanus agilis seasonality specialization.

Arlenea delicata *** ***.,a new ephedroid plant from the Early Cretaceous Crato Formation,Araripe Basin,Northeast Brazil

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Plant Diversity 2024年第3期46卷 362-371页

作者： Alita Maria Neves Ribeiro Yong Yang Antonio Alamo Feitosa Saraiva Renan Alfredo Machado Bantim Joao Tavares Calixto Junior Flaviana Jorge de Lima Programa de Pos-Graduaçao em Diversidade Biologica e Recursos Naturais Universidade Regional do CaririRua Carolino SucupiraPimenta63105-160CratoCearaBrazil Co-Innovation Center for Sustainable Forestry in Southern China College of Biology and the Environment159 Longpan RoadNanjing Forestry UniversityNanjing210037China Laboratorio de Paleontologia Universidade Regional do CaririRua Carolino SucupiraPimenta63105-160CratoCearaBrazil Laboratorio de Estudos da Flora Regional Universidade Regional do CaririRua Carolino SucupiraPimenta63105-160CratoCearaBrazil Gondwanan Plants Lab Universidade Federal de PernambucoCentro Academico de VitoriaRua Do Alto Reservatorio S/nBela Vista55608-680Vitoria de Santo AntaoPernambucoBrazil Programa de Pos-Graduaçao em Geociencias(PPGEOC) Universidade Federal de Pernambuco(UFPE)Rua Av.da ArquiteturaS/n°CEP-50740-550Cidade UniversitariaRecifePernambucoBrazil

Ephedroid macrofossils have been widely documented in Cretaceous deposits,including numerous from the Lower Cretaceous Yixian Formation of NE ***,few ephedroid macrofossils have been reported from South ***,we describe a new plant of the family Ephedraceae,Arlenea delicata *** ***.,from the Lower Cretaceous Crato Formation of the Araripe Basin,Northeast Brazil,based on the vegetative and reproductive *** has the typical morphological characteristics of ephedroid plants,including fertile reproductive branches,opposite phyllotaxy,terminal female cones,a sympodial branching system,longitudinally striated internodes,and swollen *** new finding is unusual in having inner chlamydosperms subtended by two pairs of bracts,reproductive units connected to branches through swollen receptacles and a smooth seed *** new ephedroid taxon from the Crato Formation increases our understanding of plant diversity of this group during the Early ***,the general morphology(fleshy bracts and enlarged receptacles)of this new fossil discovery indicates that seeds of this plant may have been dispersed by animals such as pterosaurs(mainly the Tapejaridae)and birds(Enantiornithes and Ornituromorpha).If true,this would explain the cosmopolitan distribution of Ephedraceae in the Lower Cretaceous.

关键词： Early Cretaceous Gnetophytes Arlenea delicata Ephedrales Crato Formation