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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

A remote sensing approach to estimate the load bearing capacity of soil

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Information Processing in Agriculture 2024年第1期11卷 109-116页

作者： Italo Rômulo Mendes de Souza edson Eyji Sano Renato Paiva de Lima Anderson Rodrigo da Silva Statistics and Geoprocessing Laboratory Instituto Federal GoianoGeraldo Silva Nascimento RoadKm 2.575790-000 UrutaíGoiásBrazil Embrapa cerrados BR-020 RoadKm 18Mailbox 0822373310-970 PlanaltinaDFBrazil Department of Soil Science ‘Luiz de Queiroz’College of AgricultureUniversity of São PauloAv.Pádua Dias235-AgronomiaPiracicabaSP 13418-900Brazil

Preconsolidation pressure(σp)of soil can be considered as an indicator of the Load Bearing capacity(LBc),which is the tolerated surface pressure before compaction,often caused by the traffic of agricultural *** this pioneering study,a remote sensing approach was introduced to estimate LBc throughσp from soils of the“Rio Preto”Hydrographic Basin,Bahia State,Brazil,in a monthly time lapse from 2016 to ***,σp is measured by a laborious and time demanding laboratory analysis,making it unfeasible to map large *** innovative methodology of this work consists of combining active–passive satellite data on soil moisture and pedotransfer functions of clay content and water matric potential to obtain geo-located estimates ofσ*** were analysed under different classes of soil use,land cover and slope;95%confidence intervals were built for the time series of mean values of LBc for each *** overall seasonal variation in LBc estimates is similar in areas with annual crops,grasslands and natural vegetation,and flat areas are less affected by soil moisture variations over the year(between seasons).LBc decreased,in general,at about 0.5%a year in flat ***,these areas demand attention,since they occupy 86%of the Basin and are mostly subjected to agricultural soil management and surface pressure by heavy machinery.

关键词： Soil compaction SMAP Preconsolidation stress Brazilian cerrado

A high-power electromagnetic source for disabling improvised explosive devices

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High Voltage 2024年第2期9卷 403-409页

作者： Laurent Ariztia Njomza Ibrahimi Alexey Zhabin Antoine Silvestre de Ferron Marc Rivaletto edson Martinod Valérie Bertrand Bucur Novac Laurent Pécastaing Universite de Pau et des Pays de l’Adour E2S UPPASIAMEPauFrance XLIM UMR CNRS BriveLimogesFrance cISTEME LimogesFrance Wolfson School of Mechanical Electrical and Manufacturing EngineeringLoughborough UniversityLoughboroughLeicestershireUK

Ultra-wideband(UWB)microwave sources driven by specialised pulsed power generators have experienced a considerable development in the last decade due to their wide domain of new applications such as defence or counter-terrorism *** authors present the main findings of a research dedicated to the development of a pulsed power-driven electromagnetic field source for disabling improvised explosive devices(IED).The pulsed power generator driving the source is a 13-stage compact Marx producing voltage pulses reaching an amplitude of 0.5 MV,with a pulse repetition frequency(PRF)of up to 100 *** generator is coupled to a bipolar pulse forming line,providing bipolar pulses with a dV/dt of around 1.6 MV/*** pulsed power system feeds an array composed of 16 Koshelev-type UWB antennas through an impedance matching *** resulting electromagnetic source is capable to produce pulsed electric fields(PEFs)having a figure-of-merit(FOM)of 1 ***,practical experiments were carried out to study the effects of the PEFs on *** targets used in the present study are M2B type flashbulbs,known to have the same susceptibility as the US army M6 *** configurations of wires(shielded,twisted,etc)with different lengths were used in connecting items inside these *** tests were performed by placing the flashbulbs at different distances to determine the essential parameters(i.e.,amplitude,duration,and frequency range)of the PEFs required to trigger *** overview of the experimental campaign and the main findings are also presented followed by conclusions.

关键词： power bipolar source

Synthesis of coral-like structures of Pr-Yb co-doped YIG: Structural,optical, magnetic and antimicrobial properties

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Journal of Rare Earths 2024年第3期42卷 543-554,I0004页

作者： A.Fernandez Francisca P.Araujo Y.Guerra S.castro-Lopes J.Matilla-Arias Idglan S.de Lima edson c.Silva-Filho Josy A.Osajima F.Guerrero R.Pena-Garcia Federal University of Piau Graduate Program in Materials Science and EngineeringTeresinaPIBrazil Federal Rural University of Pernambuco Academic Unit of Cabo de Santo AgostinhoCabo de Santo AgostinhoPEBrazil Federal University of Piaui Department of PhysicTeresinaPBrazil Federal University of Pernambuco Graduate Program in Materials ScienceRecifePEBrazil University of Granma Departmentof Basic Sciences and Applied InformaticsFaculty of Technical SciencesBayamoCuba Federal University of Amazonas Department of PhysicManausAMBrazil Federal University of Pernambuco Department of PhysicRecifePEBrazil

coral-like structures of the Y_(3-x)Pr_(x)Fe_(5-y)Yb_(y)O_(12),(0.00 ≤ x ≤ 0.04, 0.00 ≤ y ≤ 0.02) compound were synthesized using the sol-gel method. Structural investigation certified the YIG cubic crystal structure formation, without any secondary phase. It is shown that, the relatively large ionic radius of the dopant cations results in an expansion of the lattice parameter, variations in the Iona-O-Iondangle, Iona-O,Iond-O and Ionc-O bond distances and decrease in the average crystallite size. Fourier transform infrared(FTIR) and Raman measurements are essential to testify the single-phase formation of YIG crystal structure and are observed changes in the stretching and vibrational modes, respectively. The morphological study, energy dispersive spectroscopy(EDS) spectra and textural properties show corallike structures, peaks associated with Pr^(3+) and Yb^(3+) atoms and the effect of dopants on surface area,diameter, and pore volume, respectively. The optical analysis from diffuse reflectance spectra witnessed an increase in the optical gap band, a decrease in Urbach energy and blue shift in the charge transfer,correlated with the expansion of the unit cell due to the dopant's insertion in the YIG structure. A typical ferrimagnetic behavior is exhibited by the Y_(3-x)Pr_(x)Fe_(5-y)Yb_(y)O_(12)compound. The saturation magnetization(M_(s)), cubic anisotropy constant(K_(1)) and coercive field(H_(c)) increase with the Pr^(3+)cations content, as consequence of their magnetic nature and distribution around of Fe^(3+)ions due to the coexistence with the Yb^(3+). Finally, for the first time, antibacterial tests by mean of the direct contact method were performed for YIG co-doped with Pr^(3+)and Yb^(3+)and it is shown that, relatively high dosages of Pr^(3+) cations favored the activity against S. aureus, therefore, a new biological property for YIG doped with rare earths is presented.

关键词： Yttrium iron garnet(YIG) coral-like structures Rare earths Band gap energy Magnetic properties Antimicrobial properties

Different no-till grain production systems with Urochloa *** soil microbial community structure,biomass and activity in a tropical Ultisol

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Soil Ecology Letters 2024年第1期6卷 119-129页

作者： Matheus Emannuel Oliveira Vieira Lucas Dantas Lopes France Mario costa Viviane Talamini edson Patto Pacheco Marcelo Ferreira Fernandes PPGAGRI Universidade Federal de SergipeAv.Marechal Rondons/n-49100-000-Sao CristovaoSEBrazil Embrapa coastal Tablelands Av Govemador Paulo Barreto de Menezesn°3250-49025-040-AracajuSEBrazil

Integrated grain cropping systems promote soil health(SH)and *** biomass and activity(MBA)and community structure(McS)are key to *** of maize with Urochloa pastures strongly impacts MBA and *** is more sensitive than McS to shifts in grain cropping *** under continuous Urochloa increased microbial activity and AMF *** soils are prone to *** of conservation agricultural practices is essential to improve soil health,which is influenced by soil *** this study we analyzed shifts in microbial biomass and activity(MBA)and microbial community structure(McS)based on fatty acid methyl esthers(FAMEs)between five no-till agricultural practices:maize monoculture(MM);maize annualy intercropped with Urochloa decumbens(M/Ud);M/Ud with soybean rotation every other year(M/Ud-S);M/Ud keeping the pasture for the next two years(M/Ud-Ud-Ud);and maize intercropped with *** keeping the pasture for the next two years(M/Ur-Ur-Ur).Results indicated that MBA was affected by the inclusion of Urochloa intercropping and by rotation with *** under a longer residence time with Urochloa in the field had higherβ-glucosidase activity and soil basal respiration,indicating a greater microbial *** was less affected than MBA by the investigated cropping *** changed only in the continuous pasture systems,which were enriched in arbuscular mycorrhyzal fungi(AMF).Additionally,the continuous pasture systems had lower microbial stress ratios than the other agricultural *** sum,our study showed that utilization of Urochloa *** longer periods in no-till agricultural practices contributes to increase microbial activity,AMF abundance and decrease microbial stress *** changes are primarily beneficial for soil health.

关键词： crop-pasture integration crop rotation no-tillage soil health microbial ecology

Effect of drug therapies on self-reported chemosensory outcomes after cOVID-19

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World Journal of Otorhinolaryngology-Head and Neck Surgery 2024年第2期10卷 88-96页

作者： Marco A.Fornazieri Bruno M.cunha Samuel P.Nicácio Lucas K.Anzolin JoséL.B.da Silva Aristides Fernandes neto Deusdedit Brandão neto Richard L.Voegels Fábio D.R.Pinna Department of Surgery Londrina State UniversityLondrinaBrazil Department of Medicine Pontifical Catholic University of ParanáLondrinaBrazil Department of Otorhinolaryngology University of São PauloSao PauloBrazil Department of Otorhinolaryngology:Head and Neck Surgery Perelman School of MedicineSmell and Taste CenterUniversity of PennsylvaniaPhiladelphiaPennsylvaniaUSA

Objective:The aim of this study was to assess the relative efficacy of medications used following severe acute respiratory syndrome coronavirus-2(SARS-coV-2)infection on self-reported alterations in taste and/or smell ***:Seven hundred and fourteen persons with self-reported postcoronavirus disease 2019(post-cOVID-19)chemosensory disorders were personally interviewed regarding specific medications they were administered following the acute phase of the *** dependent measure—self-reported total recovery of chemosensory symptoms—was subjected to stepwise logistic *** predictors included demographic and clinical variables,in addition to specific medications used to mitigate disease symptoms(i.e.,systemic corticosteroids,oseltamivir,vitamin c,ibuprofen,hydroxychloroquine,azithromycin,ivermectin,nitazoxanide,anticoagulants,and zinc).Results:The median time between cOVID-19 symptom onset and the interviews was 81 days(interquartile range:60-104).Of the 714 subjects,249(34.9%)reported total recovery of their chemosensory function;437(61.2%)had at least one treatment since the beginning of the *** and those with more comorbidities had undergone more *** recovery rates of the treated and nontreated groups did not differ ***,respondents who had used nitazoxanide tended to have a higher rate of self-reported taste or smell *** who took oral zinc were less likely to ***:No medication employed during the first months after SARS-coV-2 infection had a clear positive effect on returning self-reported smell or taste function to normal,although nitrazoxide trended in a positive *** zinc had a negative effect on the reported recovery of these senses.

关键词： chemosensory disorder coronavirus infections cOVID-19 drug therapy SARS-coV-2 smell loss taste loss

Percutaneous nephrostomy versus ureteral stent in hydronephrosis secondary to obstructive urolithiasis:A systematic review and meta-analysis

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Asian Journal of Urology 2024年第2期11卷 261-270页

作者： Andreia cardoso Aparício coutinho Gonçalo neto Sara Anacleto catarina Laranjo Tinoco Nuno Morais Mário cerqueira-Alves Estevão Lima Paulo Mota Department of Urology Hospital de BragaBragaPortugal School of Medicine University of MinhoBragaPortugal Association(2cA-Braga).School of Medicine University of MinhoBragaPortugal

Objective: To assess if there is a preferable intervention between retrograde ureteral stent (RUS) and percutaneous nephrostomy (PcN) tube, in cases of upper urinary tract stone obstruction with complications requiring urgent drainage, by evaluating outcomes regarding urinary symptoms, quality of life (QoL), spontaneous stone passage, and length of hospital stays, since there is no literature stating the superiority of one modality over the ***: We searched MEDLINE and other sources for relevant articles in June 2019 without any date restrictions or filters applied. The selection was done first by the title and abstract screening and then by full-text assessment for eligibility. Only randomized controlled trials or cohort studies in patients with hydronephrosis secondary to obstructive urolithiasis that presented comparative data between PcN and RUS placement concerning at least one of the defined outcome measures were included. Lastly, MEDLINE database and PubMed platform were screened again using the same terms, from June 2019 until November ***: Of 556 initial articles, seven were included in this review. Most works were considered of moderate-to-high quality. Three studies regarding QoL showed a tendency against stenting, even though only one demonstrated statistically significant negative impact on overall health state. Two works reported significantly more post-intervention urinary symptoms in stenting patients. One article found that PcN is a significant predictor of spontaneous stone passage, when adjusted for stone size and location. Findings on length of hospital stays were not consistent among ***: PcN appears to be the intervention better tolerated, with less impact on the patient’s perceived QoL and less post-operative urinary symptoms, in comparison with RUS. Nevertheless, further studies with larger samples and a randomized controlled design are suggested.

关键词： Ureteral stent Percutaneous nephrostomy Obstructive urolithiasis Urinary symptoms Quality of life

Extrahepatic cholestasis associated with paracoccidioidomycosis:challenges in the differential diagnosis of biliopancreatic neoplasia

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World Journal of Gastrointestinal Oncology 2024年第6期16卷 2531-2540页

作者： Jose Sebastiao dos Santos Vitor de Moura Arrais William Jose Rosseto Ferreira Ricardo Ribeiro correa Filho Mariangela Ottoboni Brunaldi Rafael Kemp Ajith Kumar Sankanrakutty Jorge Elias Junior Fernando Bellissimo-Rodrigues Roberto Martinez edson Zangiacomi Martinez Jose celso Ardengh Faculdade de Medicina de Ribeirao Preto da Universidade de Sao Paulo(FMRP-USP) Departamento de Cirurgia e AnatomiaRibeirao Preto 14049-900Sao PauloBrazil Universidade de Sao Paulo Faculdade de Medicina de Ribeirao Preto da Universidade de Sao Paulo(FMRP-USP)Departamento de PatologiaRibeirao Preto 14048900Sao PauloBrazil Universidade de Sao Paulo Faculdade de Medicina de Ribeirao Preto da Universidade de Sao Paulo(FMRP-USP)Departamento de Imagens MédicasHematologia e Oncologia ClínicaRibeirao Preto 14048900Sao PauloBrazil Universidade de Sao Paulo Faculdade de Medicina de Ribeirao Preto da Universidade de Sao Paulo(FMRP-USP)Departamento de Medicina SocialRibeirao Preto 14015-010Sao PauloBrazil Universidade de Sao Paulo Faculdade de Medicina de Ribeirao Preto da Universidade de Sao Paulo(FMRP-USP)Departamento de Clínica MédicaRibeirao Preto 14015-010Sao PauloBrazil Universidade de Sao Paulo Faculdade de Medicina de Ribeirao Preto da Universidade de Sao Paulo(FMRP-USP)Departamento de Cirurgia e AnatomiaRibeirao Preto 14049-900Sao PauloBrazil and Hospital MoriahServico de Endoscopia DigestivaSao Paulo 04084-002Sao PauloBrazil

BAcKGROUND Paracoccidioidomycosis(PcM)may involve the hepatic pedicle and peripan creatic lymph nodes,cause damage to the bile duct and manifest,exceptionally,in combination with extrahepatic cholestasis(EHc),making investigation and treatment *** To investigate the management of patients with visceral PcM admitted with *** All patients diagnosed with PcM treated in a public,tertiary teaching hospital between 1982 and 2020 were retrospectively *** also identified with EHc were allocated to two groups according to the treatment approach for the purpose of comparing clinical,laboratory,and imaging findings,resources used for etiological diagnosis,treatment results,and *** analyses were performed using the linear mixed-effects model(random and fixed effects),which was adjusted using the PROc MIXED procedure of the SAS®9.0 software,and Fisher’s exact *** Of 1645 patients diagnosed with PcM,40(2.4%)had *** these,20(50.0%)lived in the rural area and 29(72.5%)were men,with a mean age of 27.1 years(3-65 years).Jaundice as first symptom and weight loss of at least 10 kg were observed in 16 patients(40.0%),and a mass in the head of the pancreas was observed in 8(20.0%).The etiological diagnosis was made by tissue collection during surgery in 4 cases(10.0%)and by endoscopic methods in 3 cases(7.5%).Twenty-seven patients(67.5%)received drug treatment alone(Group 1),whereas 13(32.5%)underwent endoscopic and/or surgical procedures in combination with drug treatment(Group 2).EHc was significantly reduced in both groups(40.7% in Group 1,with a mean time of 3 months;and 38.4% in Group 2,with a mean time of 7.5 months),with no statistically significant difference between *** recurrence rates,associated mainly with treatment nonadherence,were similar in both groups:37% in Group 1 and 15.4% in Group *** mortality rate was 18.5% in Group 1 and 23% in Group 2,with survival estimates of 71.3% and 72.5%,respectively,with

关键词： cholestasis Jaundice Obstructive Blastomycosis Paracoccidioides Diagnosis Treatment

Evaluation of the Efficiency of the Magicramp^® Device for Reducing cramps Resulting from Oncological Treatments: “Double-Blind, Randomized clinical Trial”

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Open Journal of Preventive Medicine 2024年第5期14卷 110-130页

作者： Sodré Gonçalves de Brito neto Hector Lutero Honorato de Brito Siman Geraldo Silva Queiroz Free Multidisciplinary core of the Federal University of Goias (UFG) Goi&#226nia Brazil UNI-BH (Specializing in Molecular Biology and Statistics) Minas Gerais Brazil Araú jo Jorge Cancer Hospital ACCG Goi&#226nia Brazil

We identified that oncological treatments in general (chemotherapies, immunotherapies and radiotherapies) frequently cause peripheral neuropathy, including cramps, characterized by excess protons due to metabolic and neuronal factors, such as sudden changes in pH, uremia and aspects that affect neuromotor functions. Such situations and others like them are often neglected in treatment, which naturally concerns itself with the main problem: cancer. Sometimes toxic solutions are implemented that have comorbid side effects, such as duloxetine (standard treatment). Based on monitoring of cancer patients who used the non-toxic product, called “Magicramp® Electrostatic charge Reduction cushion” (MEcRc), approved in Europe more than 10 years ago, we carried out a controlled test in Brazil. In this clinical trial, we hypothesized that reducing excessive ionic charges (electrostatic charge), which is one of the side effects often described in the literature as “chemotherapy-Induced Peripheral Neuropathy” (cIPN), would decrease or eliminate cramping, under the hypothesis that such elimination would prevent or attenuate muscular vulnerability to action impulses, and increase the power of relaxation through the same mechanism. In this double-blind and randomized clinical trial, 40 (forty) adult patients with muscle cramps caused by oncological treatments were tested, evaluating the degree of efficiency of the product that aims to reduce muscle cramps, by eliminating and/or reducing excess loads electrostatic ionic. Data from the clinical research conducted in this study are available online at https://***/10.7910/DVN/QUS94U.

关键词： Muscle cramp Action Potentials Antineoplastic combined chemotherapy Protocols