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1.
Molecules ; 26(12)2021 Jun 08.
Artigo em Inglês | MEDLINE | ID: mdl-34201126

RESUMO

Complexes of atomic gold with a variety of ligands have been formed by passing helium nanodroplets (HNDs) through two pickup cells containing gold vapor and the vapor of another dopant, namely a rare gas, a diatomic molecule (H2, N2, O2, I2, P2), or various polyatomic molecules (H2O, CO2, SF6, C6H6, adamantane, imidazole, dicyclopentadiene, and fullerene). The doped HNDs were irradiated by electrons; ensuing cations were identified in a high-resolution mass spectrometer. Anions were detected for benzene, dicyclopentadiene, and fullerene. For most ligands L, the abundance distribution of AuLn+ versus size n displays a remarkable enhancement at n = 2. The propensity towards bis-ligand formation is attributed to the formation of covalent bonds in Au+L2 which adopt a dumbbell structure, L-Au+-L, as previously found for L = Xe and C60. Another interesting observation is the effect of gold on the degree of ionization-induced intramolecular fragmentation. For most systems gold enhances the fragmentation, i.e., intramolecular fragmentation in AuLn+ is larger than in pure Ln+. Hydrogen, on the other hand, behaves differently, as intramolecular fragmentation in Au(H2)n+ is weaker than in pure (H2)n+ by an order of magnitude.

2.
Rev. Fac. Odontol. Porto Alegre ; 61(2): 50-63, jul-dez. 2020.
Artigo em Inglês | LILACS, BBO - Odontologia | ID: biblio-1281698

RESUMO

Objetivo: Este ensaio clínico randomizado avaliou o comportamento de restaurações com resina composta bulk-fill flow em dentes posteriores após três anos do tratamento restaurador. Métodos: Dezessete pacientes (12 mulheres, 5 homens, idade 23-59) foram selecionados para ter pelo menos duas restaurações de amálgama ou de resina composta substituídas, ou receber tratamento restaurador para lesão cariosa. As cavidades foram aleatoriamente alocadas para receberem o compósito bulk-fill flow Suferil SDR Flow, oclusamente coberto por uma resina composta convencional nano-híbrida Esthet-X HD (técnica bulk and body), ou serem preenchidas exclusivamente com Esthet-X HD, inseridas em incrementos de 2mm cada técnica incremental). Um adesivo convencional de dois passos foi aplicado em todas as cavidades. Trinta e quatro restaurações Classes I ou II foram realizados em dentes posteriores (n=17) no início do estudo (baseline). Após 03 anos, os critérios do USPHS modificado e FDI foram utilizados para avaliar as restaurações. Os dados foram submetidos à análise estatística Mann-Whitney (p<0,05). Resultados: No acompanhamento de 3 anos, vinte e quatro restaurações (17 Classes I e 7 Classes II) foram avaliadas. Não foram detectadas diferenças entre as técnicas restauradoras (p>0,05). Não houve falha em nenhuma restauração ao longo do tempo. Conclusão: Após 03 anos de serviço clínico, todas restaurações utilizando um compósito bulk-fill flow em dentes posteriores demonstraram uma performance satisfatória. Significância Clínica: A qualidade geral das restaurações em dentes posteriores realizadas com a técnica bulk and body foi similar ao das restaurações incrementais utilizando um compósito nano-híbrido. (AU)


Objective: This randomized clinical trial evaluated the behavior of restorations with flowable bulk-fill resin composite in posterior teeth three years after the restorative treatment. Methods: Seventeen patients (12 women, 5 men, age 23-59) were selected to have at least two failing amalgam or resin restorations replaced and/or to have a carious lesion restored. The cavities were randomly allocated to receive either the flowable bulk-fill composite Surefil SDR Flow occlusally covered with the conventional nano-hybrid composite Esthet-X HD (bulk and body technique) or filled exclusively with Esthet-X HD placed in 2 mm increments (incremental technique). A two-step etch-and-rinse adhesive was applied in all cavities. Thirty-four Class I or II restorations were performed in posterior teeth (n=17) during baseline. After 03 years, modified USPHS and FDI criteria were used to evaluate the restorations. Data were subjected to Mann-Whitney statistical analysis (p<0.05). Results: At the 3-year follow-up, twenty-four restorations (17 Class I and 7 Class II) were evaluated. No diff erences were detected between the bulk and body and the incremental restorations (p>0.05). No restoration failures were observed over time. Conclusion: After 03 years of clinical service, all restorations using a flowable bulk-fill composite in posterior teeth showed an acceptable performance. Clinical Significance: The overall quality of posterior restorations made with the bulk and body technique was similar to that of restorations made with a nano-hybrid composite incrementally placed. (AU)


Assuntos
Humanos , Masculino , Feminino , Adulto , Pessoa de Meia-Idade , Adulto Jovem , Resinas Compostas , Restauração Dentária Permanente/métodos , Dente Pré-Molar , Método Duplo-Cego , Seguimentos , Estatísticas não Paramétricas , Dente Molar
3.
J Phys Chem A ; 123(44): 9505-9513, 2019 Nov 07.
Artigo em Inglês | MEDLINE | ID: mdl-31621319

RESUMO

High-resolution mass spectra of helium droplets doped with gold and ionized by electrons reveal HenAu+ cluster ions. Additional doping with heavy noble gases results in NenAu+, ArnAu+, KrnAu+, and XenAu+ cluster ions. The high stability predicted for covalently bonded Ar2Au+, Kr2Au+, and Xe2Au+ is reflected in their relatively high abundance. Surprisingly, the abundance of Ne2Au+, which is predicted to have zero covalent bonding character and no enhanced stability, features a local maximum, too. The predicted size and structure of complete solvation shells surrounding ions with essentially nondirectional bonding depends primarily on the ratio σ* of the ion-ligand versus the ligand-ligand distance. For Au+ solvated in helium and neon, the ratio σ* is slightly below 1, favoring icosahedral packing in agreement with a maximum observed in the corresponding abundance distributions at n = 12. HenAu+ appears to adopt two additional solvation shells of Ih symmetry, containing 20 and 12 atoms, respectively. For ArnAu+, with σ* ≈ 0.67, one would expect a solvation shell of octahedral symmetry, in agreement with an enhanced ion abundance at n = 6. Another anomaly in the ion abundance at Ar9Au+ matches a local maximum in its computed dissociation energy.

4.
J. bras. econ. saúde (Impr.) ; 11(2): 112-118, Agosto/2019.
Artigo em Português | ECOS, LILACS | ID: biblio-1021040

RESUMO

Objetivo: Determinar a factibilidade econômica da técnica de cateterismo central em veia jugular interna guiada pelo ultrassom comparado à técnica-padrão, sob a perspectiva pagadora do Sistema Único de Saúde brasileiro. Métodos: Análise de custo-efetividade utilizando modelo de árvore de decisão sob uma população de pacientes adultos em um cenário de uma unidade terciária. Os custos diretos dos materiais e procedimentos foram estimados utilizando bancos de registros de compras nacionais. Os desfechos foram a ocorrência ou não da punção arterial acidental grave (principal complicação associada ao sítio de punção). Também foram conduzidas análises de sensibilidade determinística e probabilística, bem como curva de aceitabilidade. Resultados: A intervenção onerou o modelo em R$ 53,81. A razão de custo-efetividade incremental calculada foi de R$ 17.936,66 por complicação grave evitada e a curva de aceitabilidade evidenciou que a técnica é custo-efetiva sob uma intenção de pagar de R$ 18.125,00. Na análise de sensibilidade probabilística, 63,6% das simulações mostraram-se custo-efetivas. Conclusão: A intervenção é custo-efetiva, contribuindo para a redução das complicações graves, e o resultado pode proporcionar segurança para tomadas de decisões quanto à padronização do uso da ultrassonografia como orientador do procedimento.


Objective: To determine the economic feasibility of the central catheterization technique in the internal jugular vein guided by the ultrasound compared to the standard technique, under the perspective of the Brazilian Unified Health System. Methods: Cost-effectiveness analysis using decision tree model under a population of adult patients in a tertiary unit scenario. The direct costs of the materials and procedures were estimated using banks of national procurement records. The outcomes were the occurrence or not of severe accidental arterial puncture (the main complication associated with the puncture site). Analyzes of deterministic and probabilistic sensitivity were also conducted, as well as acceptability curve. Results: The intervention cost the model in R$ 53.81. The calculated incremental cost-effectiveness ratio was R$ 17,936.66 due to a serious complication avoided and the acceptability curve showed that the technique is cost-effective under an intention to pay R$ 18,125.00. In the probabilistic sensitivity analysis, 63.6% of the simulations were cost-effective. Conclusion: The intervention is cost-effective, contributing to the reduction of severe complications and the result can provide security for decision making regarding the standardization of the use of ultrasonography as a guideline of the procedure


Assuntos
Humanos , Cateterismo Venoso Central , Ultrassonografia de Intervenção , Análise de Custo-Efetividade , Veias Jugulares
5.
J Am Soc Mass Spectrom ; 30(10): 1906-1913, 2019 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-31168747

RESUMO

We report the mass spectrometric detection of hydrogenated gold clusters ionized by electron transfer and proton transfer. The cations appear after the pickup of hydrogen molecules and gold atoms by helium nanodroplets (HNDs) near zero K and subsequent exposure to electron impact. We focus on the size distributions of the gold cluster cations and their hydrogen content, the electron energy dependence of the ion yield, patterns of hydrogenated gold cluster cation stability, and the presence of "magic" clusters. Ab initio molecular orbital calculations were performed to provide insight into ionization energies and proton affinities of gold clusters as well as into molecular hydrogen affinities of the ionized and protonated gold cluster cations.

6.
J Phys Chem A ; 123(21): 4599-4608, 2019 May 30.
Artigo em Inglês | MEDLINE | ID: mdl-31062979

RESUMO

We have doped helium nanodroplets with C60 and either gold or copper. Positively or negatively charged (C60) mM n± ions (M = Au or Cu) containing up to ≈10 fullerenes and ≈20 metal atoms are formed by electron ionization. The abundance distributions extracted from high-resolution mass spectra reveal several local anomalies. The sizes of the four most stable (C60) mAu n± ions identified in previous calculations for small values of m and n ( m ≤ 2 and n ≤ 2, or m = 1 and n = 3) agree with local maxima in the abundance distributions. Our data suggest the existence of several other relatively stable ions including (C60)2Au3± and (C60)3Au4-. Another feature, namely the absence of bare (C60)2±, confirms the prediction that (C60)2M± dissociates by loss of C60± rather than loss of M. The experimental data also reveal the preference for loss of (charged or neutral) C60 over loss of a metal atom from some larger species such as (C60)3M3+. In contrast to these similarities between Au and Cu, the abundance distributions of (C60)3Au n- and (C60)3Cu n- are markedly different. In this discussion, we emphasize the similarities and differences between anions and cations, and between gold and copper. Also noteworthy is the observation of dianions (C60) mAu n2- for m = 2, 4, and 6.

7.
Faraday Discuss ; 217(0): 276-289, 2019 Jul 18.
Artigo em Inglês | MEDLINE | ID: mdl-30993270

RESUMO

Helium tagging in action spectroscopy is an efficient method for measuring the absorption spectra of complex molecular ions with minimal perturbations to the gas phase spectra. We have used superfluid helium nanodroplets doped with corannulene to prepare cations of these molecules complexed with different numbers of He atoms. In total we identify 13 different absorption bands from corannulene cations between 5500 Å and 6000 Å. The He atoms cause a small, chemically induced redshift of the band positions of the corannulene ion. By studying this effect as a function of the number of solvating atoms we are able to identify the formation of solvation structures that are not visible in the mass spectrum. The solvation features detected using action spectroscopy agree very well with the results of atomistic modeling based on path-integral molecular dynamics simulations. By additionally doping our He droplets with D2, we produce protonated corannulene ions. The absorption spectrum of these ions differs significantly from the case of the radical cations as the numerous narrow bands are replaced by a broad absorption feature that spans nearly 2000 Å in width.

8.
J Chem Phys ; 150(15): 154304, 2019 Apr 21.
Artigo em Inglês | MEDLINE | ID: mdl-31005067

RESUMO

Solvation of Cs+ ions inside helium droplets has been investigated both experimentally and theoretically. On the one hand, mass spectra of doped helium clusters ionized with a crossed electron beam, HeNCs+, have been recorded for sizes up to N = 60. The analysis of the ratio between the observed peaks for each size N reveals evidences of the closure of the first solvation shell when 17 He atoms surround the alkali ion. On the other hand, we have obtained energies and geometrical structures of the title clusters by means of basin-hopping, diffusion Monte Carlo (DMC), and path integral Monte Carlo (PIMC) methods. The analytical He-Cs+ interaction potential employed in our calculations is represented by the improved Lennard-Jones expression optimized on high level ab initio energies. The weakness of the existing interaction between helium and Cs+ in comparison with some other alkali ions such as Li+ is found to play a crucial role. Our theoretical findings confirm that the first solvation layer is completed at N = 17 and both evaporation and second difference energies obtained with the PIMC calculation seem to reproduce a feature observed at N = 12 for the experimental ion abundance. The analysis of the DMC probability distributions reveals the important contribution from the icosahedral structure to the overall configuration for He12Cs+.

9.
Phys Chem Chem Phys ; 20(33): 21573-21579, 2018 Aug 22.
Artigo em Inglês | MEDLINE | ID: mdl-30095137

RESUMO

We report an experimental study of water clusters as guests in interactions with clusters of adamantane (Ad) as hosts that occur in doped helium droplets at extremely low temperatures. Separate experiments with pure water as dopant showed ready formation of a distribution of water clusters (H2O)mH+ that peaks at m = 11 and extends beyond m = 100 with local maxima at m = 4, 11, 21, 28 and 30 with (H2O)21H+ being the most anomalous and showing the greatest stability with respect to clusters immediately adjacent in water content. When adamantane is also added as a dopant, extensive hydration is seen in the formation of water/adamantane clusters, (H2O)mAdn+; magic number clusters (H2O)21Adn+ are seen for all the adamantane clusters. Other magic numbers for water clusters attached to adamantane, (H2O)mAdn+, are as for pristine protonated water, with m = 28 and m = 30. The icosahedral shell closure of pure adamantane at n = 13 and 19 appears to be preserved with (H2O)21 replacing one adamantane. (H2O)21Ad12+ and (H2O)21Ad18+ stand out in intensity and demonstrate the interplay of magic number water clusters with magic number adamantane clusters, observed perhaps for the first time in gas-phase cluster chemistry. There was no clear evidence for the formation of clathrate hydrates in which adamantane is trapped within structured water.

10.
J Chem Phys ; 148(17): 174303, 2018 May 07.
Artigo em Inglês | MEDLINE | ID: mdl-29739220

RESUMO

The smallest doubly charged coronene cluster ions reported so far, Cor152+, were produced by charge exchange between bare coronene clusters and He2+ [H. A. B. Johansson et al., Phys. Rev. A 84, 043201 (2011)]. These dications are at least five times larger than the estimated Rayleigh limit, i.e., the size at which the activation barrier for charge separation vanishes. Such a large discrepancy is unheard of for doubly charged atomic or molecular clusters. Here we report the mass spectrometric observation of doubly charged coronene trimers, produced by electron ionization of helium nanodroplets doped with coronene. The observation implies that Cor32+ features a non-zero fission barrier too large to overcome under the present experimental conditions. The height of the barriers for the dimer and trimer has been estimated by means of density functional theory calculations. A sizeable barrier for the trimer has been revealed in agreement with the experimental findings.

11.
J Phys Chem Lett ; 9(10): 2703-2706, 2018 May 17.
Artigo em Inglês | MEDLINE | ID: mdl-29722981

RESUMO

Ionic complexes between gold and C60 have been observed for the first time. Cations and anions of the type [Au(C60)2]+/- are shown to have particular stability. Calculations suggest that these ions adopt a C60-Au-C60 sandwich-like (dumbbell) structure, which is reminiscent of [XAuX]+/- ions previously observed for much smaller ligands. The [Au(C60)2]+/- ions can be regarded as Au(I) complexes, regardless of whether the net charge is positive or negative, but in both cases, the charge transfer between the Au and C60 is incomplete, most likely because of a covalent contribution to the Au-C60 binding. The C60-Au-C60 dumbbell structure represents a new architecture in fullerene chemistry that might be replicable in synthetic nanostructures.

12.
Phys Chem Chem Phys ; 20(11): 7739-7745, 2018 Mar 14.
Artigo em Inglês | MEDLINE | ID: mdl-29498720

RESUMO

We have studied complexes of gold atoms and imidazole (C3N2H4, abbreviated Im) produced in helium nanodroplets. Following the ionization of the doped droplets we detect a broad range of different AumImn+ complexes, however we find that for specific values of m certain n are "magic" and thus particularly abundant. Our density functional theory calculations indicate that these abundant clusters sizes are partially the result of particularly stable complexes, e.g. AuIm2+, and partially due to a transition in fragmentation patterns from the loss of neutral imidazole molecules for large systems to the loss of neutral gold atoms for smaller systems.

13.
Phys Chem Chem Phys ; 20(14): 9554-9560, 2018 Apr 04.
Artigo em Inglês | MEDLINE | ID: mdl-29577136

RESUMO

Adducts formed between small gold cluster cations and helium atoms are reported for the first time. These binary ions, Aun+Hem, were produced by electron ionization of helium nanodroplets doped with neutral gold clusters and were detected using mass spectrometry. For a given value of n, the distribution of ions as a function of the number of added helium atoms, m, has been recorded. Peaks with anomalously high intensities, corresponding to so-called magic number ions, are identified and interpreted in terms of the geometric structures of the underlying Aun+ ions. These features can be accounted for by planar structures for Aun+ ions with n ≤ 7, with the addition of helium having no significant effect on the structures of the underlying gold cluster ions. According to ion mobility studies and some theoretical predictions, a 3-D structure is expected for Au8+. However, the findings for Au8+ in this work are more consistent with a planar structure.

14.
Int J Esthet Dent ; 13(1): 86-97, 2018.
Artigo em Inglês | MEDLINE | ID: mdl-29379905

RESUMO

PURPOSE: The aim of this study was to evaluate the effect of preheating composite resins used as luting agents for indirect restorations on microtensile bond strength (µTBS) and adhesive interfaces. MATERIAL AND METHODS: Fifty sound extracted third molars were used. Ten experimental groups were formed with three different luting agents: one resin cement (RelyX ARC) and two composite resins (Venus and Z250 XT). The composite resins were tested both at room temperature and when preheated to 64°C. Restoration depth was tested using 2 or 4 mm-height indirect composite resin restorations, previously made on cylindrical molds. Adhesive and luting procedures were done under simulated pulpal pressure. After luting, the teeth were sectioned into beams with a cross-sectional area of 1 mm2 at the bonded interface, and tested in tension at 0.5 mm/min. The characteristics of the adhesive interfaces were observed under scanning electron microscopy (SEM). The µTBS data were analyzed using ANOVA and the Tukey test (α = 0.05). RESULTS: When luting 2 mm restorations, the composite resin Z250 XT, preheated or at room temperature, achieved significantly higher µTBS than did RelyX ARC. At this depth, Venus did not differ from the resin cement, and with the 4 mm restorations, only preheated Venus presented significantly higher µTBS than RelyX ARC. Preheating the composite resin resulted in thinner luting interfaces, with a more intimate interaction between luting agent and adhesive layer. CONCLUSION: Preheating composite resin for luting procedures may not improve µTBS, although it could be used to reduce material viscosity and improve restoration setting.


Assuntos
Resinas Compostas/química , Colagem Dentária/métodos , Cimentos Dentários/química , Restauração Dentária Permanente/métodos , Bis-Fenol A-Glicidil Metacrilato , Análise do Estresse Dentário , Temperatura Alta , Humanos , Técnicas In Vitro , Teste de Materiais , Microscopia Eletrônica de Varredura , Dente Serotino , Polietilenoglicóis , Ácidos Polimetacrílicos , Propriedades de Superfície , Resistência à Tração
15.
J Appl Oral Sci ; 26: e20170053, 2018 Jan 18.
Artigo em Inglês | MEDLINE | ID: mdl-29364339

RESUMO

To evaluate the effect of erosive challenges on the tooth- restoration interface of deciduous teeth treated with different adhesive protocols. Deciduous molars were cut mesiodistally, then embedded, abraded and polished (n=80). Samples were randomly divided according to the adhesive system used into: G1 (Adper Single Bond2®, etch-and-rinse), G2 (Universal Single Bond®, self-etching), G3 (OptibondFL®, etch-and-rinse with Fluoride) and G4 (BondForce®, self-etching with Fluoride). After standardized cavity preparation (2 mm diameter x 2 mm depth), adhesive systems were applied and samples were restored (composite resin Z350®). Half of the samples were exposed to erosive/abrasive cycles (n = 10, each adhesive group), and the other half (control group; n = 10) remained immersed in artificial saliva. For microleakage analysis, samples were submersed in methylene blue and analyzed at 40x magnifications. Cross-sectional microhardness (CSMH) was carried out (50 g/5 s) at 25 µm, 50 µm, and 100 µm from the eroded surface and at 25 µm, 75 µm, and 125 µm from the enamel bond interface. Regarding microleakage, 7.5% of the samples showed no dye infiltration, 30% showed dye infiltration only at the enamel interface, and 62.5% showed dye infiltration through the dentin-enamel junction, with no difference between groups (p≥0.05). No significant difference was observed in CSMH at different depths (two-way ANOVA, p≥0.05). We did not observe significant changes in microleakage or CSMH after erosive/abrasive challenges in deciduous teeth treated with different adhesive protocols (etch-and-rinse and self-etching adhesives, with and without fluoride).


Assuntos
Bis-Fenol A-Glicidil Metacrilato/química , Resinas Compostas/química , Cimentos Dentários/química , Cimentos de Resina/química , Erosão Dentária/etiologia , Dente Decíduo/química , Análise de Variância , Esmalte Dentário/química , Esmalte Dentário/efeitos dos fármacos , Infiltração Dentária/etiologia , Dentina/química , Dentina/efeitos dos fármacos , Fluoretos/química , Testes de Dureza , Humanos , Teste de Materiais , Distribuição Aleatória , Valores de Referência , Reprodutibilidade dos Testes , Saliva Artificial/química , Estatísticas não Paramétricas , Propriedades de Superfície , Dente Decíduo/efeitos dos fármacos
16.
J. appl. oral sci ; 26: e20170053, 2018. tab, graf
Artigo em Inglês | LILACS, BBO - Odontologia | ID: biblio-893684

RESUMO

ABSTRACT Objective: To evaluate the effect of erosive challenges on the tooth- restoration interface of deciduous teeth treated with different adhesive protocols. Material and Methods: Deciduous molars were cut mesiodistally, then embedded, abraded and polished (n=80). Samples were randomly divided according to the adhesive system used into: G1 (Adper Single Bond2®, etch-and-rinse), G2 (Universal Single Bond®, self-etching), G3 (OptibondFL®, etch-and-rinse with Fluoride) and G4 (BondForce®, self-etching with Fluoride). After standardized cavity preparation (2 mm diameter x 2 mm depth), adhesive systems were applied and samples were restored (composite resin Z350®). Half of the samples were exposed to erosive/abrasive cycles (n = 10, each adhesive group), and the other half (control group; n = 10) remained immersed in artificial saliva. For microleakage analysis, samples were submersed in methylene blue and analyzed at 40x magnifications. Cross-sectional microhardness (CSMH) was carried out (50 g/5 s) at 25 μm, 50 μm, and 100 μm from the eroded surface and at 25 μm, 75 μm, and 125 μm from the enamel bond interface. Results: Regarding microleakage, 7.5% of the samples showed no dye infiltration, 30% showed dye infiltration only at the enamel interface, and 62.5% showed dye infiltration through the dentin-enamel junction, with no difference between groups (p≥0.05). No significant difference was observed in CSMH at different depths (two-way ANOVA, p≥0.05). Conclusions: We did not observe significant changes in microleakage or CSMH after erosive/abrasive challenges in deciduous teeth treated with different adhesive protocols (etch-and-rinse and self-etching adhesives, with and without fluoride).


Assuntos
Humanos , Dente Decíduo/química , Erosão Dentária/etiologia , Bis-Fenol A-Glicidil Metacrilato/química , Resinas Compostas/química , Cimentos de Resina/química , Cimentos Dentários/química , Valores de Referência , Saliva Artificial/química , Propriedades de Superfície , Dente Decíduo/efeitos dos fármacos , Teste de Materiais , Distribuição Aleatória , Reprodutibilidade dos Testes , Análise de Variância , Estatísticas não Paramétricas , Esmalte Dentário/efeitos dos fármacos , Esmalte Dentário/química , Infiltração Dentária/etiologia , Dentina/efeitos dos fármacos , Dentina/química , Fluoretos/química , Testes de Dureza
17.
Phys Chem Chem Phys ; 19(41): 27968-27973, 2017 Oct 25.
Artigo em Inglês | MEDLINE | ID: mdl-29022968

RESUMO

Mass spectra of helium nanodroplets doped with H2 and coronene feature anomalies in the ion abundance that reveal anomalies in the energetics of adsorption sites. The coronene monomer ion strongly adsorbs up to n = 38 H2 molecules indicating a commensurate solvation shell that preserves the D6h symmetry of the substrate. No such feature is seen in the abundance of the coronene dimer through tetramer complexed with H2; this observation rules out a vertical columnar structure. Instead we see evidence for a columnar structure in which adjacent coronenes are displaced in parallel, forming terraces that offer additional strong adsorption sites. The experimental value for the number of adsorption sites per terrace, approximately six, barely depends on the number of coronene molecules. The displacement estimated from this number exceeds the value reported in several theoretical studies of the bare, neutral coronene dimer.

18.
J Phys Chem C Nanomater Interfaces ; 121(20): 10817-10823, 2017 May 25.
Artigo em Inglês | MEDLINE | ID: mdl-28572870

RESUMO

We report on the formation and ionization of cesium and C60Cs clusters in superfluid helium nanodroplets. Size distributions of positively and negatively charged (C60) m Cs n± ions have been measured for m ≤ 7, n ≤ 12. Reproducible intensity anomalies are observed in high-resolution mass spectra. For both charge states, (C60) m Cs3± and (C60) m Cs5± are particularly abundant, with little dependence on the value of m. Distributions of bare cesium cluster ions also indicate enhanced stability of Cs3± and Cs5±, in agreement with theoretical predictions. These findings contrast with earlier reports on highly Cs-doped cationic fullerene aggregates which showed enhanced stability of C60Cs6 building blocks attributed to charge transfer. The dependence of the (C60) m Cs3- anion yield on electron energy shows a resonance that, surprisingly, oscillates in strength as m increases from 1 to 6.

19.
Rev. AMRIGS ; 60(4): 337-341, out.-dez. 2016. tab, graf
Artigo em Português | LILACS | ID: biblio-847780

RESUMO

Introdução: O acesso venoso é um procedimento elementar e essencial tanto no atendimento hospitalar quanto no ambulatorial. Tal relevância pode ser destacada na assistência médica de pacientes oncológicos, na qual cateteres venosos para acesso central são utilizados com alta frequência. O objetivo deste trabalho é analisar a utilização de cateteres venosos centrais de curta permanência em uma unidade oncológica, visando identificar o perfil epidemiológico dos pacientes, aspectos relacionados à punção e suas complicações. Método: Foi realizado um estudo retrospectivo, transversal, observacional e analítico. Os dados foram coletados com informações de prontuários de pacientes admitidos em uma Unidade de Transplante de Medula Óssea, durante 1º de julho de 2013 a 30 de julho de 2014. Resultados: Foram analisados 174 acessos venosos centrais com cateter de curta permanência, em 119 pacientes. A idade média foi de 46,2 anos, com prevalência semelhante entre gêneros. Os principais diagnósticos foram mieloma múltiplo (36,97%) e linfoma não hodgkin (33,61%). A veia femoral direita foi o local de escolha em 56,90% dos casos e o cateter venoso central calibroso foi utilizado em 76,44% das punções. As complicações relacionadas à punção ocorreram em 13 casos (7,47%), sendo o hematoma (92,3%) a mais representativa; e as relacionados à presença do cateter em 25 (14,37%), sendo a suspeita clínica de infecção (76,0%) a principal. Conclusão: O cateter venoso central de curta permanência se mostrou um método seguro para utilização de rotina em pacientes com neoplasias hematológicas (AU)


Introduction: Venous access is an elementary and essential procedure in both hospital and outpatient care. Such relevance can be highlighted in the medical care of cancer patients, in which central access venous catheters are used with high frequency. The aim of this study is to analyze the use of short-term central venous catheters in an oncologic unit, aiming to identify the epidemiological profile of the patients, aspects related to the puncture and its complications. Method: A retrospective, transversal, observational and analytical study was carried out. Data were collected from records of patients admitted to a Bone Marrow Transplant Unit, from July 1, 2013 to June 30, 2014. Results: A total of 174 central venous accesses with a short-term catheter were analyzed in 119 patients. The mean age was 46.2 years, with a similar prevalence between genders. The main diagnoses were multiple myeloma (36.97%) and NonHodgkin lymphoma (33.61%). The right femoral vein was the site of choice in 56.90% of the cases and central venous catheter was used in 76.44% of the punctures. Puncture-related complications occurred in 13 cases (7.47%), with hematoma (92.3%) being the most representative one, and those related to the presence of the catheter in 25 (14.37%), with clinical suspicion of infection (76.0%) being the main one. Conclusion: Short-term central venous catheter has proven to be a safe method for routine use in patients with hematological malignancies (AU)


Assuntos
Humanos , Masculino , Feminino , Adolescente , Adulto , Pessoa de Meia-Idade , Idoso , Infecções Relacionadas a Cateter/epidemiologia , Cateteres Venosos Centrais/estatística & dados numéricos , Infecção Hospitalar/etiologia , Transplante de Medula Óssea/estatística & dados numéricos
20.
PLoS One ; 9(10): e108966, 2014.
Artigo em Inglês | MEDLINE | ID: mdl-25302806

RESUMO

OBJECTIVES: The study performs a cost-effectiveness analysis of procedures for atrial septal defects occlusion, comparing conventional surgery to septal percutaneous implant. METHODS: A model of analytical decision was structured with symmetric branches to estimate cost-effectiveness ratio between the procedures. The decision tree model was based on evidences gathered through meta-analysis of literature, and validated by a panel of specialists. The lower number of surgical procedures performed for atrial septal defects occlusion at each branch was considered as the effectiveness outcome. Direct medical costs and probabilities for each event were inserted in the model using data available from Brazilian public sector database system and information extracted from the literature review, using micro-costing technique. Sensitivity analysis included price variations of percutaneous implant. RESULTS: The results obtained from the decision model demonstrated that the percutaneous implant was more cost effective in cost-effectiveness analysis at a cost of US$8,936.34 with a reduction in the probability of surgery occurrence in 93% of the cases. Probability of atrial septal communication occlusion and cost of the implant are the determinant factors of cost-effectiveness ratio. CONCLUSIONS: The proposal of a decision model seeks to fill a void in the academic literature. The decision model proposed includes the outcomes that present major impact in relation to the overall costs of the procedure. The atrial septal defects occlusion using percutaneous implant reduces the physical and psychological distress to the patients in relation to the conventional surgery, which represent intangible costs in the context of economic evaluation.


Assuntos
Septo Interatrial/cirurgia , Comunicação Interatrial/economia , Comunicação Interatrial/cirurgia , Próteses e Implantes/economia , Brasil , Análise Custo-Benefício , Técnicas de Apoio para a Decisão , Comunicação Interatrial/terapia , Humanos
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