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1.
Artigo em Inglês | MEDLINE | ID: mdl-38852934

RESUMO

In Riociguat rEplacing PDE5i therapy evaLuated Against Continued PDE5i thErapy (REPLACE) (NCT02891850), improvements in risk status were observed in patients with pulmonary arterial hypertension (PAH) at intermediate risk switching to riociguat versus continuing phosphodiesterase-5 inhibitors (PDE5i). This post hoc study applied the Registry to Evaluate Early and Long-Term PAH Disease Management (REVEAL) Lite 2 and Comparative Prospective Registry of Newly Initiated Therapies for Pulmonary (COMPERA) 2.0 risk-assessment tools to REPLACE to investigate the impact of baseline risk status on clinical improvement. The proportions of riociguat- and PDE5i-treated patients achieving the primary end-point at REVEAL Lite 2 low, intermediate, and high baseline risk reflected the overall population. Proportions of riociguat-treated patients achieving the primary end-point were comparable between the COMPERA 2.0 intermediate-low risk (39%) and intermediate-high risk (43%) groups. Our findings show that patients in REPLACE achieved clinical improvement by switching from PDE5i to riociguat across all COMPERA 2.0 and most REVEAL Lite 2 baseline risk strata.

2.
JAMA Cardiol ; 9(2): 105-113, 2024 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-38055237

RESUMO

Importance: Readmissions after an index heart failure (HF) hospitalization are a major contemporary health care problem. Objective: To evaluate the feasibility and efficacy of an intensive telemonitoring strategy in the vulnerable period after an HF hospitalization. Design, Setting, and Participants: This randomized clinical trial was conducted in 30 HF clinics in Brazil. Patients with left ventricular ejection fraction less than 40% and access to mobile phones were enrolled up to 30 days after an HF admission. Data were collected from July 2019 to July 2022. Intervention: Participants were randomly assigned to a telemonitoring strategy or standard care. The telemonitoring group received 4 daily short message service text messages to optimize self-care, active engagement, and early intervention. Red flags based on feedback messages triggered automatic diuretic adjustment and/or a telephone call from the health care team. Main Outcomes and Measures: The primary end point was change in N-terminal pro-brain natriuretic peptide (NT-proBNP) from baseline to 180 days. A hierarchical win-ratio analysis incorporating blindly adjudicated clinical events (cardiovascular deaths and HF hospitalization) and variation in NT-proBNP was also performed. Results: Of 699 included patients, 460 (65.8%) were male, and the mean (SD) age was 61.2 (14.5) years. A total of 352 patients were randomly assigned to the telemonitoring strategy and 347 to standard care. Satisfaction with the telemonitoring strategy was excellent (net promoting score at 180 days, 78.5). HF self-care increased significantly in the telemonitoring group compared with the standard care group (score difference at 30 days, -2.21; 95% CI, -3.67 to -0.74; P = .001; score difference at 180 days, -2.08; 95% CI, -3.59 to -0.57; P = .004). Variation of NT-proBNP was similar in the telemonitoring group compared with the standard care group (telemonitoring: baseline, 2593 pg/mL; 95% CI, 2314-2923; 180 days, 1313 pg/mL; 95% CI, 1117-1543; standard care: baseline, 2396 pg/mL; 95% CI, 2122-2721; 180 days, 1319 pg/mL; 95% CI, 1114-1564; ratio of change, 0.92; 95% CI, 0.77-1.11; P = .39). Hierarchical analysis of the composite outcome demonstrated a similar number of wins in both groups (telemonitoring, 49 883 of 122 144 comparisons [40.8%]; standard care, 48 034 of 122 144 comparisons [39.3%]; win ratio, 1.04; 95% CI, 0.86-1.26). Conclusions and Relevance: An intensive telemonitoring strategy applied in the vulnerable period after an HF admission was feasible, well-accepted, and increased scores of HF self-care but did not translate to reductions in NT-proBNP levels nor improvement in a composite hierarchical clinical outcome. Trial Registration: ClinicalTrials.gov Identifier: NCT04062461.


Assuntos
Insuficiência Cardíaca , Envio de Mensagens de Texto , Humanos , Masculino , Pessoa de Meia-Idade , Feminino , Volume Sistólico , Função Ventricular Esquerda , Insuficiência Cardíaca/terapia , Hospitalização
3.
PeerJ ; 11: e15731, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-37601267

RESUMO

Marine biofouling is a natural process by which many organisms colonize and grow in submerged structures, causing serious economic consequences for the maritime industry. Geniculate calcareous algae (GCA; Corallinales, Rhodophyta) produce bioactive secondary metabolites and are a promise for new antifouling compounds. Here, we investigated the antifouling activity of four GCA species-Amphiroa beauvoisii, Jania sagittata (formerly Cheilosporum sagittatum), Jania crassa, and Jania prolifera (formerly Amphiroa flabellata)-from the Brazilian coast against macro- and microorganisms. Simultaneously, metabolomic tools were applied to assess the chemical profiles of these seaweeds using gas chromatography coupled to mass spectrometry (GC-MS). Data analysis by principal component and molecular networking analyses used the global natural products social molecular networking platform (GNPS). Our results showed that all extracts were active against different strains of marine bacteria and that the J. sagittata (JsSI) extract showed the highest percentage of bacterial inhibition. The J. sagittata (JsSI) extract was the most active against the mussel Perna perna, showing 100% byssus inhibition. Regarding toxicity, only the J. crassa (JcP) extract showed a 20% mortality rate. The chemical profiles of the evaluated GCA extracts differed qualitatively and quantitatively. Yet, the steroid (3ß)-cholest-5-en-3-ol was the major compound commonly identified in all extracts, with the exception of J. sagittata (JsSI). Moreover, we observed intra- and interspecific chemical variabilities among GCA extracts for the different populations, which could explain their antifouling activity variability. This study contributed new information about the chemical compounds produced by this group of seaweeds and showed its antifouling potential. These GCA species may be the subject of future studies to obtain new bioactive compounds with biotechnological potential in maritime areas.


Assuntos
Incrustação Biológica , Rodófitas , Alga Marinha , Animais , Brasil , Incrustação Biológica/prevenção & controle , Extratos Vegetais/farmacologia
4.
Phys Rev Lett ; 131(5): 051802, 2023 Aug 04.
Artigo em Inglês | MEDLINE | ID: mdl-37595220

RESUMO

We show that final state interactions (FSI) within a CPT invariant two-channel framework can enhance the charge-parity (CP) violation difference between D^{0}→π^{-}π^{+} and D^{0}→K^{-}K^{+} decays up to the current experimental value. This result relies upon (i) the dominant tree level diagram, (ii) the well-known experimental values for the D^{0}→π^{-}π^{+} and D^{0}→K^{-}K^{+} branching ratios, and (iii) the ππ→ππ and ππ→KK scattering data to extract the strong phase difference and inelasticity. Based on well-grounded theoretical properties, we find the sign and bulk value of the ΔA_{CP} and A_{CP}(D^{0}→π^{-}π^{+}) recently observed by the LHCb Collaboration.

5.
EuroIntervention ; 19(4): e323-e329, 2023 Jul 17.
Artigo em Inglês | MEDLINE | ID: mdl-37306039

RESUMO

Dual antiplatelet therapy (DAPT) is currently the standard of care after percutaneous coronary intervention (PCI). Recent studies suggest that reducing DAPT to 1-3 months followed by an aspirin-free single antiplatelet therapy (SAPT) strategy with a potent P2Y12 inhibitor is safe and associated with less bleeding. However, to date, no randomised trial has tested the impact of initiating SAPT immediately after PCI, particularly in patients with acute coronary syndromes (ACS). NEOMINDSET is a multicentre, randomised, open-label trial with a blinded outcome assessment designed to compare SAPT versus DAPT in 3,400 ACS patients undergoing PCI with the latest-generation drug-eluting stents (DES). After successful PCI and up to 4 days following hospital admission, patients are randomised to receive SAPT with a potent P2Y12 inhibitor (ticagrelor or prasugrel) or DAPT (aspirin plus a potent P2Y12 inhibitor) for 12 months. Aspirin is discontinued immediately after randomisation in the SAPT group. The choice between ticagrelor and prasugrel is at the investigator's discretion. The primary hypothesis is that SAPT will be non-inferior to DAPT with respect to the composite endpoint of all-cause mortality, stroke, myocardial infarction or urgent target vessel revascularisation, but superior to DAPT on rates of bleeding defined by Bleeding Academic Research Consortium 2, 3 or 5 criteria. NEOMINDSET is the first study that is specifically designed to test SAPT versus DAPT immediately following PCI with DES in ACS patients. This trial will provide important insights on the efficacy and safety of withdrawing aspirin in the early phase of ACS. (ClinicalTrials.gov: NCT04360720).


Assuntos
Síndrome Coronariana Aguda , Stents Farmacológicos , Intervenção Coronária Percutânea , Humanos , Inibidores da Agregação Plaquetária/uso terapêutico , Ticagrelor/uso terapêutico , Síndrome Coronariana Aguda/tratamento farmacológico , Síndrome Coronariana Aguda/cirurgia , Cloridrato de Prasugrel/uso terapêutico , Intervenção Coronária Percutânea/efeitos adversos , Quimioterapia Combinada , Aspirina/uso terapêutico , Hemorragia/induzido quimicamente , Resultado do Tratamento
6.
Sci Total Environ ; 892: 164818, 2023 Sep 20.
Artigo em Inglês | MEDLINE | ID: mdl-37315600

RESUMO

Global marine conservation remains fractured by an imbalance in research efforts and policy actions, limiting progression towards sustainability. Rhodolith beds represent a prime example, as they have ecological importance on a global scale, provide a wealth of ecosystem functions and services, including biodiversity provision and potential climate change mitigation, but remain disproportionately understudied, compared to other coastal ecosystems (tropical coral reefs, kelp forests, mangroves, seagrasses). Although rhodolith beds have gained some recognition, as important and sensitive habitats at national/regional levels during the last decade, there is still a notable lack of information and, consequently, specific conservation efforts. We argue that the lack of information about these habitats, and the significant ecosystem services they provide, is hindering the development of effective conservation measures and limiting wider marine conservation success. This is becoming a pressing issue, considering the multiple severe pressures and threats these habitats are exposed to (e.g., pollution, fishing activities, climate change), which may lead to an erosion of their ecological function and ecosystem services. By synthesizing the current knowledge, we provide arguments to highlight the importance and urgency of levelling-up research efforts focused on rhodolith beds, combating rhodolith bed degradation and avoiding the loss of associated biodiversity, thus ensuring the sustainability of future conservation programs.


Assuntos
Biodiversidade , Ecossistema , Recifes de Corais , Poluição Ambiental , Florestas , Conservação dos Recursos Naturais
7.
Sci Rep ; 11(1): 21493, 2021 Nov 02.
Artigo em Inglês | MEDLINE | ID: mdl-34728757

RESUMO

When handling metallic centers of higher coordination numbers, one is commonly deluded with the presumption that any assembled metal complex geometry (including a crystallographic one) is good enough as a starting structure for computational chemistry calculations; all oblivious to the fact that such a structure is nothing short of just one out of several, sometimes dozens, or even thousands of other stereoisomers. Moreover, coordination chirality, so frequently present in complexes of higher coordination numbers, is another often overlooked property, rarely recognized as such. The Complex Build algorithm advanced in this article has been designed with the purpose of generating starting structures for molecular modeling calculations with full stereochemical control, including stereoisomer complete identification and coordination chirality recognition. Besides being in the chosen correct stereochemistry, the ligands are positioned by the Complex Build algorithm in a very unobstructed and unclogged manner, so that their degrees of freedom do not hinder or even choke one another, something that would otherwise tend to lead to negative force constants after further geometry optimizations by more advanced computational model chemistries. The Complex Build algorithm has been conceived for any metallic center, but at present is targeting primarily lanthanoids whose coordination numbers range mostly from 5 to 12 and often lead to a combinatorial explosion of stereoisomers.

8.
Cochrane Database Syst Rev ; 9: CD013169, 2021 Sep 23.
Artigo em Inglês | MEDLINE | ID: mdl-34555186

RESUMO

BACKGROUND: Obstructive sleep apnoea syndrome (OSAS) is associated with several chronic diseases, including erectile dysfunction (ED). The association of OSAS and ED is far more common than might be found by chance; the treatment of OSAS with non-invasive positive airway pressure therapy is associated with improvement of respiratory symptoms, and may contribute to the improvement of associated conditions, such as ED. OBJECTIVES: To assess the effectiveness and acceptability of non-invasive positive airway pressure therapy for improving erectile dysfunction in OSAS. SEARCH METHODS: We identified studies from the Cochrane Airways Trials Register, CENTRAL, MEDLINE, Embase, PsycINFO, CINAHL, AMED EBSCO, and LILACS, the US National Institutes of Health ongoing trials register ClinicalTrials.gov, and the World Health Organisation international clinical trials registry platform to 14 June 2021, with no restriction on date, language, or status of publication. We checked the reference lists of all primary studies, and review articles for additional references, and relevant manufacturers' websites for study information. We also searched specific conference proceedings for the British Association of Urological Surgeons; the European Association of Urology; and the American Urological Association to 14 June 2021. SELECTION CRITERIA: We considered randomised controlled trials (RCTs) with a parallel or cross-over design, or cluster-RCTs, which included men aged 18 years or older, with OSAS and ED. We considered RCTs comparing any non-invasive positive airway pressure therapy (such as continuous positive airways pressure (CPAP), bilevel positive airway pressure (BiPAP), variable positive airway pressure (VPAP), or similar devices) versus sham, no treatment, waiting list, or pharmacological treatment for ED. The primary outcomes were remission of ED and serious adverse events; secondary outcome were sex-related quality of life, health-related quality of life, and minor adverse events. DATA COLLECTION AND ANALYSIS: Two review authors independently conducted study selection, data extraction, and risk of bias assessment. A third review author solved any disagreement. We used the Cochrane RoB 1 tool to assess the risk of bias of the included RCTs. We used the GRADE approach to assess the certainty of the body of evidence. To measure the treatment effect on dichotomous outcomes, we used the risk ratio (RR); for continuous outcomes, we used the mean difference (MD). We calculated 95% confidence intervals (CI) for these measures. When possible (data availability and homogeneous studies), we used a random-effect model to pool data with a meta-analysis. MAIN RESULTS: We included six RCTs (all assessing CPAP as the non-invasive positive airway pressure therapy device), with a total of 315 men with OSAS and ED. All RCTs presented some important risk of bias related to selection, performance, assessment, or reporting bias. None of included RCTs assessed the ED remission rate, and we used the provided ED mean scores as a proxy. CPAP versus no CPAP There is uncertainty about the effect of CPAP on mean ED scores after 4 weeks, using the International index of erectile function (IIEF-5, higher = better; MD 7.50, 95% CI 4.05 to 10.95; 1 RCT; 27 participants; very low-certainty evidence), and after 12 weeks (IIEF-ED, ED domain; MD 2.50, 95% CI -1.10 to 6.10; 1 RCT; 57 participants; very low-certainty evidence, downgraded due to methodological limitations and imprecision). There is uncertainty about the effect of CPAP on sex-related quality of life after 12 weeks, using the Self-esteem and relationship test (SEAR, higher = better; MD 1.00, 95% CI -8.09 to 10.09; 1 RCT; 57 participants; very low-certainty evidence, downgraded due to methodological limitations and imprecision); no serious adverse events were reported after 4 weeks (1 RCT; 27 participants; very low-certainty evidence, downgraded due to methodological limitations and imprecision). CPAP versus sham CPAP One RCT assessed this comparison (61 participants), but we were unable to extract outcomes for this comparison due to the factorial design and reporting of this trial. CPAP versus sildenafil (phosphodiesterase type 5 inhibitors) Sildenafil may slightly improve erectile function at 12 weeks when compared to CPAP, measured with the IIEF-ED (MD -4.78, 95% CI -6.98 to -2.58; 3 RCTs; 152 participants; I² = 59%; low-certainty evidence, downgraded due to methodological limitations). There is uncertainty about the effect of CPAP on sex-related quality of life after 12 weeks, measured with the Erectile Dysfunction Inventory of Treatment Satisfaction questionnaire (EDITS, higher = better; MD -1.24, 95% CI -1.80 to -0.67; 2 RCTs; 122 participants; I² = 0%; very low-certainty evidence, downgraded due to methodological limitations). No serious adverse events were reported for either group (2 RCTs; 70 participants; very low-certainty evidence, downgraded due to methodological limitations and imprecision). There is uncertainty about the effects of CPAP when compared to sildenafil for the incidence of minor adverse events (RR 1.33, 95% CI 0.34 to 5.21; 1 RCT; 40 participants; very low-certainty evidence, downgraded due to methodological limitations and imprecision). The confidence interval was wide and neither a significant increase nor reduction in the risk of minor adverse events can be ruled out with the use of CPAP (4/20 men complained of nasal dryness in the CPAP group, and 3/20 men complained of transient flushing and mild headache in the sildenafil group). AUTHORS' CONCLUSIONS: When compared with no CPAP, we are uncertain about the effectiveness and acceptability of CPAP for improving erectile dysfunction in men with obstructive sleep apnoea. When compared with sildenafil, there is some evidence that sildenafil may slightly improve erectile function at 12 weeks.


Assuntos
Disfunção Erétil , Apneia Obstrutiva do Sono , Pressão Positiva Contínua nas Vias Aéreas , Disfunção Erétil/terapia , Humanos , Incidência , Intubação , Masculino , Ensaios Clínicos Controlados Aleatórios como Assunto , Apneia Obstrutiva do Sono/complicações , Apneia Obstrutiva do Sono/terapia
9.
Chaos ; 29(10): 103124, 2019 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-31675835

RESUMO

Oscillons are time-dependent, localized in space, extremely long-lived states in nonlinear scalar-field models, while kinks are topological solitons in one spatial dimension. In the present work, we show new classes of oscillons and oscillating kinks in a system of two nonlinearly coupled scalar fields in 1+1 spatiotemporal dimensions. The solutions contain a control parameter, the variation of which produces oscillons and kinks with a flat-top shape. The model finds applications in condensed matter, cosmology, and high-energy physics.

10.
Front Chem ; 7: 707, 2019.
Artigo em Inglês | MEDLINE | ID: mdl-31750290

RESUMO

A new procedure is suggested to improve genetic algorithms for the prediction of structures of nanoparticles. The strategy focuses on managing the creation of new individuals by evaluating the efficiency of operators (o 1, o 2,…,o 13) in generating well-adapted offspring. This is done by increasing the creation rate of operators with better performance and decreasing that rate for the ones which poorly fulfill the task of creating favorable new generation. Additionally, several strategies (thirteen at this level of approach) from different optimization techniques were implemented on the actual genetic algorithm. Trials were performed on the general case studies of 26 and 55-atom clusters with binding energy governed by a Lennard-Jones empirical potential with all individuals being created by each of the particular thirteen operators tested. A 18-atom carbon cluster and some polynitrogen systems were also studied within REBO potential and quantum approaches, respectively. Results show that our management strategy could avoid bad operators, keeping the overall method performance with great confidence. Moreover, amongst the operators taken from the literature and tested herein, the genetic algorithm was faster when the generation of new individuals was carried out by the twist operator, even when compared to commonly used operators such as Deaven and Ho cut-and-splice crossover. Operators typically designed for basin-hopping methodology also performed well on the proposed genetic algorithm scheme.

11.
Inorg Chem ; 57(17): 10557-10567, 2018 Sep 04.
Artigo em Inglês | MEDLINE | ID: mdl-30102026

RESUMO

The concept of random coordination ratios, RCRs, is advanced for lanthanide complexes. RCRs describe the relative probabilities of occurrence of subsets of stereoisomers of same-symmetry point groups in the limiting situation when energetic effects are equivalent. We then introduce a method to uniquely identify the stereoisomer of the coordination polyhedron of a given crystallographic structure and introduce a notation that fully characterizes its stereochemistry in an unambiguous manner, from which absolute configuration naturally follows. De facto, the coordination chirality in lanthanide complexes is a frequently overlooked property, even though these compounds often exhibit, when luminescent, high dissymmetry factors. With our methodology, we even managed to recognize a known dilanthanide complex as a meso compound, with both metal ions functioning as stereogenic centers. To achieve these results, we enumerate all possible stereoisomers of lanthanide complexes with coordination numbers from 4 to 9 for all combinations of monodentate, symmetric and asymmetric bidentate ligands, and for several shapes of coordination polyhedra. We confirmed the number of stereoisomers for each case by means of Pólya's theorem. We further classified all stereoisomers according to their symmetry point groups and generated their Cartesian coordinates. This collection of all coordination polyhedra stereoisomer geometries, which is made available in the Supporting Information , can also be used to easily build starting-point geometries for theoretical calculations of metal complexes.

12.
Phys Rev E ; 93(1): 012210, 2016 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-26871076

RESUMO

We derive analytical expressions for the correlation functions of the electronic conductance fluctuations of an open quantum dot under several conditions. Both the variation of energy and that of an external parameter, such as an applied perpendicular or parallel magnetic fields, are considered in the general case of partial openness. These expressions are then used to obtain the ensemble-averaged density of maxima, a measure recently suggested to contain invaluable information concerning the correlation widths of chaotic systems. The correlation width is then calculated for the case of energy variation, and a significant deviation from the Weisskopf estimate is found in the case of two terminals. The results are extended to more than two terminals. All of our results are analytical. The use of these results in other fields, such as nuclei, where the system can only be studied through a variation of the energy, is then discussed.

13.
Mar Pollut Bull ; 95(1): 81-8, 2015 Jun 15.
Artigo em Inglês | MEDLINE | ID: mdl-25935812

RESUMO

The impact of sediment coverage on two rhodolith-forming calcareous algae species collected at 100m water depth off the coast of Brazil was studied in an experimental flow-through system. Natural sediment mimicking drill cuttings with respect to size distribution was used. Sediment coverage and photosynthetic efficiency (maximum quantum yield of charge separation in photosystem II, ϕPSIImax) were measured as functions of light intensity, flow rate and added amount of sediment once a week for nine weeks. Statistical experimental design and multivariate data analysis provided statistically significant regression models which subsequently were used to establish exposure-response relationship for photosynthetic efficiency as function of sediment coverage. For example, at 70% sediment coverage the photosynthetic efficiency was reduced 50% after 1-2weeks of exposure, most likely due to reduced gas exchange. The exposure-response relationship can be used to establish threshold levels and impact categories for environmental monitoring.


Assuntos
Monitoramento Ambiental , Sedimentos Geológicos/análise , Rodófitas/fisiologia , Poluentes da Água/análise , Brasil , Luz , Modelos Teóricos , Fotossíntese/efeitos dos fármacos , Complexo de Proteína do Fotossistema II
14.
Environ Toxicol Chem ; 34(7): 1572-7, 2015 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-25689779

RESUMO

Discharge of drill cuttings into the ocean during drilling of offshore oil wells can impact benthic communities through an increase in the concentrations of suspended particles in the water column and sedimentation of particles on the seafloor around the drilling installation. The present study assessed effects of water-based drill cuttings, barite, bentonite, and natural sediments on shallow- and deep-water calcareous algae in short-term (30 d) and long-term (90 d) experiments, using 2 species from Peregrino's oil field at Campos Basin, Brazil: Mesophyllum engelhartii and Lithothamnion sp. The results were compared with the shallow-water species Lithothamnion crispatum. Smothering and burial exposures were simulated. Oxygen production and fluorescence readings were recorded. Although less productive, M. engelhartii was as sensitive to stress as Lithothamnion sp. Mesophyllum engelhartii was sensitive to smothering by drill cuttings, barite, and bentonite after 60 d of exposure and was similarly affected by natural sediments after 90 d. These results indicate that smothering by sediments caused physical effects that might be attributable to partial light attenuation and partial restriction on gas exchange but did not kill the calcareous algae in the long term. However, 1-mo burial by either natural sediments or drill cuttings was sufficient after 60 d for both species to reduce oxygen production, and the algae were completely dead under both sources of sediments.


Assuntos
Sedimentos Geológicos/química , Campos de Petróleo e Gás/química , Rodófitas/crescimento & desenvolvimento , Exposição Ambiental , Rodófitas/efeitos dos fármacos , Fatores de Tempo , Testes de Toxicidade , Poluentes Químicos da Água/toxicidade
15.
Phys Chem Chem Phys ; 17(4): 2703-14, 2015 Jan 28.
Artigo em Inglês | MEDLINE | ID: mdl-25500809

RESUMO

We report the use of genetic algorithms (GA) as a method to refine force field parameters in order to determine RNA energy. Quantum-mechanical (QM) calculations are carried out for the isolated canonical ribonucleosides (adenosine, guanosine, cytidine and uridine) that are taken as reference data. In this particular study, the dihedral and electrostatic energies are reparametrized in order to test the proposed approach, i.e., GA coupled with QM calculations. Overall, RMSE comparison with recent published results for ribonucleosides energies shows an improvement, on average, of 50%. Finally, the new reparametrized potential energy function is used to determine the spatial structure of RNA (PDB code ) that was not taken into account in the parametrization process. This structure was improved about 82% comparable with previously published results.


Assuntos
Algoritmos , Glicosídeos/química , Teoria Quântica , RNA/química , Ribonucleosídeos/química , Contaminação por DNA , Modelos Moleculares , Rotação
16.
J Phys Condens Matter ; 26(18): 185301, 2014 May 07.
Artigo em Inglês | MEDLINE | ID: mdl-24759188

RESUMO

We compute the optical conductivity for an out-of-plane deformation in graphene using an approach based on solutions of the Dirac equation in curved space. Different examples of periodic deformations along one direction translates into an enhancement of the optical conductivity peaks in the region of the far- and mid-infrared frequencies for periodicities ∼100 nm. The width and position of the peaks can be changed by dialling the parameters of the deformation profiles. The enhancement of the optical conductivity is due to intraband transitions and the translational invariance breaking in the geometrically deformed background. Furthermore, we derive an analytical solution of the Dirac equation in a curved space for a general deformation along one spatial direction. For this class of geometries, it is shown that curvature induces an extra phase in the electron wave function, which can also be explored to produce interference devices of the Aharonov-Bohm type.


Assuntos
Grafite , Modelos Teóricos , Fenômenos Ópticos , Elétrons
17.
BJU Int ; 112(8): 1223-8, 2013 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-24053711

RESUMO

OBJECTIVE: To assess the participation of European urology residents in urological laparoscopy, their training patterns and facilities available in European Urology Departments. MATERIALS AND METHODS: A survey, consisting of 23 questions concerning laparoscopic training, was published online as well as distributed on paper, during the Annual European Association of Urology Congress in 2012. Exposure to laparoscopic procedures, acquired laparoscopic experience, training patterns, training facilities and motivation were evaluated. Data was analysed with descriptive statistics. RESULTS: In all, 219 European urology residents answered the survey. Conventional laparoscopy was available in 74% of the respondents' departments, while robotic surgery was available in 17% of the departments. Of the respondents, 27% were first surgeons and 43% were assistants in conventional laparoscopic procedures. Only 23% of the residents rated their laparoscopic experience as at least 'satisfactory'; 32% of the residents did not attend any course or fellowship on laparoscopy. Dry laboratory was the most frequent setting for training (33%), although 42% of the respondents did not have access to any type of laparoscopic laboratory. The motivation to perform laparoscopy was rated as 'high' or 'very high' by 77% of the respondents, and 81% considered a post-residency fellowship in laparoscopy. CONCLUSIONS: Urological laparoscopy is available in most European training institutions, with residents playing an active role in the procedure. However, most of them consider their laparoscopic experience to be poor. Moreover, the availability of training facilities and participation in laparoscopy courses and fellowships are low and should be encouraged.


Assuntos
Educação Médica Continuada , Internato e Residência/estatística & dados numéricos , Laparoscopia/educação , Robótica/educação , Procedimentos Cirúrgicos Urológicos/educação , Urologia/educação , Adulto , Competência Clínica/estatística & dados numéricos , Europa (Continente)/epidemiologia , Feminino , Humanos , Masculino , Motivação , Inquéritos e Questionários
18.
Phys Rev Lett ; 107(13): 135304, 2011 Sep 23.
Artigo em Inglês | MEDLINE | ID: mdl-22026870

RESUMO

We evidence the existence of a universal correlation between the binding energies of successive four-boson bound states (tetramers), for large two-body scattering lengths (a), related to an additional scale not constrained by three-body Efimov physics. Relevant to ultracold atom experiments, the atom-trimer relaxation peaks for |a|→∞ when the ratio between the tetramer and trimer energies is ≃4.6 and a new tetramer is formed. The new scale is also revealed for a < 0 by the prediction of a correlation between the positions of two successive peaks in the four-atom recombination process.

19.
Phys Rev Lett ; 99(26): 269201; author reply 269202, 2007 Dec 31.
Artigo em Inglês | MEDLINE | ID: mdl-18233608
20.
Geoinformatica ; 11(1): 103-129, 2007.
Artigo em Inglês | MEDLINE | ID: mdl-32214874

RESUMO

Addresses are the most common georeferencing resource people use to communicate to others a location within a city. Urban GIS applications that receive data directly from citizens, or from legacy information systems, need to be able to quickly and efficiently obtain a spatial location from addresses. In this paper we understand addresses in a broader perspective, in which not only the conventional elements of postal addresses are considered, but other kinds of direct or indirect references to places, such as building names, postal codes, or telephone area codes, which are also valuable as locators to urban places. This broader view on addresses allows us to work with two perspectives. First, in the ontological definition, modeling, and implementation of an addressing database that is flexible enough to accommodate the variety of concepts and address formats used worldwide, along with direct and indirect references to places. Second, in the definition of an indicator that is able to quantify the degree of certainty that could be reached when a user-given, semi-structured address is geocoded into a spatial position, as a function of the type and completeness of the available addressing data and of the geocoding method that has been employed. This indicator, which we call Geocoding Certainty Indicator (GCI), can be used as a threshold, beyond which the geocoded event should be left out of any statistical analysis, or as a weight that allows spatial analysis methods to reduce the influence of events that have been less reliably located. In order to support geocoding activities and the determination of the GCI, we propose a conceptual schema for addressing databases. The schema is flexible enough to accommodate a variety of addressing systems, at various levels of detail, and in different countries. Our intention is to depart from the usual geocoding strategy employed in commercial GIS products, which is usually limited to the average American or British address format. The schema also extends the notion of postal address to something broader, including popular names for places, building names, reference places, and other concepts. This approach extends Simpson's and Yu's Comput. Environ. Urban Syst., 27: 283-307, 2003 work on postal codes to records of any kind, including place names and loosely formatted addresses.

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