A5082088195- Quantum, superfluid, helium dynamics
- Atomic and Subatomic Physics Research
- Methane Hydrates and Related Phenomena
- Inorganic Fluorides and Related Compounds
- Advanced Chemical Physics Studies
- Nuclear Physics and Applications
- Muon and positron interactions and applications
- COVID-19 diagnosis using AI
- Atomic and Molecular Physics
- SARS-CoV-2 and COVID-19 Research
- Mosquito-borne diseases and control
- COVID-19 epidemiological studies
- Chemical Synthesis and Characterization
- COVID-19 Pandemic Impacts
- Isotope Analysis in Ecology
- Spectroscopy and Quantum Chemical Studies
- Geophysics and Gravity Measurements
- Atmospheric Ozone and Climate
- CO2 Reduction Techniques and Catalysts
- SARS-CoV-2 detection and testing
- Viral Infections and Vectors
- Spacecraft and Cryogenic Technologies
- Advanced NMR Techniques and Applications
- Advanced battery technologies research
- Graphene research and applications
Universidade Federal de Minas Gerais
2012-2025
Universidade de São Paulo
2022
The pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is an emerging crisis affecting the public health system. clinical features of COVID-19 can range from asymptomatic state to and multiple organ dysfunction. Although some hematological biochemical parameters are altered during moderate COVID-19, there still a lack tools combine these predict outcome patient with COVID-19. Thus, this study aimed at employing patients diagnosed in order build machine learning...
Abstract Complete benchmark rovibrational energy linelists calculated for the primordial polar molecules of universe, namely HD + , HD, and HeH isotopologues, with accuracy up to 10 −2 cm −1 low-lying states, are presented. To allow these calculations be performed, new high-accuracy potential curves, which include diagonal Born–Oppenheimer adiabatic corrections leading relativistic corrections, determined. Also, a approach calculating non-adiabatic involving an effective vibrational nuclear...
Machine-learning techniques are used to check the theoretical and experimental predictions of positron binding general molecules. The bound or unbound character previous calculations for polar molecules mostly confirmed. Binding so far unexplored is predicted. For apolar molecules, a formula energy in terms isotropic polarizability ionization potential obtained, leading unprecedented agreement with experiments as well prediction previously unidentified systems. role suggested consequence...
In brief Congenital ZIKV infection promotes alarming effects on male offspring's reproductive biology. This study showed the presence of antigen in testis parenchyma, decreased testosterone levels, and sperm abnormalities offspring born to infected mothers. Abstract Infection with during pregnancy is associated fetal developmental problems. Although neurological issues are being explored more experimental studies, limited research has focused health consequences for this context, aimed...
The problem of the bound states a positron with atoms and apolar molecules is studied regularized polarization potential $V={V}_{{r}_{c}}\ensuremath{-}\frac{\ensuremath{\alpha}{r}^{\ensuremath{-}4}}{2}$, where ${V}_{{r}_{c}}$ repulsive hard-core potential. A continuous relation between core radius target polarizability identified for alkanes, leading to observed linear their experimental binding energies polarizabilities. New values I Pt are suggested. Some predictions related made,...
By analysing the evolution of COVID-19 epidemic in state Minas Gerais, Brazil, we showed importance considering sub-notification not only deaths but also infected cases. It was shown that largely used criteria a historical all-deaths baseline are approachable this case, where most associated with causes should decrease due to social distancing and reduction economic activities. A quite simple intuitive model based on Gompertz function applied estimate excess fits well data predicts...
The effect of non-adiabatic coupling on the computed rovibrational energy levels amounts to about 2 cm −1 for H 3 + and must be included in high-accuracy calculations. Different strategies obtain corresponding shifts are reviewed article. A promising way is introduce effective vibrational reduced masses that depend nuclear configuration. new empirical method uses stockholder atoms-in-molecules approach this presented applied . Furthermore, a highly accurate potential surface D isotopologue,...
Machine learning methods are applied to obtain adsorption energies of different chemical species on (100), (111), and (211) FCC surfaces several transition metals Pb. Based information available in databases containing obtained via first-principles calculations, we implemented MLPRegressor, XGBRegressor, Support Vector Regressor, Stacking machine models. The fourth model is created from the combination previous three through a technique. In broader context, our results showed robustness...
A previous theory of separation motions core and valence fractions electrons in a molecule [J. R. Mohallem et al., Chem. Phys. Lett. 501, 575 (2011)] is invoked as basis for the useful concept Atoms-in-Molecules (AIM) stockholder scheme. The output new tool analysis chemical bond that identifies electron density (core-valence AIM (CVSAIM)). One-electron effective potentials each atom are developed, which allow identification parts move along with nuclei (cores). This procedure results...
Introduction: Breast cancer is considered the most common neoplasm among women, with approximately 74,000 cases estimated in Brazil for year 2023(1,5). Given complexity of this neoplasm, therapeutic approach depends on stage disease and specific type tumor identified(2). Complete surgical resection clear margins crucial a better prognosis patient(3-4). Careful evaluation during surgery essential successful treatment to prevent recurrence. Therefore, there need improve strategies that...
Abstract Two types of developments for very accurate non‐adiabatic corrections to rovibrational molecular energy levels, one a formal nature and the other heuristic nature, lead fundamentally different approaches effective nuclear masses. The former yields masses that have non‐physical interpretation at some ranges distances. later uses physical obtained from electronic structure calculations. This paper contains brief review subject proposes procedures improve generalize approach....
Systematic theoretical data of positron binding to atoms [C. Harabati, V. A. Dzuba, and Flambaum, Phys. Rev. A 89, 022517 (2014)] are handled by machine learning techniques. Despite the existence unsystematic errors in calculations, it becomes possible identify, through bound-unbound classification, a descriptor as function just polarizability ionization potential isolated atoms. Details bonding mechanism appear be less relevant seems described simply these two atomic properties, with large...
By analysing the evolution of COVID-19 epidemic in state Minas Gerais, Brazil, we showed importance considering sub-notification not only deaths but also infected cases. It was shown that largely used criteria a historical all-deaths baseline is approachable this case, where most are associated with causes should decrease due to social distancing and reduction economic activities. A quite simple intuitive model based on Gompertz function applied estimate excess fits well data predicts...