Molecular Dynamics
Mostrando 25-36 de 1171 artigos, teses e dissertações.
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25. Study of Glass Forming on Cu60.0Zr32.5Ti7.5 Alloy by Molecular Dynamics Simulation
This paper presents the results of Molecular Dynamics (MD) simulations of Cu60.0Zr32.5Ti7.5 alloy through the open source code LAMMPS. Amorphous samples were produced by quenching the molten metal from 2300 to 300 K. The pair distribution functions of the liquid and solid were calculated. Moreover, the atomic short-range order at 800, 700 and 300 K was obtai
Mat. Res.. Publicado em: 21/12/2017
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26. Dynamics of miR156 and miR172 involved in the flowering of Jatropha curcas L.
ABSTRACT Jatropha curcas is a plant that accumulates high-quality oil in its seeds, which is capable of being transformed into liquid biofuel. However, several aspects of its flowering are still unknown, which is a key step in the production of fruits, seeds, and oil. Flowering is a complex process that is regulated by various factors at the molecular level,
Acta Bot. Bras.. Publicado em: 18/12/2017
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27. Comparative genome-wide polymorphic microsatellite markers in Antarctic penguins through next generation sequencing
Abstract Microsatellites are valuable molecular markers for evolutionary and ecological studies. Next generation sequencing is responsible for the increasing number of microsatellites for non-model species. Penguins of the Pygoscelis genus are comprised of three species: Adélie (P. adeliae), Chinstrap (P. antarcticus) and Gentoo penguin (P. papua), all dist
Genet. Mol. Biol.. Publicado em: 2017-09
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28. Exome sequencing identifies a novel mutation of the GDI1 gene in a Chinese non-syndromic X-linked intellectual disability family
Abstract X-linked intellectual disability (XLID) has been associated with various genes. Diagnosis of XLID, especially for non-syndromic ones (NS-XLID), is often hampered by the heterogeneity of this disease. Here we report the case of a Chinese family in which three males suffer from intellectual disability (ID). The three patients shared the same phenotype
Genet. Mol. Biol.. Publicado em: 31/08/2017
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29. Phenomenology of the Maximum Fragment Mass Dependence Upon Ballistic Impact Parameters
Abstract Molecular dynamics simulations of the ballistic Taylor test are used to explore correlation between the largest fragment mass and the impact energy of a projectile as well as a set of selected state variables. Flat-ended, monocrystalline, nanoscale bars collide with a rigid wall with striking velocities ranging from 0.27 km/s to 60 km/s. The investi
Lat. Am. j. solids struct.. Publicado em: 2017-08
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30. A DIVISÃO DE FÍSICO QUÍMICA E OS 40 ANOS DA SBQ
One of the goals of this manuscript is to celebrate the forty years of the SBQ (Sociedade Brasileira de Química). We believe using historical analysis could benefit our researchers to overcome the challenges ahead, look into the future, to the scientific progress and the way science increases its problem-solving ability. There are several topics covered by
Quím. Nova. Publicado em: 2017-07
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31. Functional Genes of Microorganisms, Comprehending the Dynamics of Agricultural Ecosystems
ABSTRACT The microbial composition of different types,in ecosystems (including agro-ecosystems), has been investigated in a rapidly growing number of studies in the past few years. The importance of microorganisms, regarding the maintenance and stability of nutrients in agroecosystems, is a key to maintain the sustainability of a crop. Molecular tools to stu
Braz. arch. biol. technol.. Publicado em: 02/05/2017
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32. Phylogeographic history of South American populations of the silky anteater Cyclopes didactylus (Pilosa: Cyclopedidae)
Abstract Cyclopes didactylus, commonly called silky anteater, is the smallest and least studied of the anteaters. It is an arboreal species occurring in rainforests, ranging from southern Mexico to Central and South America, with an apparently disjoint distribution between Amazon and Atlantic rainforests in Brazil. Although seven subspecies are recognized, l
Genet. Mol. Biol.. Publicado em: 13/02/2017
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33. CHEMICAL DEMULSIFICATION OF MODEL WATER-IN-OIL EMULSIONS WITH LOW WATER CONTENT BY MEANS OF IONIC LIQUIDS
Abstract The demulsification of model water-in-oil (w/o) emulsions containing 1% wt. water by [Omim][PF6] and Aliquat® 336 ionic liquids (IL) as demulsifiers was investigated in batch mode at different temperatures (30, 45 and 60 °C) and demulsifier concentrations (2.5×10‒3, 1.2×10‒2 and 2.9×10‒2 mol L‒1). The model oil is a mixture n-heptane/to
Braz. J. Chem. Eng.. Publicado em: 2017-01
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34. Investigation of the Elastic Properties of Graphenylene Using Molecular Dynamics Simulations
Molecular dynamics simulations are used here to study the mechanical behavior of graphenylene under uni-directional and bi-directional loadings. The effects of nanosheet chirality and size on Young's modulus of graphenylene are investigated. Compared to graphene, graphenylene possess a smaller elastic modulus. It is shown that for large armchair and zigzag g
Mat. Res.. Publicado em: 16/11/2016
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35. Successful application of virtual screening and molecular dynamics simulations against antimalarial molecular targets
The main challenge in the control of malaria has been the emergence of drug-resistant parasites. The presence of drug-resistant Plasmodium sp. has raised the need for new antimalarial drugs. Molecular modelling techniques have been used as tools to develop new drugs. In this study, we employed virtual screening of a pyrazol derivative (Tx001) against four ma
Mem. Inst. Oswaldo Cruz. Publicado em: 10/11/2016
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36. Molecular epidemiology of coagulase-negative bloodstream isolates: detection of Staphylococcus epidermidis ST2, ST7 and linezolid-resistant ST23
Abstract The mechanisms contributing to persistence of coagulase-negative staphylococci are diverse; to better understanding of their dynamics, the characterization of nosocomial isolates is needed. Our aim was to characterize phenotypic and molecular characteristics of Staphylococcus epidermidis and Staphylococcus haemolyticus human blood isolates from two
Braz J Infect Dis. Publicado em: 2016-10