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1.
J Mol Graph Model ; 79: 264-272, 2018 01.
Artigo em Inglês | MEDLINE | ID: mdl-29288937

RESUMO

To obtain accurate results from the nonlocal plate theory, the nonlocal parameter should be properly determined. In this paper, practicing a molecular dynamics simulation, the nonlocal plate theory was presented for free vibration analysis of annular graphene sheets. Accuracy and stability of results are validated by published results. Calculations are performed for different boundary conditions and geometrical properties. Results reveal that inner and outer radius induce significant effects on the nonlocal parameter. This nonlocal parameter extracted based on Molecular Dynamics (MD) in the nonlocal theory can determine the natural frequencies of annular graphene sheets, conveniently, whereas the molecular dynamics simulation demands a lot of time.


Assuntos
Grafite/química , Simulação de Dinâmica Molecular , Algoritmos , Modelos Teóricos , Conformação Molecular , Vibração
2.
New Microbes New Infect ; 19: 117-120, 2017 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-28794886

RESUMO

Despite a Mycobacterium tuberculosis control programme and anti-tuberculosis drugs, drug-resistant tuberculosis (DR-TB) is one of the most serious public health issues worldwide. Rapid laboratory diagnosis of M. tuberculosis is needed for the diagnosis of multidrug-resistant (MDR) TB and to find the optimal treatment protocol. The purpose of this study was to detect resistance to rifampicin in new cases of TB using the GeneXpert MTB/RIF (M. tuberculosis/rifampicin) assay and the standard proportional method in west and northwest Iran. In this descriptive cross-sectional study, sputum samples were enrolled and screened for M. tuberculosis using Ziehl-Neelsen stain and mycobacterial culture. Samples from individuals with smear-positive TB were cultured on Lowenstein-Jensen medium; afterwards, the presence of resistance to rifampicin was examined by the GeneXpert MTB/RIF and standard proportional methods. A total of 400 new cases of suspected TB were collected, 162 (40.5%) of which were smear- and culture-positive for M. tuberculosis. The frequencies of rifampicin resistance in new smear-positive TB cases were 3.1% and 4.3% for GeneXpert and standard proportional method, respectively. Sensitivity and specificity of GeneXpert were 71% and 100%, respectively, compared with the proportional method. GeneXpert can be a quick and helpful method for the diagnosis of rifampicin-resistant TB in regions with high rates of DR-TB or MDR-TB. GeneXpert MTB-RIF assay must be used as an early diagnostic method whose results must be confirmed by the standard proportional method. The GeneXpert and proportional methods complement but do not replace each other.

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