نتایج جستجو برای: nbo analysis nano physicalparameters
تعداد نتایج: 2868720 فیلتر نتایج به سال:
OBJECTIVE To conduct the cross-cultural adaptation for Brazilian Portuguese of the Newborn Behavioral Observations (NBO), a new resource for observing neonatal behavior and sharing information with parents. METHODS Methodological study of translation and cultural adaptation of the NBO system, which includes the Recording Form, with 18 items, the Recording Guidelines, with instructions to scor...
Synthesized niobium oxides (Nb(2)O(5) and NbO(2)) were applied for the first time as counter electrodes (CEs) in dye-sensitized solar cells (DSCs). The DSC using NbO(2) CE showed a higher power conversion efficiency of 7.88%, compared with that of the DSC using Pt CE (7.65%).
BACKGROUND AND PURPOSE Normobaric oxygenation (NBO) and ethanol both provide neuroprotection in stroke. We evaluated the enhanced neuroprotective effect of combining these 2 treatments in a rat stroke model. METHODS Sprague-Dawley rats were subjected to middle cerebral artery occlusion for 2 hours. Reperfusion was then established and followed by treatment with either (1) an intraperitoneal i...
In this study, the drug atenolol on C60 fullerene were the drug and its derivatives were optimized fullerene. NBO and NMR for complex computations required in the HF/6-31G (d) and B3LYP/6-31G (d) quantum chemistry method was used. Mechanical quantum calculations in theory level of B3LYP/6-31G were performed on structure of atenolol and nano fullerene atenolol with different positions...
Beta-turns play an important role in peptide and protein chemistry, biophysics, and bioinformatics. The aim of this research was to study short linear peptides that have a high propensity to form beta-turn structures in solution. In particular, we examined conformational ensembles of beta-turn forming peptides with a general sequence CBz-L-Ala-L-Xaa-Gly-L-Ala-OtBu. These tetrapeptides, APGA, A(...
In this paper, is calculated structural optimization and interactions on surface nanotubes (AlN,CNT) and phosgene. Based on the optimized ground state geometries using B3LYP/6-31G* method, the NBO analysis of donor-acceptor (bondanti bond) interactions revealed that the stabilizationenergies associated with the electronic delocalization.
A series of (CeO2)x–(Na2O)0.3–(SiO2)(0.7−x) glasses, where 0.025≤ x≤ 0.075, have been synthesized and investigated by mean of X-ray photoelectron spectroscopy (XPS). The Ce 3d spin-orbit doublet was curve fitted in order to quantify the proportions of each cerium oxidation state in these glasses. It was found that Ce ions are predominantly in the Ce(III) state in glasses with compositions x≤ 0....
BACKGROUND Hyperbaric oxygen therapy (HBO) promotes osseous healing, however the mechanism by which this occurs has not been elucidated. HBO may promote angiogenesis, which is vital for bone healing. Vascular endothelial growth factor (VEGF) is one of the key factors that stimulates angiogenesis. OBJECTIVE The objective of this study was to investigate whether HBO altered VEGF expression duri...
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