نتایج جستجو برای: nbo charge

تعداد نتایج: 142895  

Journal: :Oral surgery, oral medicine, oral pathology, oral radiology, and endodontics 2008
Tommy C O Fok Ahmed Jan Sean A F Peel A Wayne Evans Cameron M L Clokie George K B Sándor

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...

2014
Leticia Boldrin MESTIERI Mário TANOMARU-FILHO Ana Livia GOMES-CORNÉLIO Loise Pedrosa SALLES Maria Inês Basso BERNARDI Juliane Maria GUERREIRO-TANOMARU

OBJECTIVE Mineral Trioxide Aggregate (MTA) is composed of Portland Cement (PC) and bismuth oxide (BO). Replacing BO for niobium oxide (NbO) microparticles (Nbµ) or nanoparticles (Nbη) may improve radiopacity and bioactivity. The aim of this study was to evaluate the radiopacity and cytotoxicity of the materials: (1) PC; (2) White MTA; (3) PC+30% Nbµ; (4) PC+30% Nbη. MATERIAL AND METHODS For t...

2016
Laurent Chazalviel Benoit Haelewyn Mickael Degoulet Jean-Eric Blatteau Nicolas Vallée Jean-Jacques Risso Stéphane Besnard Jacques H Abraini

Recent data have shown that normobaric oxygen (NBO) increases the catalytic and thrombolytic efficiency of recombinant tissue plasminogen activator (rtPA) in vitro, and is as efficient as rtPA at restoring cerebral blood flow in rats subjected to thromboembolic brain ischemia. Therefore, in the present study, we studied the effects of hyperbaric oxygen (HBO) (i) on rtPA-induced thrombolysis in ...

2006
X. C. Yang M. Dubiel

The X-ray absorption fine structure (XAFS) technique was used to analyze the structural geometry of Ag atoms introduced into soda-lime silicate glass and soda aluminosilicate glass by ion-exchange methods. The results show that Ag ions in aluminosilicate glass are coordinated by about two oxygens and the nearest-neighbor Ag-O distance increases when the Ag-for-Na ion-exchange ratio is larger th...

In this research at the first, xylometazoline hydrochloride drug (XY) and its fullerene connected form (FXY) were optimized. Natural Bond Orbital (NBO) calculations for these compounds were carried out at the B3LYP/6-31G* quantum chemistry level, in the gas phase and the liquid phase. These calculations can be performed at different accuracy levels depending on the aim of the theoretical study....

Roya Ahmadi

In this research at the first, captopril drug (CA) and its fullerene connected form (FCA) wereoptimized. Natural Bond Orbital (NBO) calculations for these compounds were carried out at theB3LYP/6-31G quantum chemistry level, in the gas phase and the liquid phase. These calculations canbe performed at different accuracy levels depending on the aim of the theoretical study [1]. Forinstance, Densi...

Journal: :Physical chemistry chemical physics : PCCP 2016
David Quiñonero Ibon Alkorta José Elguero

Stable minima showing halogen bonds between charged molecules with the same sign have been explored by means of theoretical calculations. The dissociation transition states and their corresponding barriers have also been characterized. In all cases, the results indicate that the complexes are thermodynamically unstable but kinetically stable with respect to the isolated monomers in gas phase. A...

Journal: :International journal of pure and applied sciences 2022

The purpose of this research is to determine the structure's electrophilic and nucleophilic character by examining at local global chemical activity factors. electronic behavior Poly (ɛ-caprolactone) was investigated theoretical quantum computation for purpose. Natural Bonding Orbital (NBO) analysis a powerful technique studying stabilization energy E(2), conjugated interactions, charge transfe...

In this research at the first, xylometazoline hydrochloride drug (XY) and its fullerene connected form (FXY) were optimized. Natural Bond Orbital (NBO) calculations for these compounds were carried out at the B3LYP/6-31G* quantum chemistry level, in the gas phase and the liquid phase. These calculations can be performed at different accuracy levels depending on the aim of the theoretical study....

Journal: :Stroke 2015
Xiaokun Geng Omar Elmadhoun Changya Peng Xunming Ji Adam Hafeez Zongjian Liu Huishan Du Jose A Rafols Yuchuan Ding

BACKGROUND AND PURPOSE Ischemic stroke induces metabolic disarray. A central regulatory site, pyruvate dehydrogeanse complex (PDHC) sits at the cross-roads of 2 fundamental metabolic pathways: aerobic and anaerobic. In this study, we combined ethanol (EtOH) and normobaric oxygen (NBO) to develop a novel treatment to modulate PDHC and its regulatory proteins, namely pyruvate dehydrogenase phosph...

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