نتایج جستجو برای: nbo interpretation

تعداد نتایج: 149939  

Journal: :Brain research 2011
Li Sun Hartmut Strelow Günter Mies Roland Veltkamp

Oxygen therapy (OT) with hyperbaric oxygen (HBO) or normobaric hyperoxia (NBO) improves the oxygenation of penumbral tissue in experimental ischemic stroke. However, whether this results in the improvement of energy metabolism is unclear. We investigated the effect of both OTs on tissue acidosis and on ATP production. Beginning 25 min after filament middle cerebral artery occlusion (MCAO), mice...

Journal: :Journal of the Ceramic Association, Japan 1975

Fatemeh Azarakhshi Mehrnoosh Khaleghian Nazanin Farhadyar

The quantum-chemical calculations on the conformational properties of 2-flouro-2-oxo- 1,3,2-dioxaphosphorinane (1), 2-choloro-2-oxo-1,3,2-dioxaphosphorinane (2) and 2-bromo- 2-oxo-1,3,2-dioxaphosphorinane (3) have been investigated by means of ab initio molecular orbital (HF/6-311+G**) and hybrid density functional theory (B3LYP/6-311+G**) based methods and Natural Bond Orbital (NBO) interpreta...

Journal: :Physical chemistry chemical physics : PCCP 2016
Diego M Gil María E Tuttolomondo Sebastian Blomeyer Christian G Reuter Norbert W Mitzel Aída Ben Altabef

The molecular structure and conformational properties of 2,2,2-trichloroethyl chloroformate, ClC(O)OCH2CCl3 were determined experimentally using gas-phase electron diffraction (GED) and theoretically based on quantum-chemical calculations at the MP2 and DFT levels of theory. Further experimental measurements such as UV-visible, IR and Raman spectroscopy were complemented with the corresponding ...

Journal: :journal of physical & theoretical chemistry 2005
h. aghaie m. monajjemi gh. ghassemi m. kia

we have evaluated the nmr shielding tensors for a:t,g:c,a:u in watson-crick, and u-quartet. we have computed nmr shielding tensors at b31yp level by using 6-31g(d) basis set. we have compute anisotropy and asymmetry in a:t,g:c,a:u and u-quartet. the nmr shielding tensors were calculated using the giao method. the natural bonding orbital analysis (nbo) were performed. nbo calculation have been ...

Journal: :Journal of the Ceramic Society of Japan 2022

The Raman and infrared (IR) spectra for the alkali metaphosphate crystals composed of Q2 units pyrophosphate crystal Q1 were assessed by density functional theory calculations. assignments peaks calculated IR consistent with reported phosphate glasses except assignment around 1100 cm?1 crystals. Peaks have been assigned to asymmetric stretching vibrations bonds between phosphorus atoms non-brid...

2017
Ragnhild Sørensen Høifødt Dag Nordahl Gerit Pfuhl Inger Pauline Landsem Jens C Thimm Linn Kathrin K Ilstad Catharina Elisabeth Arfwedson Wang

INTRODUCTION Postpartum depression (PPD) is a prevalent disorder. Studying the factors related to PPD will help to identify families at risk and provide preventive interventions. This can in turn improve the developmental trajectories for the children. Several previous studies have investigated risk factors for PPD. However, few studies have focused on cognitive vulnerability factors. The first...

Journal: :Undersea & hyperbaric medicine : journal of the Undersea and Hyperbaric Medical Society, Inc 1999
D F Gorman

OBJECTIVE To assess neurological sequelae in patients with all grades of carbon monoxide (CO) poisoning after treatment with hyperbaric oxygen (HBO) and normobaric oxygen (NBO). DESIGN Randomised controlled double-blind trial, including an extended series of neuropsychological tests and sham treatments in a multiplace hyperbaric chamber for patients treated with NBO. SETTING The multiplace ...

Journal: :Physiological measurement 2007
Huagang Hou Oleg Grinberg Benjamin Williams Stalina Grinberg Hongsheng Yu Donna L Alvarenga Hermine Wallach Jay Buckey Harold M Swartz

We examined the effect of hyperbaric oxygen (HBO) and normobaric oxygen (NBO) on neurologic damage and brain oxygenation before and after focal cerebral ischemia in rats. A middle cerebral artery occlusion (MCAO)/reperfusion rat model was used. The rats were sacrificed 22 h after reperfusion, and the infarct volume was evaluated. In study A, HBO (2.0 ATA), NBO (100% oxygen) and normobaric air (...

2015
Mustafa C. Beker Ahmet B. Caglayan Taha Kelestemur Berrak Caglayan Esra Yalcin Burak Yulug Ulkan Kilic Dirk M. Hermann Ertugrul Kilic

In order to protect the brain before an irreversible injury occurs, penumbral oxygenation is the primary goal of current acute ischemic stroke treatment. However, hyperoxia treatment remains controversial due to the risk of free radical generation and vasoconstriction. Melatonin is a highly potent free radical scavenger that protects against ischemic stroke. Considering its anti-oxidant activit...

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