Can NbO Keep nbo Topology under Electrons? –Unveiling Novel Aspects of Niobium Monoxide at the Atomic Scale [PDF]
Chemistry – A European Journal, 2023 AbstractA precise investigation of NbO has been carried out by advanced electron microscopy combined with powder and single crystal X‐ray diffraction (XRD). The structure of pristine NbO has been determined as Pm‐3 m space group (SG) with a = 4.211 Å and the positions of Nb and O at the 3c and 3d Wyckoff positions, respectively, which is consistent ...
Chengmin Li +6 more
openaire +6 more sources
Combination therapy with normobaric oxygen (NBO) plus thrombolysis in experimental ischemic stroke [PDF]
BMC Neuroscience, 2009 Background The widespread use of tissue plasminogen activator (tPA), the only FDA-approved acute stroke treatment, remains limited by its narrow therapeutic time window and related risks of brain hemorrhage.
Singhal Aneesh B +7 more
doaj +2 more sources
Conformational and stereoelectronic investigation of tryptamine. An AIM/NBO study [PDF]
Journal of Molecular Modeling, 2011 Due to the free radical scavenger properties of Tryptamine (TRA), as well as of others indole derivatives, it is in our interest to explore deeply the stereoelectronic aspects that would be relevant in their stabilization and antioxidant activity.
Lobayan, Rosana M. +3 more
openaire +5 more sources
, 2014 Mieux comprendre les liens entre olfaction et prise alimentaire. La perception olfactive confère aux aliments une valeur hédonique, qui, en étant modulée par l’état nutritionnel, participe aux processus d’appétence et de satiété, par des mécanismes encore mal connus.
Denis, Isabelle +7 more
openaire +3 more sources
Giant Bulk Photovoltaic Effect in Two-Dimensional Topological Ferroelectric Semimetal. [PDF]
Adv Sci (Weinh)ABSTRACT Ferroelectric (FE) metals have attracted growing interest because they combine ferroelectricity with metallic behavior and enable polarization‐controlled band topology near the Fermi level. However, the number of known ferroelectric metals is still limited.
Wang J +8 more
europepmc +2 more sources
Estudio computacional de compuestos anticancerígenos heterocíclicos mediante el método nbo [PDF]
, 2022 En el presente estudio, el método NBO contiene las energías HOMO y LUMO calculadas para 10 fármacos anticancerígenos heterocíclicos diferentes utilizando B3LYP/6-31G(d,p).
Monajjemi, Majid +4 more
core +1 more source
Interaction of Crizotinib (as an anti lung cancer drug) on Pure, Boron-Doped, and Carboxylated C60 Fullerene: Based on Density Functional Theory [PDF]
Journal of Water and Environmental Nanotechnology, 2020 Notwithstanding the enormous benefit of crizotinib, as anti lung cancer, severe toxicity as side effects are the main problem for this drug. In this research, the interaction of crizotinib over NH2 agent with C60 fullerene, boron-doped fullerene (C59B ...
Ashrafsadat Ghasemi +2 more
doaj +1 more source
Normobaric Oxygen May Ameliorate Cerebral Venous Outflow Disturbance-Related Neurological Symptoms
Frontiers in Neurology, 2020 Cerebral venous outflow disturbance (CVOD) has begun to garner the attention of researches owing to a series of clinical symptoms that impose a significant impact on people's quality of life. Herein, we aimed to investigate whether normobaric oxygen (NBO)
Jiayue Ding +23 more
doaj +1 more source
DFT study and NBO analysis of solvation/substituent effects of 3-phenylbenzo[d]thiazole-2(3H)-imine derivatives [PDF]
Journal of the Serbian Chemical Society, 2020 In this work, to determine natural bond orbital (NBO) analysis, solvation and substituent effects for electron-releasing substituents (CH3, OH) and electron-withdrawing derivatives (Cl, NO2, CF3) in para positions on the molecular structure of the ...
Miar Marzieh +4 more
doaj +1 more source
Novel 1-(4-chlorophenyl)-3-(2-ethoxyphenyl)triazene ligand: Synthesis, X-ray crystallographic studies, spectroscopic characterization and DFT calculations [PDF]
Chemical Review and Letters, 2019 In the present work, a combined theoretical and experimental investigation on the properties of 1-(4-chlorophenyl)-3-(2-ethoxyphenyl)triazene is reported.
Fatemeh Valinia +2 more
doaj +1 more source