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Spherical Aromaticity of Tetrahedral Pnictogens Through <i>Off</i> ‐Nucleus Isotropic Magnetic Shielding

This work revealed the spherical aromaticity of some inorganic E4 cages and their protonated E4H+ ions (E=N, P, As, Sb, and Bi). For this purpose, we employed several evaluations like (0D-1D) nucleus independent chemical shift (NICS), multidimensional (2D-3D) off-nucleus isotropic shielding σiso(r), and natural bond orbital (NBO) analysis. The magnetic calculations involved gauge-including atomic orbitals (GIAO) with two density functionals B3LYP and WB97XD, and basis sets of Jorge-ATZP, 6-311+G(d,p), and Lanl2DZp. The Jorge-ATZP basis set showed the best consistency. Our findings disclosed non-classical aromatic characters in the above molecules, which decreased from N to Bi cages. Also, the results showed more aromaticity in E4 than E4H+. The NBO analysis attributed the aromaticity in the above molecules to the residual density of the overlapping σ-bonding orbitals. So, the aromaticity in these molecules is unlike the classical aromaticity that is associated with electron delocalization. Scanning 1D σiso(r) variation along E−E bonds indicated a lowering in the shielding trend from N to Bi cages. The 3D results showed a similar decrease in the relative volumetric diffusion of the magnetic activity, whereas the volumetric ratio of V1ppm/V2ppm is almost constant for all the E4 cages.

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Publication Date
Fri Jan 01 2016
Journal Name
Journal Of The College Of Languages (jcl)
“ASR-I CEDİD” MANZUMESİ ( İNCELEME-METİN-SÖZLÜK)

ÖZET

 

            Irak’ın osmanlıcada yazılan sayısız elyazmalar çeşitli illerinde bulunur. Bunlardan Irak’ın başkenti olan Bağdat’tır. Irak Ulusal Müzesi Bağdad’ın uygarlık yerlerindendir. Elyazması Evi müzenin en önemli bölümleri sayılır. Orada osmanlıcada yazılan çok değerli elyazmalar bulunur. Bu elyazmalarından  birisini ( fotokopi ) elde edip üzerinde çalışılmaktadır. Eser Antoloji  şeklinde yazılmış. Bu eserden Sadullah Pâşâ’nın On Dokuzuncu Asır Manzumesini seçip ele alınmaktadır.

             İki sayıfa  ve 25 sat

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Publication Date
Wed Mar 27 2019
Journal Name
Iraqi Journal Of Science
Secret-Word by e-Abacus Diagram I

This experiment may be applied before with certain and special roles, but never applied under partition theory (Abacus James Diagram) conditions. Therefore, we would have to find an appropriate design for each character to enable us sending a word represented as increasing number with meaning only for beneficiaries.

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Publication Date
Tue Sep 01 2020
Journal Name
Baghdad Science Journal
Modified Weighted Pareto Distribution Type I (MWPDTI)

In this paper, the Azzallini’s method used to find a weighted distribution derived from the standard Pareto distribution of type I (SPDTI) by inserting the shape parameter (θ) resulting from the above method to cover the period (0, 1] which was neglected by the standard distribution. Thus, the proposed distribution is a modification to the Pareto distribution of the first type, where the probability of the random variable lies within the period  The properties of the modified weighted Pareto distribution of the type I (MWPDTI) as the probability density function ,cumulative distribution function, Reliability function , Moment and  the hazard function are found. The behaviour of probability density function for MWPDTI distrib

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Publication Date
Fri Jan 01 2021
Journal Name
Ieee Access
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Publication Date
Wed Apr 01 2020
Journal Name
Canadian Journal Of Physics
Influence of the variation in the Hubbard parameter (<i>U</i>) on activation energies of CeO<sub>2</sub>-catalysed reactions

Accurate description of thermodynamic, structural, and electronic properties for bulk and surfaces of ceria (CeO2) necessitates the inclusion of the Hubbard parameter (U) in the density functional theory (DFT) calculations to precisely account for the strongly correlated 4f electrons. Such treatment is a daunting task when attempting to draw a potential energy surface for CeO2-catalyzed reaction. This is due to the inconsistent change in thermo-kinetics parameters of the reaction in reference to the variation in the U values. As an illustrative example, we investigate herein the discrepancy in activation and reaction energies for steps underlying the partial and full hydrogenation of acetyl

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Publication Date
Thu Jan 01 2015
Journal Name
Journal Of Plant Interactions
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Publication Date
Sun Jan 01 2017
Journal Name
Food And Nutrition Sciences
Optimization of Culture Conditions to Produce Phytase from &amp;lt;i&amp;gt;Aspergillus tubingensis SKA&amp;lt;/i&amp;gt;

The effects of nutrients and physical conditions on phytase production were investigated with a recently isolated strain of Aspergillus tubingensis SKA under solid state fermentation on wheat bran. The nutrient factors investigated included carbon source, nitrogen source, phosphate source and concentration, metal ions (salts) and the physical parameters investigated included inoculum size, pH, temperature and fermentation duration. Our investigations revealed that optimal productivity of phytase was achieved using wheat bran supplemented with: 1.5% glucose. 0.5% (NH4)2SO4, 0.1% sodium phytate. Additionally, optimal physical conditions were 1 × 105 spore/g substrate, initial pH of 5.0, temperature of fermentation 30˚C and fermentation dura

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Publication Date
Tue May 01 2018
Journal Name
The Journal Of Immunology
Resveratrol treatment alters lung microbiome in the murine ovalbumin-induced asthma model by increasing mucus-degrading <i>Akkermansia muciniphila</i>.
Abstract<p>Asthma is a chronic inflammatory disease that involves the narrowing of the lung airways and excessive mucus production. Resveratrol (RES), a polyphenolic stilbene, is known to control asthmatic attacks via different molecular mechanisms. However, no studies have examined the effect of resveratrol on the microbiome in the ovalbumin (OVA)-induced asthma mouse model. In this study, we induced asthma in BALB/c mice by injecting OVA followed by 7 days treatment with RES. Plethysmography showed that the expiratory resistance in the lung tissue was significantly reduced in the RES treated group, while mean volume, peak expiratory flow, and frequency of respiration was increased. Histopathol</p> ... Show More
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Publication Date
Thu Jul 11 2019
Journal Name
Turkish Journal Of Pharmaceutical Sciences
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Publication Date
Tue Jan 01 2019
Journal Name
Indian Journal Of Public Health Research &amp; Development
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