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81.
Hasan Karabıyık Hande Petek Nazan Ocak İskeleli Çiğdem Albayrak 《Structural chemistry》2009,20(6):1055-1065
The molecular and crystal structure of (Z)-6-((4-bromophenylamino)methylene)-2,3-dihydroxycyclohexa-2,4-dienone were determined by single crystal X-ray diffraction
and spectroscopic methods. Molecules of the compound can be regarded as a resonance hybrid of cis-keto tautomer and zwitterionic form. Pairs of molecules of the compound generate pseudocyclic centrosymmetric R22 (10) R_{2}^{2} (10) supramolecular synthons with the aid of O–H···O type intermolecular H-bonds. Stacking of R22 (10) R_{2}^{2} (10) synthons along b-axis is stabilized by π···π interactions. Changes in both covalent topology and molecular geometry of the compound accompanying
proton transfer were monitored by a relaxed PES scan with respect to hydroxyl bond length used as redundant internal coordinate.
Quantum chemical studies at 6-311 + G(d,p) level reveal that bond lengths which are indicative to tautomerization process
cannot reach their expected values even if proton transfer occurs in gas phase and pseudo-aromatic chelate ring formation
has primary effect on the stabilization of NH tautomer. Resonance-assisted intramolecular H-bond affects the electronic state
of its neighboring aromatic fragments. 相似文献
82.
83.
Korhan Ozgan Ayse T. Daloglu A. İhsan Karakaş 《Archive of Applied Mechanics (Ingenieur Archiv)》2013,83(4):549-558
The soil depth is generally considered to be constant for the analysis of plates resting on elastic foundation in the literature. However, it is most reasonable to have a variable subsoil depth as the plate dimensions get larger. In present study, linearly varying subsoil depth is considered as well as constant, linear and quadratic variation of modulus of elasticity with subsoil depth. Also, a parametric study is performed to demonstrate the behavior of thick plates on elastic foundations with variable soil depth. Modified Vlasov Model is used for the analysis of the plate foundation system, and 8-noded Mindlin plate element incorporating shear strain throughout plate thickness is used for the finite element model. Numerical examples are obtained from the literature to compare results and to show the influence of variable soil stratum depth on the behavior of plates. Displacements, bending moments, and shear forces are presented in tabular and graphical formats. As far as results are compared, it can be concluded that variable soil depth significantly affects the variation of the displacements and therefore the internal forces of the plate while keeping it constant ends up with unrealistic results. 相似文献
84.
İbrahim Doymaz 《Heat and Mass Transfer》2013,49(6):835-841
Drying characteristics of purslane was experimentally studied in a cabinet dryer. The experimental drying data were fitted best to Modified Henderson and Pabis and Midilli et al. models apart from other models to predict the drying kinetics. The effective moisture diffusivity varied from 1.12 × 10?9 to 3.60 × 10?9 m2/s over the temperature range studied and activation energy was 53.65 kJ/mol. 相似文献
85.
The title molecule, N-diphenylphosphino-4-methylpiperidine selenide(1), was prepared and characterized by elemental analysis, 1H-NMR, 31P-{1H} NMR, IR, and X-ray single-crystal determination. The compound crystallizes in the monoclinic space group P 21/c. In addition to the molecular geometry from X-ray determination, vibrational frequencies and gauge, including atomic orbital (GIAO) 1H- and 31P-{1H} NMR chemical shift values of the title compound (1) in the ground state, were calculated using the Hartree–Fock and density functional methods with the 6-31G(d, p) basis set. The calculated results show that the optimized geometries can well reproduce the crystal structures. Besides, the theoretical vibrational frequencies and chemical shift values show good agreement with experimental values. The predicted nonlinear optical (NLO) properties of the title compound are greater than those of urea. In addition, density functional theory (DFT) calculations of the molecular electrostatic potentials (MEPs), frontier molecular orbitals (FMOs) of the title compound were carried out at the B3LYP/6-31G(d) level of theory. 相似文献
86.
The radiosterilization potential and dosimetric feature of allantoin were investigated through the molecular degradations produced after ultraviolet and gamma irradiation using electron spin resonance, infrared, and ultraviolet spectroscopies and thermal measurement techniques (differential thermal analysis and the glass transition temperature). Although ultraviolet-irradiated allantoin presents no electron spin resonance signal, gamma irradiation exhibited an electron spin resonance signal of triplet appearance. Room temperature and high-temperature line intensity and spectrum area data and their variations with applied microwave power, storage time, annealing time, annealing temperature, and applied radiation dose were analyzed by assuming the production of two different types of radicals having different spectroscopic and decay characteristics. Based on its relatively stable nature toward gamma and ultraviolet radiations, it was concluded that allantoin itself and the products containing it can be sterilized by gamma and/or ultraviolet radiations without creating a great loss in its beneficial effects in the allowed radiosterilization dose limits. 相似文献
87.
Güleç Özcan Türkeş Cüneyt Arslan Mustafa Demir Yeliz Yeni Yeşim Hacımüftüoğlu Ahmet Ereminsoy Ergün Küfrevioğlu Ömer İrfan Beydemir Şükrü 《Molecular diversity》2022,26(5):2825-2845
Molecular Diversity - The acetylcholinesterase and carbonic anhydrase inhibitors (AChEIs and hCAIs) remain key therapeutic agents for many bioactivities such as anti-Alzheimer and antiobesity... 相似文献
88.
Let u = (u
n
) be a sequence of real numbers whose generator sequence is Cesàro summable to a finite number. We prove that (u
n
) is slowly oscillating if the sequence of Cesàro means of (ω
n
(m−1)(u)) is increasing and the following two conditions are hold:
$\begin{gathered}
\left( {\lambda - 1} \right)\mathop {\lim \sup }\limits_n \left( {\frac{1}
{{\left[ {\lambda n} \right] - n}}\sum\limits_{k = n + 1}^{\left[ {\lambda n} \right]} {\left( {\omega _k^{\left( m \right)} \left( u \right)} \right)^q } } \right)^{\frac{1}
{q}} = o\left( 1 \right), \lambda \to 1^ + , q > 1, \hfill \\
\left( {1 - \lambda } \right)\mathop {\lim \sup }\limits_n \left( {\frac{1}
{{n - \left[ {\lambda n} \right]}}\sum\limits_{k = \left[ {\lambda n} \right] + 1}^n {\left( {\omega _k^{\left( m \right)} \left( u \right)} \right)^q } } \right)^{\frac{1}
{q}} = o\left( 1 \right), \lambda \to 1^ - , q > 1, \hfill \\
\end{gathered}$\begin{gathered}
\left( {\lambda - 1} \right)\mathop {\lim \sup }\limits_n \left( {\frac{1}
{{\left[ {\lambda n} \right] - n}}\sum\limits_{k = n + 1}^{\left[ {\lambda n} \right]} {\left( {\omega _k^{\left( m \right)} \left( u \right)} \right)^q } } \right)^{\frac{1}
{q}} = o\left( 1 \right), \lambda \to 1^ + , q > 1, \hfill \\
\left( {1 - \lambda } \right)\mathop {\lim \sup }\limits_n \left( {\frac{1}
{{n - \left[ {\lambda n} \right]}}\sum\limits_{k = \left[ {\lambda n} \right] + 1}^n {\left( {\omega _k^{\left( m \right)} \left( u \right)} \right)^q } } \right)^{\frac{1}
{q}} = o\left( 1 \right), \lambda \to 1^ - , q > 1, \hfill \\
\end{gathered} 相似文献
89.
Ru(II) complexes of the general formula [RuCl2(′′)(L)] (1: ′N = Nb, L = MeOH; 2: ′N = Nb, L = CH3CN; 3: ′N = Nd, L = CH3CN; 4: ′N = Np, L = CH3CN), [Ru(p‐cymene)(a–b)Cl]Cl (5a: N Na = 2,2′‐bipyridine; 5b: N Nb = 4,4′‐dimethyl–2,2′‐bipyridine), [Ru(′′)(a–b)Cl]Cl (6a: ′N = Nb, a = 2,2′‐bipyridine; 6b: ′N = Nb, b = 4,4′‐dimethyl‐2,2′‐bipyridine; 7a: ′N = Nd, a = 2,2′‐bipyridine; 7b: ′N = Nd, b = 4,4′‐dimethyl‐2,2′‐bipyridine; 8a: ′N = Np, a = 2,2′‐bipyridine; 8b: ′N = Np, b = 4,4′‐dimethyl‐2,2′‐bipyridine) and [Ru(′′)(a)Cl]BF4 (9a: ′N = Nb; a = 2,2′‐bipyridine) were synthesized from the corresponding [RuCl2(p‐cymene)]2 dimer, ′′ and a–b ligands. The compounds were characterized by elemental analysis, IR and NMR. Complex 9a was studied by X‐ray diffraction, confirming its cationic‐mononuclear [RuCl(bb)(a)]+ nature. The synthesized Ru(II) complexes (1–8) were employed as catalysts for the transfer hydrogenation of ketones to secondary alcohols in the presence of KOH using 2‐propanol as a hydrogen source at 82°C. The rates of the transfer hydrogenation reactions strongly depended on the type of and ancillary ligands. Copyright © 2012 John Wiley & Sons, Ltd. 相似文献
90.
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