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91.
Research on Chemical Intermediates - The aim of present investigation is survey reactivity of 2-aminopyridine and Meldrum’s acid in the presence of aryl glyoxals or aryl aldehydes. The ethyl...  相似文献   
92.
[(Ph3P)3Ru(L)(H)2] (where L=H2 ( 1 ) in the presence of styrene, Ph3P ( 3 ), and N2 ( 4 )) cleave the Ph X bond (X=Cl, Br, I) at RT to give [(Ph3P)3RuH(X)] ( 2 ) and PhH. A combined experimental and DFT study points to [(Ph3P)3Ru(H)2] as the reactive species generated upon spontaneous loss of L from 3 and 4 . The reaction of 3 with excess PhI displays striking kinetics which initially appears zeroth order in Ru. However mechanistic studies reveal that this is due to autocatalysis comprising two factors: 1) complex 2 , originating from the initial PhI activation with 3 , is roughly as reactive toward PhI as 3 itself; and 2) the Ph I bond cleavage with the just‐produced 2 gives rise to [(Ph3P)2RuI2], which quickly comproportionates with the still‐present 3 to recover 2 . Both the initial and onward activation reactions involve PPh3 dissociation, PhI coordination to Ru through I, rearrangement to a η2‐PhI intermediate, and Ph I oxidative addition.  相似文献   
93.
Abstract

Gelatin/montmorillonite bionanocomposite hydrogels containing 0, 5 and 10?wt.% of montmorillonite were prepared via two different techniques, either a cooling or drying method. In addition, gelatin/polyvinyl alcohol/montmorillonite bionanocomposite hydrogels having gelatin/polyvinyl alcohol ratios of 1/1, 1/2 and 2/1, loaded with 0, 5 and 10?wt.% of montmorillonite, were prepared via a cyclic freezing-thawing technique. The microstructural properties of both types of the prepared bionanocomposite hydrogels were investigated using X-ray diffraction (XRD) and scanning electron microscopy (SEM). The gel fraction, swelling behavior and drying kinetics of all prepared bionanocomposite hydrogels were also studied. The XRD and SEM results showed a porous structure with a possible exfoliated morphology for both types of the prepared bionanocomposite hydrogels. In addition, the gel fraction of the bionanocomposite hydrogels increased and a more entangled and crosslinked network with a decreased pore size was obtained by increasing the loading level of montmorillonite for both types of the bionanocomposite hydrogels. The swelling ratio and drying rate of both types of the bionanocomposite hydrogels could be increased by decreasing the PVA portion or MMT loading level, while the swelling and drying ability of the gelatin/montmorillonite bionanocomposite hydrogels prepared via the cooling method was higher than those of the corresponding samples prepared via the drying method.  相似文献   
94.
Mutating the side-chains of amino acids in a peptide ligand, with unnatural amino acids, aiming to mitigate its short half-life is an established approach. However, it is hypothesized that mutating specific backbone peptide bonds with bioisosters can be exploited not only to enhance the proteolytic stability of parent peptides, but also to tune its receptor subtype selectivity. Towards this end, four [Y]6-Angiotensin II analogues are synthesized where amide bonds have been replaced by 1,4-disubstituted 1,2,3-triazole isosteres in four different backbone locations. All the analogues possessed enhanced stability in human plasma in comparison with the parent peptide, whereas only two of them achieved enhanced AT2R/AT1R subtype selectivity. This diversification has been studied through 2D NMR spectroscopy and unveiled a putative more structured microenvironment for the two selective ligands accompanied with increased number of NOE cross-peaks. The most potent analogue, compound 2 , has been explored regarding its neurotrophic potential and resulted in an enhanced neurite growth with respect to the established agent C21.  相似文献   
95.
The intermolecular potential energy surface of Ne···NCCN van der Waals complex was evaluated in the framework of the counterpoise-corrected supermolecular approach using CCSD(T) level and aug-cc-pVDZ basis set extended with a set of midbond (3s3p2d1f1g) functions. The effect of the place of midbond function on the accuracy of the calculated potential energy surface was examined and the optimised position for placing midbond function was determined. The calculated potential energy surface was fitted by an analytical function. The analytical function of intermolecular potential energy surface of Ne···NCCN demonstrated a global minimum energy of ?12.024 meV related to the T-shape geometry at the distance between Ne and the centre of mass of NCCN of 3.28 Å. Finally, the interaction second virial coefficients (B12) of Ne and NCCN were calculated and used to calculate the second virial coefficients for the mixture of neon and cyanogen gases at different mole fractions of Ne gas.  相似文献   
96.
PurposeCompressed sensing (CS) provides a promising framework for MR image reconstruction from highly undersampled data, thus reducing data acquisition time. In this context, sparsity-promoting regularization techniques exploit the prior knowledge that MR images are sparse or compressible in a given transform domain. In this work, a new regularization technique was introduced by iterative linearization of the non-convex smoothly clipped absolute deviation (SCAD) norm with the aim of reducing the sampling rate even lower than it is required by the conventional l1 norm while approaching an l0 norm.Materials and MethodsThe CS-MR image reconstruction was formulated as an equality-constrained optimization problem using a variable splitting technique and solved using an augmented Lagrangian (AL) method developed to accelerate the optimization of constrained problems. The performance of the resulting SCAD-based algorithm was evaluated for discrete gradients and wavelet sparsifying transforms and compared with its l1-based counterpart using phantom and clinical studies. The k-spaces of the datasets were retrospectively undersampled using different sampling trajectories. In the AL framework, the CS-MRI problem was decomposed into two simpler sub-problems, wherein the linearization of the SCAD norm resulted in an adaptively weighted soft thresholding rule with a sparsity enhancing effect.ResultsIt was demonstrated that the proposed regularization technique adaptively assigns lower weights on the thresholding of gradient fields and wavelet coefficients, and as such, is more efficient in reducing aliasing artifacts arising from k-space undersampling, when compared to its l1-based counterpart.ConclusionThe SCAD regularization improves the performance of l1-based regularization technique, especially at reduced sampling rates, and thus might be a good candidate for some applications in CS-MRI.  相似文献   
97.

In this paper, the robust finite-time tracking problem is addressed for a square fully actuated class of nonlinear systems subjected to disturbances and uncertainties. Firstly, two applicable lemmas are derived and novel nonlinear sliding surfaces (manifolds) are defined by applying these lemmas. Secondly, by developing the nonsingular terminal sliding mode control, two different types of robust nonlinear control inputs are designed to meet and accomplish the aforementioned finite-time tracking objective. The global finite-time stability of the closed-loop nonlinear system is evaluated analytically and mathematically. The proposed control inputs are utilized to tackle and solve two interesting issues containing (a): the finite-time tracking problem of the unified chaotic system and (b): the finite-time synchronization of two non-identical hyperchaotic systems. Finally, based on MATLAB software, two numerical simulations are carried out to illustrate and demonstrate the effectiveness and performance of the proposed robust finite-time nonlinear control schemes.

  相似文献   
98.
A crystal plasticity finite element code is developed to model lattice strains and texture evolution of HCP crystals. The code is implemented to model elastic and plastic deformation considering slip and twinning based plastic deformation. The model accounts for twinning reorientation and growth. Twinning, as well as slip, is considered to follow a rate dependent formulation. The results of the simulations are compared to previously published in situ neutron diffraction data. Experimental results of the evolution of the texture and lattice strains under uniaxial tension/compression loading along the rolling, transverse, and normal direction of a piece of rolled Zircaloy-2 are compared with model predictions. The rate dependent formulation introduced is capable of correctly capturing the influence of slip and twinning deformation on lattice strains as well as texture evolution.  相似文献   
99.
In this paper, we introduce a modification of He’s variational iteration, homotopy analysis and optimal homotopy analysis methods for solving fractional boundary value problems. It is illustrated that the proposed methods are powerful fast numerical tools to find accurate solutions. It is illustrated that efficiency of these methods is based on proper choosing of initial guess.  相似文献   
100.
Boroujeni  K. P.  Shahrokh  M.  Kiani  K.  Farokhnia  A.  Kazemi  R.  Kheiri  F. 《Russian Journal of Organic Chemistry》2020,56(10):1823-1831
Russian Journal of Organic Chemistry - Some bimetallic and trimetallic magnetic nanoalloys based on cobalt, copper, and silver have been synthesized and used as and green catalysts for the...  相似文献   
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