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161.
E. B. Tarabukina E. I. Fatullaev A. P. Filippov K. A. Abzaeva 《International Journal of Polymer Analysis and Characterization》2019,24(1):10-17
Metal complexes of polyacrylic acid containing Li, Li, and Cu, or Li and Zn have been studied in saline aqueous solutions using molecular hydrodynamics and light scattering methods. Intrinsic viscosities, weight-average molar masses, hydrodynamic radii, and radii of gyration were obtained. It was shown that the macromolecules of polymetalloacrylates containing divalent metals form small and large supramolecular structures, their dimensions, and composition being dependent on the ionic strength of the solution. 相似文献
162.
Basak Karpuz 《Mathematical Methods in the Applied Sciences》2019,42(9):2993-3001
In this paper, we give new sufficient conditions for both oscillation and nonoscillation of the delay dynamic equation where and satisfy τ(t) ≤ σ(t) for all large t and . As an important corollary, we obtain the time scale invariant integral condition for nonoscillation: for all large t. Also, with some examples, we show that newly presented results are sharp. 相似文献
163.
164.
Pierre Thureau Simone Sturniolo Miri Zilka Fabio Ziarelli Stéphane Viel Jonathan R. Yates Giulia Mollica 《Magnetic resonance in chemistry : MRC》2019,57(5):256-264
Structure determination of functional organic compounds remains a formidable challenge when the sample exists as a powder. Nuclear magnetic resonance crystallography approaches based on the comparison of experimental and Density Functional Theory (DFT)-computed 1H chemical shifts have already demonstrated great potential for structure determination of organic powders, but limitations still persist. In this study, we discuss the possibility of using 13C-13C dipolar couplings quantified on powdered theophylline at natural isotopic abundance with the help of dynamic nuclear polarization, to realize a DFT-free, rapid screening of a pool of structures predicted by ab initio random structure search. We show that although 13C-13C dipolar couplings can identify structures possessing long range structural motifs and unit cell parameters close to those of the true structure, it must be complemented with other data to recover information about the presence and the chemical nature of the supramolecular interactions. 相似文献
165.
Dr. Dmitry B. Eremin Ekaterina A. Denisova Dr. Alexander Yu. Kostyukovich Dr. Jonathan Martens Dr. Giel Berden Prof. Dr. Jos Oomens Prof. Dr. Victor N. Khrustalev Prof. Dr. Victor M. Chernyshev Prof. Dr. Valentine P. Ananikov 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(72):16564-16572
N-Heterocyclic carbene (NHC) ligands are ubiquitously utilized in catalysis. A common catalyst design model assumes strong M–NHC binding in this metal–ligand framework. In contrast to this common assumption, we demonstrate here that lability and controlled cleavage of the M−NHC bond (rather than its stabilization) could be more important for high-performance catalysis at low catalyst concentrations. The present study reveals a dynamic stabilization mechanism with labile metal–NHC binding and [PdX3]−[NHC-R]+ ion pair formation. Access to reactive anionic palladium intermediates formed by dissociation of the NHC ligands and plausible stabilization of the molecular catalyst in solution by interaction with the [NHC-R]+ azolium ion is of particular importance for an efficient and recyclable catalyst. These ionic Pd/NHC complexes allowed for the first time the recycling of the complex in a well-defined form with isolation at each cycle. Computational investigation of the reaction mechanism confirms a facile formation of NHC-free anionic Pd in polar media through either Ph–NHC coupling or reversible H–NHC coupling. The present study formulates novel ideas for M/NHC catalyst design. 相似文献
166.
Umar Farid Maria Luisa Aiello Prof. Stephen J. Connon 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(43):10074-10079
A new catalytic methodology was developed to promote an efficient one-pot kinetic resolution of racemic aldehydes with selectivity (s*) of up to 91 (99:1 d.r., >99 % ee) in a cycloaddition reaction with enolizable anhydrides to afford dihydroisocoumarin products (a core prevalent in natural products and molecules of medicinal interest) containing three contiguous stereocentres. 相似文献
167.
168.
Kate Lauder Silvia Anselmi Dr. James D. Finnigan Dr. Yuyin Qi Dr. Simon J. Charnock Dr. Daniele Castagnolo 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(46):10422-10426
The enantioselective synthesis of α-thiocarboxylic acids by biocatalytic dynamic kinetic resolution (DKR) of nitrile precursors exploiting nitrilase enzymes is described. A panel of 35 nitrilase biocatalysts were screened and enzymes Nit27 and Nit34 were found to catalyse the DKR of racemic α-thionitriles under mild conditions, affording the corresponding carboxylic acids with high conversions and good-to-excellent ee. The ammonia produced in situ during the biocatalytic transformation favours the racemization of the nitrile enantiomers and, in turn, the DKR without the need of any external additive base. 相似文献
169.
针对工件同时具有学习和退化效应、机器具有可用性限制这一问题,建立可预见性单机干扰管理模型。在这一模型中,工件的加工时间是既与工件所排的加工位置又与工件开始加工的时间有关的函数。同时,在生产过程中由于机器发生故障或定期维修等扰动事件导致机器在某段时间内不能加工工件。目标是在同时考虑原目标函数和由扰动造成的偏离函数的情况下,构建一个新的最优时间表序列。根据干扰度量函数的不同研究了两个问题,第一个问题的目标函数是极小化总完工时间与总误工时间的加权和;第二个问题的目标函数是极小化总完工时间与总提前时间的加权和。对于所研究的问题,首先证明了最优排序具有的性质,然后建立了相应的拟多项式时间动态规划算法。 相似文献
170.
We study stable blow-up dynamics in the generalized Hartree equation with radial symmetry, which is a Schrödinger-type equation with a nonlocal, convolution-type nonlinearity: First, we consider the -critical case in dimensions and obtain that a generic blow-up has a self-similar structure and exhibits not only the square root blowup rate , but also the log-log correction (via asymptotic analysis and functional fitting), thus, behaving similarly to the stable blow-up regime in the -critical nonlinear Schrödinger equation. In this setting, we also study blow-up profiles and show that generic blow-up solutions converge to the rescaled , a ground state solution of the elliptic equation . We also consider the -supercritical case in dimensions . We derive the profile equation for the self-similar blow-up and establish the existence and local uniqueness of its solutions. As in the NLS -supercritical regime, the profile equation exhibits branches of nonoscillating, polynomially decaying (multi-bump) solutions. A numerical scheme of putting constraints into solving the corresponding ordinary differential equation is applied during the process of finding the multi-bump solutions. Direct numerical simulation of solutions to the generalized Hartree equation by the dynamic rescaling method indicates that the is the profile for the stable blow-up. In this supercritical case, we obtain the blow-up rate without any correction. This blow-up happens at the focusing level , and thus, numerically observable (unlike the -critical case). In summary, we find that the results are similar to the behavior of stable self-similar blowup solutions in the corresponding settings for the nonlinear Schrödinger equation. Consequently, one may expect that the form of the nonlinearity in the Schrödinger-type equations is not essential in the stable formation of singularities. 相似文献