Efficient catalysis in dynamic nanomicelles of PS-750-M suspended in water

This review demonstrates the multiple roles of surfactants in aqueous micellar catalysis. It covers the design and recent applications of proline-based amphiphile PS-750-M, including completely organic solvent-free amide couplings, C–H fluorination of arenes and heteroarenes achieved via radical pathway facilitated by the shielding effect of micelles. In addition, it critically sheds light on selective hydrogenolysis and cross-couplings of water-sensitive acid chlorides in water, catalyzed by phosphine ligand-free Pd (0) nanoparticles. The metal-micelle interaction responsible for catalytic activities as probed by various spectroscopic techniques is also discussed.     

Two new integrable couplings of the soliton hierarchies with self-consistent sources

A kind of integrable coupling of soliton equations hierarchy with self-consistent sources associated with sl(4) has been presented (Yu F J and Li L 2009 Appl. Math. Comput. 207 171; Yu F J 2008 Phys. Lett. A 372 6613). Based on this method, we construct two integrable couplings of the soliton hierarchy with self-consistent sources by using the loop algebra sl(4). In this paper, we also point out that there are some errors in these references and we have corrected these errors and set up new formula. The method can be generalized to other soliton hierarchy with self-consistent sources.     

考虑Soret和Dufour效应的方腔内双扩散自然对流格子Boltzmann模拟

采用格子Boltzmann方法,考虑Soret和Dufour效应,对内置高浓度发热圆的方腔内部双扩散自然对流现象进行数值模拟.高浓度发热圆位于方腔中心,四周壁面均为低温低浓度.在该模型中,用三个独立的LBGK方程分别模拟速度场、温度场和浓度场,并通过Boussinesq近似将它们耦合起来.分析Soret数和Dufour数对方腔内部双扩散自然对流的影响,得到流线图、等温线图、等浓度线图、发热圆表面平均Nusselt数和平均Sherwood数.结果表明：Soret和Dufour效应对方腔内双扩散自然对流影响明显,不能忽略.     

Higher-Dimensional Lie Algebra and New Integrable Coupling of Discrete KdV Equation

Based on semi-direct sums of Lie subalgebra \tilde{G}, a higher-dimensional 6 x 6 matrix Lie algebra sμ(6) is constructed. A hierarchy of integrable coupling KdV equation with three potentials is proposed, which is derivedfrom a new discrete six-by-six matrix spectral problem. Moreover, the Hamiltonian forms is deduced for lattice equation in the resulting hierarchy by means of the discrete variational identity --- a generalized trace identity. A strong symmetry operator of the resulting hierarchy is given. Finally, we provethat the hierarchy of the resulting Hamiltonian equations is Liouville integrable discrete Hamiltonian systems.     

Evaluating the accuracy of theoretical one‐bond 13C─13C scalar couplings and their ability to predict structure in a natural product

This study explores the feasibility of using a combination of experimental and theoretical 1‐bond ¹³C─¹³C scalar couplings (¹J_CC) to establish structure in organic compounds, including unknowns. Historically, ⁿJ_CC and ⁿJ_CH studies have emphasized 2 and 3‐bond couplings, yet ¹J_CC couplings exhibit significantly larger variations. Moreover, recent improvements in experimental measurement and data processing methods have made ¹J_CC data more available. Herein, an approach is evaluated in which a collection of theoretical structures is created from a partial nuclear magnetic resonance structural characterization. Computed ¹J_CC values are compared to experimental data to identify candidates giving the best agreement. This process requires knowledge of the error in theoretical methods, thus the B3LYP, B3PW91, and PBE0 functionals are evaluated by comparing to 27 experimental values from INADEQUATE. Respective errors of ±1.2, ±3.8, and ±2.3 Hz are observed. An initial test of this methodology involves the natural product 5‐methylmellein. In this case, only a single candidate matches experimental data with high statistical confidence. This analysis establishes the intramolecular hydrogen‐bonding arrangement, ring heteroatom identity, and conformation at one position. This approach is then extended to hydroheptelidic acid, a natural product not fully characterized in prior studies. The experimental/theoretical approach proposed herein identifies a single best‐fit structure from among 26 candidates and establishes, for the first time, 1 configuration and 3 conformations to complete the characterization. These results suggest that accurate and complete structural characterizations of many moderately sized organic structures (<800 Da) may be possible using only ¹J_CC data.     

Linear and non-linear double diffusive convection in a rotating porous layer using a thermal non-equilibrium model

Double diffusive convection in a fluid-saturated rotating porous layer heated from below and cooled from above is studied when the fluid and solid phases are not in local thermal equilibrium, using both linear and non-linear stability analyses. The Darcy model that includes the time derivative and Coriolis terms is employed as momentum equation. A two-field model that represents the fluid and solid phase temperature fields separately is used for energy equation. The onset criterion for stationary, oscillatory and finite amplitude convection is derived analytically. It is found that small inter-phase heat transfer coefficient has significant effect on the stability of the system. There is a competition between the processes of thermal and solute diffusions that causes the convection to set in through either oscillatory or finite amplitude mode rather than stationary. The effect of solute Rayleigh number, porosity modified conductivity ratio, Lewis number, diffusivity ratio, Vadasz number and Taylor number on the stability of the system is investigated. The non-linear theory based on the truncated representation of Fourier series method predicts the occurrence of subcritical instability in the form of finite amplitude motions. The effect of thermal non-equilibrium on heat and mass transfer is also brought out.     

Synthesis,characterization, electrochemical,catalytic and antimicrobial activity studies of hydrazone Schiff base ruthenium(II) complexes

Four tridentate O, N, O donor Schiff base ligands were prepared by the reaction of substituted benzhydrazide and appropriate salicylaldehyde. The complexes of these ligands were synthesized by refluxing the ligands with ruthenium(II) starting complexes of the formula [RuHCl(CO)(EPh₃)₂B] in benzene, where E = P or As; B = PPh₃ or AsPh₃ or pyridine. The newly synthesized complexes were characterized by elemental, spectral (FT‐IR, UV and NMR) and electrochemical data. On the basis of the above studies, an octahedral structure has been proposed for all the complexes. The catalytic efficiency of the complexes in aryl–aryl couplings and oxidation of alcohols was examined and their inhibition activity against the growth of the micro‐organisms was also examined. Copyright © 2009 John Wiley & Sons, Ltd.     

Chemical shift assignment and conformational analysis of monoalkylated acylguanidines

Monoalkylated acylguanidines are important functional groups in many biologically active compounds and additionally applied in coordination chemistry. Yet a straightforward assignment of the individual NH chemical shifts and the acylguanidine conformations is still missing. Therefore, in this study, NMR spectroscopic approaches for the chemical and especially the conformational assignment of protonated monoalkylated acylguanidines are presented. While NOESY and ³J_{H, H} scalar couplings cannot be applied successfully for the assignment of acylguanidines, ⁴J_{H, H} scalar couplings in ¹H,¹H COSY spectra allow for an unambiguous chemical shift and conformational assignment. It is shown that these ⁴J_{H, H} long‐range couplings between individual acylguanidinium NH resonances are observed solely across all‐trans (w) pathways. Already one cis orientation in the magnetisation transfer pathway leads to signal intensities below the actual detection limit and significantly lower than cross‐peaks from ²J_{NH, NH} couplings or chemical exchange. However, it should be noted that also in the case of conformational exchange being fast on the NMR time scale, averaged cross‐peaks from all‐trans ⁴J_{H, H} scalar couplings are detected, which may lead at first glance to an incomplete or even wrong conformational analysis. Copyright © 2010 John Wiley & Sons, Ltd.     

Une modélisation thermomécanique unidimensionnelle de la propagation d'un front de changement de phase dans un monocristal d'AMFA one-dimensional thermomechanical modeling of phase change front propagation in a SMA monocrystal

We propose a behavioral modeling that takes into account the thermomechanical couplings accompanying the phase transition in single-crystal CuZnAl samples. The goal of this model is to put forward the significant role played by the heat diffusion in the propagation mode of the phase change fronts. Numerical simulations showed the existence of such a phase change front and predicted the calorimetric and kinematic effects accompanying its propagation. In particular, an inversion of the propagation way during a creep test and caused by an increase of the room temperature was correctly simulated by the model. To cite this article: A. Chrysochoos et al., C. R. Mecanique 331 (2003).     

Nondegenerate plasma with a diffusive boundary condition in a high-frequency electric field near resonance

An analytical solution of the linearized problem concerning the behavior of collisional non-degenerate plasma in an external electric field is obtained. It is assumed that the electrons are diffusively scattered from the plasma boundary. The resulting solution is used to determine the screening field. The case of a high-frequency external field with a frequency close to the plasma resonance frequency is examined.