Photochromism and decolorization controlled by auxiliary ligands of complexes derived from 1‐methyl‐4,4′‐bipyridinium cation

Three 1‐methyl‐4,4′‐bipyridinium (MQ⁺)‐based complexes, {[Cd(MQ)(p‐BDC)Br]?H₂O}_n ( 1 ), {[Cd(MQ)(m‐BDC)(H₂O)Br]?3H₂O}_n ( 2 ) and Cu(MQ)Br₂ ( 3 ) (p‐H₂BDC = 1,4‐benzenedicarboxylic acid, m‐H₂BDC = 1,3‐benzenedicarboxylic acid), have been synthesized and structurally characterized. Compounds 1 and 2 are one‐dimensional coordination polymers constituted of one coordinated MQ⁺ cation, one coordinated Br^? ion and chains of Cd²⁺ ions connected by deprotonated BDC^2? units, which both have photochromism but different decolorization behaviors. The structures and photoresponsive behaviors controlled by auxiliary ligands have been explored. Compound 3 is constituted of one Cu⁺ center, one MQ⁺ ligand and two coordinated Br^? ions in a ‘V’ configuration, exhibiting no photochromism.     

Synchronized double rotation 2D NMR

Analytical expressions for multi-quantum signal generation of quadrupole nuclei have been derived. Combined with numerical simulation of the double rotor motion, a strategy is suggested for partial sideband suppression in multi-quantum NMR spectra. Synchronization of multi-quantum excitation and selective flip pulses with outer rotor motion increase outer rotor speed effectively two times. This is also demonstrated experimentally by triple–single quantum correlation spectra of ²³Na and ⁶⁷Rb.     

A numerical method for KdV equation using collocation and radial basis functions

Recently, there has been an increasing interest in the study of initial boundary value problems for Korteweg–de Vries (KdV) equations. In this paper, we propose a numerical scheme to solve the third-order nonlinear KdV equation using collocation points and approximating the solution using multiquadric (MQ) radial basis function (RBF). The scheme works in a similar fashion as finite-difference methods. Numerical examples are given to confirm the good accuracy of the presented scheme.     

THE EFFECT OF THE ACID CATALYST ON THE PREPARATION OF MQ SILICONE RESINS

MQ silicone resins were prepared through hydrolytic condensation of ethyl polysilicate ortetraethoxysilane and hexamethyl disiloxane. The unit ratio of the MQ resins was determined by ~(29)Si-NMR.The relationship of the unit ratio of the product resins with that in the feed was studied. When the reactionwas catalyzed by aqueous hydrochloric acid, and the unit ratio of M to Q in the feed was more than 1, the unitratio of the product was usually lower than that of the feed. The MQ silicon with an unit ratio of M/Q>2could not be obtained. However, if the reaction was catalyzed by concentrated sulfuric acid and the reversehydrolysis process was employed, MQ silicone resin with very high M/Q ratio was successfully prepared.     

Numerical solution of the system of second-order boundary value problems using the local radial basis functions based differential quadrature collocation method

In this research, we propose a numerical scheme to solve the system of second-order boundary value problems. In this way, we use the Local Radial Basis Function Differential Quadrature (LRBFDQ) method for approximating the derivative. The LRBFDQ method approximates the derivatives by Radial Basis Functions (RBFs) interpolation using a small set of nodes in the support domain of any node. So the new scheme needs much less computational work than the globally supported RBFs collocation method. We use two techniques presented by Bayona et al. (2011, 2012) [29], [30] to determine the optimal shape parameter. Some examples are presented to demonstrate the accuracy and easy implementation of the new technique. The results of numerical experiments are compared with the analytical solution, finite difference (FD) method and some published methods to confirm the accuracy and efficiency of the new scheme presented in this paper.     

Synthesis and characterization of ureido-containing MQ silicone resin

Abstract

Ureido-containing MQ silicone resin (U-MTQ) was synthesized by the hydrolysis and co-condensation reaction of ethyl silicate, ureido silane, hexamethyldisiloxane, and divinyltetramethyldisiloxane under the catalysis of hydrochloric acid. U-MTQ was characterized by FT-IR, ¹H-NMR, ²⁹Si-NMR, GPC and TGA. The influences of M/Q molar ratio and hydrochloric acid content on the yield and structure of U-MTQ were investigated. The results showed that the M/Q molar ratio of the product calculated from the ²⁹Si-NMR spectrum was much smaller than that in the feed. As M/Q molar ratio in the feed increased, the molecular weight and its distribution index of U-MTQ decreased, and Si-OH content of U-MTQ also decreased, while the structural regularity of U-MTQ was enhanced. With HCl content increasing, the molecular weight and its distribution index of U-MTQ decreased, but the Si–OH content and structural regularity increased. Meanwhile, the yield first increased and then decreased, and reached the highest value of 71.9% when HCl content was 2.10%. Compared with MQ, the onset weight loss temperature of U-MTQ decreased from 237?°C to 158?°C, and the residue at 900?°C increased from 3.5% to 29.5%.     

Proton conductivity survey of the acid doped copolymers based on 4‐vinylbenzylboronic acid and 4(5)‐vinylimidazole

In this work, poly(4‐vinylbenzylboronic acid‐co‐4(5)‐vinylimidazole) (poly(4‐VBBA‐co‐4‐Vim)) copolymers were synthesized by free‐radical copolymerization of the monomers 4‐VBBA and 4‐Vim at various monomer feed ratios. The copolymers were characterized by ¹H MAS NMR and ¹¹B MQ‐MAS NMR methods and the copolymer composition was determined via elemental analysis. The membrane properties of these copolymers were investigated after doping with phosphoric acid at several stoichiometric ratios. The proton exchange reaction between acid and heterocycle is confirmed by FTIR. Thermal properties of the samples were investigated via thermogravimetric analysis (TGA) and Differential scanning calorimetry (DSC). The morphology of the copolymers was characterized by x‐ray diffraction, XRD. The temperature dependence of proton conductivities of the samples was investigated by means of impedance spectroscopy. Proton conductivity of the copolymers increased with the doping ratio and reached to 0.0027 S/cm for poly(4‐VBBA‐co‐4‐Vim)/2H₃PO₄ in the anhydrous state. The boron coordination in the copolymer was determined by ¹¹B MQ‐MAS experiment and the coexistence of three and four coordinated boron sites was observed. © 2009 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 47: 1267–1274, 2009     

Development of a local MQ‐DQ‐based stencil adaptive method and its application to solve incompressible Navier–Stokes equations

In this paper, a local stencil adaptive method is presented, which is designed for solving computational fluid dynamics (CFD) problems with curved boundaries accurately. A local multiquadric‐differential quadrature (MQ‐DQ) method is used to discretize the governing equations, taking advantage of its meshless nature. The present method bears the properties of both local MQ‐DQ method and local stencil adaptive method and is thus named the local MQ‐DQ‐based stencil adaptive method. Two test problems with curved boundaries are solved to investigate the performance of this solution‐adaptive method. The numerical results indicate that the proposed method is effective and efficient by combining the advantages of meshless property for complex geometries and local adaptation for accuracy improvement. Copyright © 2007 John Wiley & Sons, Ltd.     

2-甲基-1,4-萘醌对DNA光敏损伤的诱导作用

选择波长337 nm的激光作为激励光源,借助凝胶电泳研究了2-甲基-1,4-萘醌诱导的DNA光敏损伤.结果表明:在氧气饱和、脱氧条件下光敏损伤显著,DNA损伤主要与光子剂量、核酸与萘醌浓度比及DNA存在形式有关.