Direct Observation of Various Al Sites in SAPO-34by ^27Al Multiquantum(MQ) Magic Angle Spinning (MAS)NMR

The elegant 2D multiquantum (MQ) MAS NMR has been applied to investigate the coordination of Al atoms in SAPO-34.The results show that the effects of the template and /or water on the coordination of Al atoms are significant,which lead to the formation of various Al species.Up to four kinds of Al species are distinctly resolved.     

High magnetic field solid‐state NMR analyses by combining MAS,MQ‐MAS,homo‐nuclear and hetero‐nuclear correlation experiments

A general strategy of structural analysis of alumina silicate by combining various solid‐state NMR measurements such as single pulse, multi‐quantum magic angle spinning, double‐quantum homo‐nuclear correlation under magic angle spinning (DQ‐MAS), and cross‐polarization hetero‐nuclear correlation (CP‐HETCOR) was evaluated with the aid of high magnetic field NMR (800 MHz for ¹H Larmor frequency) by using anorthite as a model material. The high magnetic field greatly enhanced resolution of ²⁷Al in single pulse, DQ‐MAS, and even in triple‐quantum magic angle spinning NMR spectra. The spatial proximities through dipolar couplings were probed by the DQ‐MAS methods for homo‐nuclear correlations between both ²⁷Al–²⁷Al and ²⁹Si–²⁹Si and by CP‐HETCOR for hetero‐nuclear correlations between ²⁷Al–²⁹Si in the anorthite framework. By combining various NMR methodologies, we elucidated detailed spatial correlations among various aluminum and silicon species in anorthite that was hard to be determined using conventional analytical methods at low magnetic field. Moreover, the presented approach is applicable to analyze other alumina‐silicate minerals. Copyright © 2012 John Wiley & Sons, Ltd.     

A meshless method for Burgers’ equation using MQ-RBF and high-order temporal approximation

In this paper, a new numerical method is proposed to solve one-dimensional Burgers’ equation using multiquadric (MQ) radial basis function (RBF) for spatial approximation and a second-order compact finite difference scheme for temporal approximation. The numerical results obtained by this way for different Reynolds number have been compared with the existing numerical schemes to show the accuracy and efficiency of the approach. To show the superiority of this meshless method, numerical experiments with non-uniform MQ interpolation node distribution are also performed.     

Photoinduced electron transfer between hen egg white lysozyme and anticancer drug menadione

The protein, hen egg white lysozyme, on photoexcitation undergoes electron transfer with menadione (2-methyl-1,4-naphthoquinone), a widely known anticancer drug. With the addition of menadione the fluorescence of lysozyme is quenched with the simultaneous formation of an excited state charge-transfer complex in the longer wavelength and a ground state complex. The former is further evident from laser flash photolysis studies, which indicate a tryptophan to menadione electron transfer. From fluorescence quenching studies the binding constant is found to be ∼1.7×10⁴ M⁻¹ with the corresponding changes in enthalpy (ΔH°) and entropy (ΔS°) as 12.24 kJ mol⁻¹ and 124.12 J mol⁻¹ K⁻¹, respectively, indicative of an entropy-driven process. The circular dichroism studies also show some structural changes with increase in α-helical content in the protein on interaction with menadione. Finally, docking studies give some insight into the role of Trp 108 of lysozyme in the interaction.     

改性SiO2载体对邻菲咯啉钌荧光特性及氧敏感荧光膜性能的影响

为提高极性荧光指示剂Ru(dpp)₃Cl₂在非极性硅橡胶中的分散性,以沉淀白炭黑、气相白炭黑和甲基MQ树脂,载负荧光指示剂Ru(dpp)₃Cl₂,再填充到二甲基硅橡胶(PDMS)中,制备氧敏感荧光膜.以分光光度计和荧光光谱仪,研究载体种类对Ru(dpp)₃Cl₂的吸附性、荧光特性及氧敏感荧光膜性能的影响.白炭黑载负Ru(dpp)₃Cl₂的荧光发射光谱相对其稀溶液约红移20 nm.载体表面的甲基可减弱SiO₂载体对Ru(dpp)₃Cl₂分子的吸附性和相互作用,减少荧光发射光谱的红移12 nm,提高荧光强度近10倍.白炭黑有助改善Ru(dpp)₃Cl₂在PDMS中的分散性和氧敏感荧光膜的荧光输出和猝灭比,尤以MQ树脂的效果最为显著.     

大学物理创新实验气敏传感器（MQ3）特性研究

为了满足全校各类专业本科生对物理实验的需求,新开设了关于气敏传感器（MQ3）特性实验。通过自主设计,自主解决实验问题,以实现对气敏传感器应用由浅入深的了解。文中介绍了实验原理、实验内容及3种实验方案,最后对其测量结果进行了较详细的分析和探讨。     

新型耐热、疏水MQ硅树脂的合成与性能研究

以正硅酸乙酯、六甲基二硅氧烷和四甲基二乙烯基二硅氧烷为原料,通过在酸性条件的水解缩合反应合成了一种新型的MQ硅树脂(1),其结构经1H NMR,FT-IR和XRD表征。用静态接触角和热重分析分别研究了1的润湿性和热稳定性。结果表明:1的接触角为139°,具有良好的疏水性能;1失重5wt%的温度为456℃,具有高的热稳定性。     

真空紫外辐照对MQ增强硅橡胶热性能及光学性能的影响

 采用空间综合辐照模拟设备研究了真空紫外辐照对MQ增强加成型硅橡胶的表面形貌、质量损失、热性能及光学性能的影响。试验结果表明：真空紫外辐照后,硅橡胶表面出现损伤裂纹,随辐照剂量的增加,裂纹的数量增多;真空紫外辐照后,硅橡胶的质量有所损失,其质损率随辐照剂量的增加而增加;真空紫外辐照后硅橡胶的耐热性随辐照剂量的增加先增加而后下降;真空紫外辐照对硅橡胶材料的体膨胀/收缩变形影响不大,但对材料的光学性能有较大影响,随着辐照剂量的增加,材料的光学透过率下降。     

基于径向基函数的加权最小二乘无网格法

径向基函数插值是一种新型的无网格插值方法,具有形式简单、空间维数无关等优点.这种插值方法具有δ函数的性质,易于满足本质边界条件,且插值函数的导数求解过程比通常的移动最小二乘插值(MLS)简单,精度也较高.另一方面,通过加权最小二乘法离散控制方程不需要积分,具有效率高,精度高等优点.本文试图将两者的优点结合起来,发展一种...     

MQ拟插值求解KdV方程

Quasi-interpolation is very useful in the study of approximation theory and its applications,since it can yield solutions directly without the need to solve any linear system of equations.Based on the good performance,Chen and Wu presented a kind of multiquadric （MQ） quasi-interpolation,which is generalized from the L D operator,and used it to solve hyperbolic conservation laws and Burgers’ equation.In this paper,a numerical scheme is presented based on Chen and Wu’s method for solving the Korteweg-de Vries （KdV） equation.The presented scheme is obtained by using the second-order central divided difference of the spatial derivative to approximate the third-order spatial derivative,and the forward divided difference to approximate the temporal derivative,where the spatial derivative is approximated by the derivative of the generalized L D quasi-interpolation operator.The algorithm is very simple and easy to implement and the numerical experiments show that it is feasible and valid.