Mn2+与聚N-异丙基丙烯酰胺相互作用的光谱研究

合成了聚N-异丙基丙烯酰胺（PNIPAAm）与Mn^2＋的配合物,并用荧光光谱、紫外-可见光谱及FTIR进行了初步表征。光谱数据说明Mn^2＋与PNIPAAm羰基氧发生了配位键合作用。由于Mn^2＋的发射光谱与PNIPAAm激发光谱部分重叠及Mn^2＋位于561nm的发射峰在Mn^2＋-PNIPAAm体系发射光谱中消失,说明发生了较好的Foerster能量传递。Mn^2＋-PNIPAAm配合物体系在307nm紫外区荧光强度比PNIPAAm增强了314％。     

双频光栅傅里叶变换轮廓术频谱混叠研究

讨论了用双频光栅方法对包含突变成份的物体产生的变形条纹进行傅里叶变换时,可能会出现频谱混叠问题.推出了低频光栅的频谱f1与高频光栅的频谱f2不相互混叠的条件,分析了探测器非线性会引起同一光栅间频谱发生混叠情况.考虑到通常情况下低频光栅频谱f1与高频光栅频谱f2的混叠起主要作用,因此在该情况下用计算机仿真与实验验证了：当f2<2f1时,f1与f2相互混叠,物体面形难以恢复;当f2>2f1时,f1与f2不相互混叠,物体面形恢复得很好.     

Luminescence excitation spectra and characteristics of luminescence centers with overlapping absorption bands

For an ensemble of different types of luminescence centers with overlapping absorption bands, with no restrictions on the optical densities, we have obtained relations describing the luminescence excitation spectra for each type of center. We consider transformations of the relations in some limiting cases. We suggest a procedure for using the equations obtained to determine the characteristics of the luminescence centers. Some of these procedures have been experimentally implemented in study of intrinsic radiation color centers in lithium fluoride crystals. We have determined the ratios of the luminescence quantum yields for F₂ and F₃⁺ color centers, and we have observed that a major role is played by nonradiative transitions in deactivation of the first excited singlet state of F₃⁺ centers. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 75, No. 3, pp. 365–371, May–June, 2008.     

A novel strategy for rapid quantification of 20(S)-protopanaxatriol and 20(S)-protopanaxadiol saponins in Panax notoginsengP. ginseng and P. quinquefolium

A novel strategy for the qualitative and quantitative determination of 20(S)-protopanaxatriol saponins (PTS) and 20(S)-protopanaxadiol saponins (PDS) in Panax notoginseng, Panax ginseng and Panax quinquefolium, based on the overlapping peaks of main components of PTS (calibrated by ginsenoside Rg1) and PDS (calibrated by ginsenoside Rb1), was proposed. The analysis was performed by using high-performance liquid chromatography coupled with evaporative light scattering detection (HPLC-ELSD). Under specific chromatographic conditions, all samples showed two overlapping peaks containing several main ginsenosides belonging to PTS and PDS, respectively. The overlapping peaks were also identified by using HPLC–MS. Based on the sum and ratio of PTS and PDS, 60 tested Panax samples were divided into three main clusters according to their species. The findings suggested that this strategy provides a simple and rapid approach to quantify PTS and PDS in Panax herbs.     

Effect of hydrophobic modification of hydroxypropyl methylcellulose on silicone oil emulsions

To study the effect of hydrophobic modification of the emulsifier on the relationship between emulsion stability and polymer emulsifier concentration, silicone oil emulsions were prepared using hydroxypropyl methylcellulose (original HPMC) and HPMC stearoxy ether (hydrophobic HPMC) at concentrations around their overlap concentrations. Both HPMC types completely emulsified the silicone oil. However, the volume fraction of silicone oil in the emulsion prepared using hydrophobic HPMC was less than that that by the original HPMC, and the average oil droplet size in the former emulsion was less than that in the latter emulsion. Increasing HPMC concentration led to increase in both the amount of adsorbed polymer emulsifier and the storage moduli in the linear region, irrespective of which HPMC was used. Stress-strain sweep curves obtained by a rheo-optical method showed that emulsions stabilized by the hydrophobic HPMC flowed slowly, even beyond the yield stress, whereas emulsions prepared using the original HPMC flowed quickly beyond the yield stress. The storage moduli of the emulsions prepared by the hydrophobic HPMC were larger than those prepared using the original HPMC.     

Selective excitation of overlapping multiplets; the application of doubly selective and chemical shift filter experiments to complex NMR spectra

Standard 1D TOCSY and NOE experiments have limitations where signals are severely overlapped. Here, two recently published selective excitation methods are evaluated, the first of which uses a chemical shift selective filter to select a single resonance based on its chemical shift, and the second of which is a doubly selective experiment comprising a 1D TOCSY preparation step and subsequent 1D NOE. We also demonstrate the improvement in spectral quality obtained by the use of the zero quantum filter, which is incorporated into both of these experiments. The application of these different methods of selectively exciting overlapped multiplets, to different types of samples is considered.     

A bounded convection scheme for the overlapping control volume approach

This paper introduces a flux-limited scheme FLOCV for the overlapping control volume (OCV) approach to 2D steady and unsteady convection–diffusion problems on structured non-orthogonal grids. FLOCV switches from second- to first-order interpolation in the presence of extrema. Smooth switching between the two is ensured by weighted average second- and first-order upwind differencing, with the weights being dynamically determined. Five convective test problems are solved using this scheme and results are compared with known analytical solutions. It is found that FLOCV approximately retains second-order accuracy of the base discretization scheme on uniform grids and smooth non-uniform orthogonal grids. It is also found effective in removing oscillations for problems with discontinuities on both orthogonal and non-orthogonal grids, with little degradation of accuracy. © 1997 John Wiley & Sons, Ltd.     

OVERLAPPING CONTROL VOLUME APPROACH FOR CONVECTION–DIFFUSION PROBLEMS

This paper introduces a finite volume method to solve 2D steady state convection–diffusion problems on structured non-orthogonal grids. Overlapping control volumes (OCV) are used to discretize the physical domain and the governing equations are solved without transformation. An isoparametric formulation is used to compute diffusion and for upwinding. Four test problems are solved using this and other schemes. The modelling of diffusion in OCV seems very effective even on distorted meshes. The convection modelling in OCV is found to be second-order-accurate, like QUICK, on regular meshes. Although its accuracy is slightly inferior to the latter on rectangular grids, its faster convergence gives it a better overall performance. On non-orthogonal grids, OCV gives better accuracy for a large and practical range of Peclet numbers than does QUICK applied to the transformed equations using the conventional five-point diffusion modelling. The results obtained also demonstrate that the scheme reduces false diffusion to a considerable extent in comparison with the power-law scheme.     

A comparison of overlapping Schwarz methods and block preconditioners for saddle point problems

Three domain decomposition methods for saddle point problems are introduced and compared. The first two are block‐diagonal and block‐triangular preconditioners with diagonal blocks approximated by an overlapping Schwarz technique with positive definite local and coarse problems. The third is an overlapping Schwarz preconditioner based on indefinite local and coarse problems. Numerical experiments show that while all three methods are numerically scalable, the last method is almost always the most efficient. Copyright © 2000 John Wiley & Sons, Ltd.     

一种基于免疫算法的新型因子分析算法

基于免疫算法的基本思想,提出了新的免疫主成分分析法(IPCA),该方法将免疫算法中抗体对抗原的消除运算应用于二维数据矩阵的正交分解,可得到矩阵的特征值和特征向量.结果表明,IPCA与传统的主成分分析法比较,对HPLC-DAD模拟信号的计算结果基本一致.对HPLC-DAD实验信号的解析结果表明,将IPCA与窗口因子分析技术结合比传统的WFA具有更强的解析能力.