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分析弹性非相干中子散射的创新子波协议。

Innovative wavelet protocols in analyzing elastic incoherent neutron scattering.

机构信息

Dipartimento di Fisica dell' Università degli Studi di Messina, Viale S. D'Alcontres 31, 98166, Messina, Italy.

出版信息

J Phys Chem B. 2012 Aug 9;116(31):9417-23. doi: 10.1021/jp3060087. Epub 2012 Jul 27.

Abstract

Wavelet analysis has recently found a wide range of applications in Physics, Mathematics, and signal processing. This is mainly due to its ability to locally resolve a nonstationary signal in terms of functional forms, called mother wavelets, and to firmly locate trend anomalies in the signal. In the present paper, some examples of the application of wavelet analysis to elastic incoherent neutron scattering (EINS) data collected by the IN13 spectrometer at the Institute Laue Langevin (ILL) on water mixtures of the three homologous disaccharides, trehalose, maltose, and sucrose, and on literature data of dry and hydrated lysozyme and myoglobine as a function of temperature and of exchanged wave vector are presented. The experimental findings have been analyzed by means of a wavelet analysis that allows one to characterize the scattered elastic intensity behavior on different scales and to locate the discontinuities and the trend anomalies in the registered signal. This latter procedure is made possible thanks to the multiscale analysis, which allows, by decreasing the scale, one to localize the peculiar trend features. The entire body of the experimental findings reveals different transition temperatures for the three investigated disaccharides together with a stronger temperature dependence of the maltose/H(2)O and sucrose/H(2)O systems in comparison with the trehalose/H(2)O mixture, which signals a stronger character of this latter in comparison with the other two homologous disaccharides. These results justify the better ability of trehalose, with respect to maltose and sucrose, to encapsulate biostructures in a more rigid matrix.

摘要

小波分析最近在物理学、数学和信号处理中得到了广泛的应用。这主要是由于它能够根据功能形式(称为母小波)局部解析非平稳信号,并在信号中准确定位趋势异常。在本文中,我们将介绍小波分析在弹性非相干中子散射(EINS)数据中的一些应用实例,这些数据是由 IN13 光谱仪在法国劳厄-朗之万研究所(ILL)上对三种同源二糖(海藻糖、麦芽糖和蔗糖)的水混合物以及文献中干燥和水合溶菌酶和肌红蛋白的数据收集得到的。作为温度和交换波矢的函数。通过小波分析对实验结果进行了分析,这种分析方法允许我们在不同尺度上描述散射弹性强度的行为,并定位记录信号中的不连续性和趋势异常。这种后一种方法是通过多尺度分析实现的,通过降低尺度,可以定位特定的趋势特征。所有的实验结果都揭示了三种研究的二糖具有不同的转变温度,并且麦芽糖/H(2)O 和蔗糖/H(2)O 体系比海藻糖/H(2)O 混合物具有更强的温度依赖性,这表明后者与其他两种同源二糖相比具有更强的性质。这些结果证明了海藻糖相对于麦芽糖和蔗糖具有更好的能力,可以将生物结构封装在更刚性的基质中。

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