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交联性质对基于环糊精的聚合物振动动力学的影响:实验-数值研究。

Effect of cross-linking properties on the vibrational dynamics of cyclodextrins-based polymers: an experimental-numerical study.

机构信息

Department of Chemistry, Materials and Chemical Engineering "G. Natta", Politecnico di Milano , Via Mancinelli 7, 20131 Milano, Italy.

出版信息

J Phys Chem B. 2012 Jul 12;116(27):7952-8. doi: 10.1021/jp303006a. Epub 2012 Jun 28.

DOI:10.1021/jp303006a
PMID:22694243
Abstract

The vibrational dynamics of cyclodextrin nanosponges (CDNS), a new class of nanostructured soft materials synthesized via cross-linking reaction of natural cyclic oligosaccharide β-cyclodextrin (β-CD) with suitable organic reagents, is investigated by means of the combined use of Raman and infrared spectroscopy, supported by numerical simulations. The vibrational spectra of the polymers show significant changes in the frequency ranges 3000-3700 and 1500-1800 cm(-1) correlated to the relative amount of cross-linker with respect to monomeric CD. By using band deconvolution and best-fit procedure of the experimental data and quantum chemical computations, a correlation between such changes and the degree of cross-linking of the polymeric network is proposed. This experimental-numerical approach, here applied to a model class of nanoporous polymeric systems, appears to be of general application for the study of polymeric matrixes of interest for biolife applications.

摘要

通过拉曼和红外光谱相结合的方法,并辅以数值模拟,研究了通过天然环状低聚糖β-环糊精(β-CD)与合适的有机试剂交联反应合成的新型纳米结构软物质——环糊精纳米海绵(CDNS)的振动动力学。聚合物的振动光谱在频率范围 3000-3700 和 1500-1800 cm(-1)处表现出显著变化,与交联剂相对于单体 CD 的相对量有关。通过使用带分解和实验数据的最佳拟合程序以及量子化学计算,提出了这种变化与聚合物网络交联度之间的相关性。这种实验-数值方法,此处应用于一类模型纳米多孔聚合物体系,似乎可普遍适用于对生物生命应用中感兴趣的聚合物基质的研究。

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