飞燕草素衍生物超分子共色体结构与功能关系的研究

Anthocyanins are more than nature's color. The preliminary studies are not sufficient to explain the characteristics and bioactivity of the anthocyanin pigments merely based on individual molecules. This project is to explore effects of arrangements of anthocyanins and compigments on the formation of the supramolecular copimentation and their functionality. Delphinin derivatives with multiple aromatic acyl groups will been studied for the formation of its supramolecular structure and spatial orientation of the copigmentation through plant in vivo and in vitro approaches by using spectroscopy experiments and computer molecular modeling. The coordination bond, π-π interation, and hydrogen bonds in anthocyanin supramolecues will be investigated. The effects of factors including host-guest compounds, pH, I, and temperature will be studied on the self-assemble of anthocyanin supramolecule and therefore developing the regulation mechanisms. The relationships of supramolecule structure with color properties and stability, and with tumor inhibitory effect will be explored. Anthocyanins supramolecular models for high stability and/or high biological activity will be constructed. The mechanism of inhibition activity of anthocyanins supramolecule will be explored according to multiple theories of cell proliferation, apoptosis, and DNA damage, all of which have been proved to main mechanisms for anthocyanins. Results will provide the fundamental theories and knowledge for developing the anthocyanin-type colorants and/or functional ingredients with high stability and bioactivity.

花色苷是一类"天然、营养、多功能"食用色素。前期研究揭示：仅从构成体系的分子单体不足以解释花色苷的性质与功能。本项目拟突破在花色苷呈色稳定性和生理活性方面的研究局限，从分子聚集形成（即分子单体以上的高层结构）为出发点，探索花色苷超分子共色体形成规律与功能效应关系：以飞燕草素衍生物为主要研究对象，从植物体内与体外形成途径，结合波谱实验与模拟方法，分析超分子共色体结构和空间取向，探讨配位键、π-π堆砌、氢键作用关系；围绕主客体、pH、离子强度、温度等影响因素，阐明超分子共色体自组装方式及调控机理；阐明呈色稳定性、抑制肿瘤活性的构效关系，确定具有稳定色调及高生理活性的花色苷超分子模型；在现有花色苷单体抑制肿瘤的机理（细胞增殖、凋亡、DNA损伤）基础上，从多元化途径分析其超分子共色体抑制结肠肿瘤的作用，探讨分子机理。研究结果将为发展呈色稳定、生理活性高的花色苷食用色素及功能性配料提供理论基础。

花青素是一类“天然、营养、多功能”食用色素。前期研究发现：仅从构成体系的分子性质不足以解释花青素的性质与功能。本项目拟突破花青素在呈色稳定性和生理活性方面的研究局限，从分子的聚集形成（即分子以上的高层结构）为出发点，探索花青素超分子共色体形成规律与功能效应关系：以多种花青素衍生物为研究对象，从植物体内与体外形成途径，结合波谱实验与分子模拟方法，分析超分子共色体结构和空间取向，探讨配位键、π-π堆砌、氢键的作用关系；围绕主客体、pH、温度等影响因素，阐明超分子共色体自组装形成途径及调控机理，并阐明呈色稳定性、特征生理活性的构效关系，确定具有稳定特征色调及高生理活性的花青素超分子模型；先后利用细胞模型、动物模型探讨花青素超分子共色体抗炎、抑制衰老的生理活性作用机理。研究结果将为发展呈色稳定、生理活性高的花青素食用色素及功能性配料提供理论基础。

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