摘要
为了掌握壳聚糖酶解过程产物相对分子质量分布,本文针对木瓜蛋白酶降解壳聚糖的特性,提出了“简化-复原”模拟方法,即在通过计算机随机模拟方法求出壳聚糖分子链序列分布的基础上,对其进行简化,通过统计学方法计算简化模型的相对分子质量分布,然后通过计算机随机模拟方法将简化模型产物分子复原,得到壳聚糖酶解产物相对分子质量分布。经实验论证,产物相对分子质量分布的模拟曲线和实验曲线的波峰对应的横坐标相吻合,而两者的高度并不完全一致,模拟结果能很好地反映出降解体系产物相对分子质量分布的趋势,可以作为降解产物相对分子质量分布优化控制的基础。
In order to have a grasp of the molecular weight distribution (MWD) of chitosan during the degradation, the “simplified-reverted” simulation method was proposed to simulate the MWD of chitosan after degradation by papain according to the characteristics of molecular structure of chitosan and degradation of chitosan by papain. First, the sequence distribution of molecular links was simulated and the relationship equation between the degree of deacetylation and the relative content of GIcNAc-GIcN glycosidic linkages of chitosan was set up by computer random simulation method. Then, the chitosan molecular was advisablely simplified, and the MWD of degradation product of simplified chitosan molecular model was obtained by combinatorics and statistics. In the end, the MWD of degradation product of simplified molecular model was reverted to that of real chitosan molecular. In order to testify the simulation effect and reliability, the MWD of four kinds of chitosan samples with different degree of deacetylation after hydrolysis at different degree were measured by gel-permeation chromatography, and the MWD of the same samples were simulated by the given method. It was shown that the method mentioned above could effectively predict the trend of MWD of the enzymatic degradation products of chitosan.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2005年第11期1028-1032,共5页
Computers and Applied Chemistry
基金
广西科学基金资助项目(桂科青0447009)
关键词
壳聚糖
降解
相对分子质量分布
模拟
chitosan, degradation, molecular weight distribution, simulation