双活性磺酸基蔗渣木聚糖对羟基苯甲酸酯的合成及活性模拟

以蔗渣木聚糖(BX)为主要原料、氨基三磺酸钠为酯化剂,在一步酯化合成磺酸基蔗渣木聚糖酯的基础上,利用磺酸基蔗渣木聚糖酯和对羟基苯甲酸进行二步酯化反应,合成了磺酸基蔗渣木聚糖对羟基苯甲酸酯,并考察了反应条件对酯化反应的影响,通过单因素实验确定了第二步酯化反应较佳的合成工艺条件.蔗渣木聚糖酯化改性前后的样品分别用FT-IR,DG-DTG和XRD进行了表征,并对该双酯化衍生物的分子进行了优化与活性模拟.结果表明:FT-IR证明双酯化产物含有磺酸基团和对羟基苯甲酸酯基团,TG-DTG分析表明该双酯化衍生物的热稳定性提高,XRD说明发生双酯化改性后分子排列的规整性提高,结晶度增加;活性模拟实现了磺酸基蔗渣木聚糖对羟基苯甲酸酯与艾滋病毒的对接.

Synthesis and properties investigation of dual active sulfonic groups bagasse xylan paraben

The sulfonic groups bagasse xylan ester was synthesized by using bagasse xylan as the raw material and three amino sulfonic acid sodium as esterifying agent,and then the sulfonic groups bagasse paraben was synthesized by esterifying p-hydroxy benzoic acid onto sulfonic groups bagasse xylan ester.The effects of reaction conditions were studied.The optimum conditions for the synthesis of the second step esterification were decided by single factor experiment.The samples of bagasse xylan before and after esterification were characterized by FT-IR,DG-DTG and XRD,respectively,the molecular structure and activity of double-ester derivative were optimized and simulated.The results indicated that double esterified derivative contain sulfonic acid groups and p-hydroxy benzoic acid ester groups by the FT-IR.The TG-DTG analysis showed that the thermal stability of the double ester derivatives has been improved.The XRD results indicated that the molecular arrangement of the double esterification modified molecule was enhanced,and the crystallinity was increased.The docking of the sulfonic groups bagasse paraben and the AIDS virus was achieved through the active simulation.