糖用松香基脱色树脂吸附焦糖色素相互作用微观机制  

Microscopic Mechanism of the Interaction in the Adsorption of Caramel Pigments onto Rosin-Based Decolorizing Resin for Sugar

作　　者：韦艳红 王佳欣 焦丽 廖春玉 雷福厚 李文 WEI Yanhong;WANG Jiaxin;JIAO Li;LIAO Chunyu;LEI Fuhou;LI Wen(Guangxi Collaborative Innovation Center for Chemistry and Engineering of Forest Products,Guangxi Key Laboratory of Chemistry and Engineering of Forest Products,Key Laboratory of Chemistry and Engineering of Forest Products(State Ethnic Affairs Commission),School of Chemistry and Chemical Engineering,Guangxi Minzu University,Nanning 530008,China)

机构地区：[1]广西民族大学化学化工学院,林产化学与工程国家民委重点实验室,广西林产化学与工程重点实验室,广西林产化学与工程协同创新中心,广西南宁530008

出　　处：《食品科学》2024年第24期17-25,共9页Food Science

基　　金：国家自然科学基金青年科学基金项目(32001741);广西创新驱动发展专项资金项目(桂科AA22117014-4);广西自然科学基金青年科学基金项目(2021GXNSFBA076002)。

摘　　要：精制糖生产中,回溶糖浆脱色是最为关键的工序。目前普遍应用苯系阴离子交换树脂吸附脱色,但其单体缓慢释放可能会危及食品安全。本研究通过合成绿色、环境友好型松香基大孔阴离子吸附树脂,用于高效捕获糖浆中焦糖色素。结果表明,树脂对焦糖色素的平衡吸附量为86 mg/g,对应色素去除率高达90%,且经5次循环使用后,脱色效率仅下降5%,体现出其优异的可重复利用性。此外,基于量子化学理论计算中静电势、静电势相互作用、平均局部电离能、前沿分子轨道、独立梯度模型及Hirshfeld表面分析,于分子、原子及电子水平多维度可视化松香基糖汁脱色树脂吸附焦糖色素相互作用微观机制。结果表明,吸附过程发生正负电势中和、电势相互穿透,相互作用机制主要由羧酸根与质子化叔胺基团之间亲电反应介导,其次是弱的氢键作用,且树脂为氢键供体。本实验所提出耦联多重量子化学理论计算可视化吸附相互作用微观机制的研究方法可为探明深层次吸附行为机理提供新视阈,具有一定理论贡献与实践价值。Decolorization of remelt syrup is the most critical step in sugar refining.Currently,benzene-based anionadsorption resins are commonly used in remelt syrup decolorization,but their slow release of monomers may endanger food safety.In this study,a green and environmentally friendly rosin-derived macroporous anion-adsorbing resin was synthesized and used to efficiently capture the caramels in remelt syrup.The results showed that the equilibrium adsorption capacity of the resin for caramels was 86 mg/g,and the corresponding decolorization efficiency was as high as 90%.Following five cycles of repeated use,the decolorization efficiency decreased by only 5%,indicating excellent reusability.The focus was on the multidimensional visualization of the micro-mechanism of the interaction in the adsorption of caramels by the rosin-based resin at the molecular,atomic,and electronic levels on the basis of quantum chemical theoretical calculations(including electrostatic potential,electrostatic potential interaction,average local ionization energy,frontier molecular orbitals,independent gradient model,and Hirshfeld surface analyses).The results indicated that the adsorption occurred with positive-negative potential neutralization and interpenetration.The interaction mechanism was primarily mediated by the electrophilic reaction between carboxylate and protonated tertiary amine groups,followed by weak hydrogen bonding,with the resin acting as a hydrogen bond donor.The combined use of multiple quantum chemical theory calculations to visualize the micro-mechanism of the adsorption interaction can provide novel insights into exploring the adsorption behavior andmechanism at a deeper level, which has a theoretical contribution and practical value.

关 键 词：食糖 色素 机制 回溶糖浆 量子化学理论计算 

分 类 号：TS244.2[轻工技术与工程—制糖工程]