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揭示杂质糖在 d-塔格糖晶体结晶中的作用:实验和分子动力学模拟。

Uncovering the role of impurity sugars on the crystallization of d-tagatose crystal: Experiments and molecular dynamics simulations.

机构信息

School of Chemical Engineering and Technology, State Key Laboratory of Chemical Engineering, Tianjin University, 300072 Tianjin, PR China; The Co-Innovation Center of Chemistry and Chemical Engineering of Tianjin, 300072 Tianjin, PR China.

School of Chemical Engineering and Technology, State Key Laboratory of Chemical Engineering, Tianjin University, 300072 Tianjin, PR China; The Co-Innovation Center of Chemistry and Chemical Engineering of Tianjin, 300072 Tianjin, PR China.

出版信息

Food Chem. 2022 Dec 15;397:133762. doi: 10.1016/j.foodchem.2022.133762. Epub 2022 Jul 22.

DOI:10.1016/j.foodchem.2022.133762
PMID:35905620
Abstract

Impurity sugars produced in upstream process of functional sugars are significantly impacting the product quality. In this work, the effect of congeners (d-maltose (d-MAL), d-fructose (d-FRU), d-glucose (d-GLU)) on primary and secondary nucleation of d-tagatose (d-TAG) crystals was investigated. The impurity sugars showed an inhibition on primary nucleation of d-TAG crystals, while a promotion on the secondary nucleation of d-TAG. Interestingly, the impact of impurity sugars on d-TAG crystal growth was similar to that on primary nucleation. The diffusion ability, hydrogen bonding forming ability, interaction energy of d-TAG crystal surfaces and impurity sugars were evaluated by molecular dynamics (MD) simulations to reveal the nucleation and growth behavior. Based on the above findings, we designed the d-TAG crystallization experiments, and obtained d-TAG crystals with uniform particle size distribution and regular morphology. This study helps to understand the influence of impurity sugars on crystallization, guiding the industrial manufacturing of functional sugars.

摘要

在功能性糖的上游工艺中产生的杂质糖会显著影响产品质量。在这项工作中,研究了同系物(d-麦芽糖(d-MAL)、d-果糖(d-FRU)、d-葡萄糖(d-GLU))对 d-塔格糖(d-TAG)晶体初级和次级成核的影响。杂质糖对 d-TAG 晶体的初级成核有抑制作用,而对 d-TAG 的次级成核有促进作用。有趣的是,杂质糖对 d-TAG 晶体生长的影响与初级成核相似。通过分子动力学(MD)模拟评估了 d-TAG 晶体表面和杂质糖的扩散能力、氢键形成能力和相互作用能,以揭示成核和生长行为。基于上述发现,我们设计了 d-TAG 结晶实验,得到了具有均匀粒径分布和规则形貌的 d-TAG 晶体。这项研究有助于了解杂质糖对结晶的影响,指导功能性糖的工业制造。

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