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Process and Mechanism of Inclusion with Cinnamaldehyde and Its Inclusive Performance

Author: WuHaiBo
Tutor: FangYanXiong；JiHongBing
School: Guangdong University of Technology
Course: Chemical processes
Keywords: β-CD Cinnamaldehyde Inclusion complexes Cosolvent Molecular modeling
CLC: TQ655
Type: Master's thesis
Year: 2011
Downloads: 53
Quote: 0
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Abstract


With the more and more widespread use of fragrance microcapsule, the the nature superior wall material such as β-cyclodextrin (β-CD), chitosan, combined with an efficient preparation process for preparing a high retention rate of fragrance microcapsule is to further develop and improve the Fragrance Flavor and effective way to take advantage of the efficiency and value-added. Cinnamic aldehyde incense holders and antibacterial effects, and a wide range of applications in the field of spice flavor, daily chemicals and food additives. Microencapsulation technology, cinnamaldehyde wrapped wall material can improve its stability, and has played a good role in controlled release. β-CD is the cinnamaldehyde microencapsulated preferred wall material, may be due to its special molecular structure containing a benzene ring of the \Based on the preparation of high-yield, oil content and the inclusion rate of β-CD / cinnamaldehyde inclusion complex goals, preferred grinding method, saturated aqueous solution method and spray drying method, the optimal process conditions, mainly inspected ethanol on the effect of the inclusion. Experimental results show that ethanol as a co-solvent can accelerate the process of inclusion mass transfer, thereby improving the yield and rate of inclusion of the inclusion complexes, the control amount of the good ethanol added, can be obtained relatively high performance indicators β-CD / cinnamon aldehyde inclusion complexes. By high-temperature release experiments confirmed that β-CD has a very strong role in the control of the release of cinnamaldehyde. Β-CD / cinnamaldehyde inclusion complex structure and inclusion behavior, made a detailed analysis of the TG-DSC, XRD, FT-IR and 13C-CP/MAS NMR characterization and online infrared experiment. Use the PM3 and ONIOM2 calculation of β-CD the cinnamaldehyde inclusion behavior, to examine the effect of solvent binding energy of a process of inclusion and inclusion complexes. On the basis of the experimental results, using methods such as PM3 and ONIOM2 of β-CD and cinnamaldehyde inclusion process, calculate the change of inclusion in the process of inclusion, the most stable structure optimized inclusion complexes: guest molecules the cinnamaldehyde phenyl completely into the hydrophobic cavity of β-CD the the aldehyde portion in the large inlet end of the β-CD. Research the ethanol cosolvent exist under conditions of β-CD and cinnamaldehyde inclusion behavior to a combination of experimental and computational methods for the first time, continuous ethanol solvation model to calculate the inclusion smaller, more stable inclusion complex, this secondary evidence the addition of a cosolvent ethanol can greatly increase yield and inclusion rate of inclusion complexes. This study show that the inclusion of β-CD inclusion complex behavior is studied by quantum chemical calculations, and the law can provide guidance for the preparation and development of other types of inclusion complexes significance.

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