Formation and stabilization mechanism of β-cyclodextrin inclusion complex with C10 aroma molecules was written by Deng, Changyue;Cao, Chuan;Zhang, Yingying;Hu, Jingwei;Gong, Yongqiang;Zheng, Mingming;Zhou, Yibin. And the article was included in Food Hydrocolloids in 2022.Application In Synthesis of 5-Hexyldihydrofuran-2(3H)-one This article mentions the following:
The formation and stabilization mechanisms of inclusion complexes (ICs) between β-cyclodextrin (β-CD) and five C10 aroma mols. were simultaneously investigated using exptl. methods and mol. dynamics (MD) simulation. XRD, thermodn., FTIR and NMR analyses confirmed the formation of inclusion complexes, which had a new crystal structure and better thermal stability. MD simulation based on the mol. level including mol. structure (RMSD and Rg), solubility (RDF and SASA), interaction energy (Coul, vdW and H-bonds), and solvation and binding free energy, further clarified the properties of the inclusion complexes. The aroma mols. cause conformational changes in the inclusion complexes. The solubility of the inclusion complexes was lower than that of β-CD. The main driving force for the spontaneous entrance of aroma mols. into the cavity is van der Waals interactions. H-bonds are closely related to conformational changes, interactions and solubility In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Application In Synthesis of 5-Hexyldihydrofuran-2(3H)-one).
5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) belongs to esters. Carboxylic acid esters of low molecular weight are colourless, volatile liquids with pleasant odours, slightly soluble in water. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Application In Synthesis of 5-Hexyldihydrofuran-2(3H)-one
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics