| Title: | Effects of Organic Acids on the Release of Fruity Esters in Water: An Insight at the Molecular Level |
| Author(s): | Liu Y; Xi H; Fu Y; Li P; Sun S; Zong Y; |
| Address: | "Key Laboratory in Flavor & Fragrance Basic Research, Zhengzhou Tobacco Research Institute, China National Tobacco Corporation, Zhengzhou 450001, China. Center of Advanced Analysis and Gene Sequencing, Zhengzhou University, Zhengzhou 450001, China" |
| DOI: | 10.3390/molecules27092942 |
| ISSN/ISBN: | 1420-3049 (Electronic) 1420-3049 (Linking) |
| Abstract: | "It is well known that organic acids (OAs) could affect the flavour of fruit juices and beverages. However, the molecular mechanism of aroma release is still unclear. In this study, the effects of citric acid (CA), L-(-)-malic acid (MA) and L-lactic acid (LA) on the release of six selected esters and their sensory perception were investigated by means of HS-GC-MS analyses and odour detection threshold determination, respectively. Meanwhile, the density functional theory (DFT) calculation was employed to explore the interaction modes between esters and OAs. HS-GC-MS analyses showed that the concentration and the type of OAs regulated the release of esters. The results were basically consistent with the detection threshold change of those esters. The DFT calculation suggested that the main intermolecular interaction was hydrogen bonds, and several esters could form a ternary ring structure with OAs through hydrogen bonds. The interactions can induce the different release behaviours of esters in OAs water solution. The number of carboxyl functional groups in OAs and the spatial conformation of esters appeared to influence the magnitude of the interaction. The above results demonstrated the mechanism of OAs affecting the release of esters and indicated a possible flavour control way by using different OAs and OA concentrations" |
| Keywords: | Acids/analysis *Esters/chemistry Fruit/chemistry Odorants/analysis *Volatile Organic Compounds/analysis Water/analysis aroma release density functional theory esters intermolecular interaction odour detection threshold organic acids; |
| Notes: | "MedlineLiu, Yu Xi, Hui Fu, Yingjie Li, Peng Sun, Shihao Zong, Yongli eng Switzerland 2022/05/15 Molecules. 2022 May 4; 27(9):2942. doi: 10.3390/molecules27092942" |
