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Research Article |

An Explanation of the Catalpic Acid Low Proportion Through a Theoretical Analysis Performed on the Ricinodendron Heudeulotii

This research focuses on the photochemical activities of Ricinodendron heudeulotii (AKPI) oil, a fatty acid. In general, the latter, a bioactive organic compound, is employed to fight the atherosclerosis, the hypertension, the obesity, or the cancer. Ricinodendron heudeulotii oil contains mainly α-eleostearic acid C18:3c,t,t. This is characterized by its absorbance in ultraviolet or fluorescent light. It can isomerize into β-eleostearic acid C18:3t,t,t and catalpic acid C18:3t,t,c upon exposure to sunlight. The second compound is non-existent in those of certain plants containing the other two. In AKPI oil, it is in the minority. This work aims to explain the basis of its low proportion. The resources of theoretical chemistry were employed. The HF and DFT computations were carried out with the Gaussian09 software. DFT was combined with the B3LYP functional and the 6-311G, 6-311G (d, p), 6-311++G (d, p) basis sets to generate the geometries and calculate the isomer energies. The transition states were determined at the DFT level linked to the same functional and 6–311++G(d, p) base sets. They were carried out according to QST2 protocols. In addition, the low proportion of catalpic acid C18:3t,t,c was explained. It was founded on the recurring instability of α-eleostearic acid C18:3c,t,t compared to β-eleostearic acid C18:3t,t,t. Furthermore, the kinetic process of the first compound’s conversion to the second was established.

Ricinodendron Heudeulotii Kernel (AKPI), Linoleic Fatty Acid, Photoisomerization, Quantum Calculations

APA Style

Boka Robert N’Guessan, Akpa Eugène Essoh, Diakaridja Nikiéma, Koua Oi Koua, Zéphirin Mouloungui, et al. (2023). An Explanation of the Catalpic Acid Low Proportion Through a Theoretical Analysis Performed on the Ricinodendron Heudeulotii. International Journal of Computational and Theoretical Chemistry, 11(1), 19-25. https://doi.org/10.11648/j.ijctc.20231101.12

ACS Style

Boka Robert N’Guessan; Akpa Eugène Essoh; Diakaridja Nikiéma; Koua Oi Koua; Zéphirin Mouloungui, et al. An Explanation of the Catalpic Acid Low Proportion Through a Theoretical Analysis Performed on the Ricinodendron Heudeulotii. Int. J. Comput. Theor. Chem. 2023, 11(1), 19-25. doi: 10.11648/j.ijctc.20231101.12

AMA Style

Boka Robert N’Guessan, Akpa Eugène Essoh, Diakaridja Nikiéma, Koua Oi Koua, Zéphirin Mouloungui, et al. An Explanation of the Catalpic Acid Low Proportion Through a Theoretical Analysis Performed on the Ricinodendron Heudeulotii. Int J Comput Theor Chem. 2023;11(1):19-25. doi: 10.11648/j.ijctc.20231101.12

Copyright © 2023 Authors retain the copyright of this article.
This article is an open access article distributed under the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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