Reaction Pathways Design Based on the Associative Property of Addition

Fitri N. Febriana, Siti N. Nafisah, Lusia S.P. Boli, Rizka N. Fadilla, Wun F. Mark-Lee, Ira Puspitasari, Febdian Rusydi

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

The associative property of addition facilitates the change of the group member. If the group members are molecules, can we apply this property to study a chemical reaction? The aim of this paper is to use the associative property of addition to design reaction pathways of methyl acetate hydrolysis in the acid environment. The reaction is found in Alzheimer’s Disease. We evaluate the designed pathways using activation energy obtained from density functional theory calculation. The results show the associative property of addition can be used to design four reaction pathways of the hydrolysis. The calculations show the acidity significantly affected the activation energy. This result agrees with the common knowledge. Hence, we have demonstrated the usefulness of the associative property of addition in designing chemical reaction pathways.

Original languageEnglish
Title of host publicationAIP Conference Proceedings
EditorsElly Pusporani, Nashrul Millah, Eva Hariyanti
PublisherAmerican Institute of Physics Inc.
Edition1
ISBN (Electronic)9780735447738
DOIs
Publication statusPublished - 22 Dec 2023
EventInternational Conference on Mathematics, Computational Sciences, and Statistics 2022, ICoMCoS 2022 - Hybrid, Surabaya, Indonesia
Duration: 2 Oct 20223 Oct 2022

Publication series

NameAIP Conference Proceedings
Number1
Volume2975
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

ConferenceInternational Conference on Mathematics, Computational Sciences, and Statistics 2022, ICoMCoS 2022
Country/TerritoryIndonesia
CityHybrid, Surabaya
Period2/10/223/10/22

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