The system KSCN-H2O2-CuSO4-NaOH, also known as the OrbA n-Epstein oscillatory reaction, is exposed to external perturbations by several phenolic compounds: catechol, resorcinol, hydroquinone, 2,5-dihydroxybenzoic acid, 2,6-dihydroxybenzoic acid, 2,3-dihydroxybenzoic acid, 2,4-dihydroxybenzoic acid, 3,4-dihydroxybenzoic acid, 3,5-dihydroxybenzoic acid, caffeic acid, and ferulic acid. As a result of the performed perturbation in most examined cases, oscillations have been inhibited for some characteristic time, and resumed afterwards. The evaluated inhibition time is typical for each substance and strongly dependent on its concentration. The chemical mechanism of the interaction between the OrbA n-Epstein system and phenolic compounds is briefly discussed. Numerical simulations are performed using the original OrbA n-Epstein model with 30 reactions, extended by three reactions describing the interaction with inhibitory substances. The rate constants of three added reactions are adjusted ...to fit experimental inhibition times, and compared among used compounds. The observed effects are discussed further in relation with the bond dissociation enthalpy theory. Unlike other tested compounds, 2,5-dihydroxybenzoic acid remains off from predicted order of activity.
TY - JOUR
AU - Cervellati, Rinaldo
AU - Greco, Emanuela
AU - Blagojević, Slavica
AU - Blagojević, Stevan
AU - Anić, Slobodan
AU - Čupić, Željko
PY - 2018
UR - https://cer.ihtm.bg.ac.rs/handle/123456789/2462
AB - The system KSCN-H2O2-CuSO4-NaOH, also known as the OrbA n-Epstein oscillatory reaction, is exposed to external perturbations by several phenolic compounds: catechol, resorcinol, hydroquinone, 2,5-dihydroxybenzoic acid, 2,6-dihydroxybenzoic acid, 2,3-dihydroxybenzoic acid, 2,4-dihydroxybenzoic acid, 3,4-dihydroxybenzoic acid, 3,5-dihydroxybenzoic acid, caffeic acid, and ferulic acid. As a result of the performed perturbation in most examined cases, oscillations have been inhibited for some characteristic time, and resumed afterwards. The evaluated inhibition time is typical for each substance and strongly dependent on its concentration. The chemical mechanism of the interaction between the OrbA n-Epstein system and phenolic compounds is briefly discussed. Numerical simulations are performed using the original OrbA n-Epstein model with 30 reactions, extended by three reactions describing the interaction with inhibitory substances. The rate constants of three added reactions are adjusted to fit experimental inhibition times, and compared among used compounds. The observed effects are discussed further in relation with the bond dissociation enthalpy theory. Unlike other tested compounds, 2,5-dihydroxybenzoic acid remains off from predicted order of activity.
PB - Springer Netherlands
T2 - Reaction Kinetics, Mechanisms and Catalysis
T1 - Experimental and mechanistic study of the inhibitory effects by phenolics on the oscillations of the OrbA n-Epstein Reaction
VL - 123
IS - 1
SP - 125
EP - 139
DO - 10.1007/s11144-017-1306-8
ER -
@article{
author = "Cervellati, Rinaldo and Greco, Emanuela and Blagojević, Slavica and Blagojević, Stevan and Anić, Slobodan and Čupić, Željko",
year = "2018",
abstract = "The system KSCN-H2O2-CuSO4-NaOH, also known as the OrbA n-Epstein oscillatory reaction, is exposed to external perturbations by several phenolic compounds: catechol, resorcinol, hydroquinone, 2,5-dihydroxybenzoic acid, 2,6-dihydroxybenzoic acid, 2,3-dihydroxybenzoic acid, 2,4-dihydroxybenzoic acid, 3,4-dihydroxybenzoic acid, 3,5-dihydroxybenzoic acid, caffeic acid, and ferulic acid. As a result of the performed perturbation in most examined cases, oscillations have been inhibited for some characteristic time, and resumed afterwards. The evaluated inhibition time is typical for each substance and strongly dependent on its concentration. The chemical mechanism of the interaction between the OrbA n-Epstein system and phenolic compounds is briefly discussed. Numerical simulations are performed using the original OrbA n-Epstein model with 30 reactions, extended by three reactions describing the interaction with inhibitory substances. The rate constants of three added reactions are adjusted to fit experimental inhibition times, and compared among used compounds. The observed effects are discussed further in relation with the bond dissociation enthalpy theory. Unlike other tested compounds, 2,5-dihydroxybenzoic acid remains off from predicted order of activity.",
publisher = "Springer Netherlands",
journal = "Reaction Kinetics, Mechanisms and Catalysis",
title = "Experimental and mechanistic study of the inhibitory effects by phenolics on the oscillations of the OrbA n-Epstein Reaction",
volume = "123",
number = "1",
pages = "125-139",
doi = "10.1007/s11144-017-1306-8"
}
Cervellati, R., Greco, E., Blagojević, S., Blagojević, S., Anić, S.,& Čupić, Ž.. (2018). Experimental and mechanistic study of the inhibitory effects by phenolics on the oscillations of the OrbA n-Epstein Reaction. in Reaction Kinetics, Mechanisms and Catalysis
Springer Netherlands., 123(1), 125-139.
https://doi.org/10.1007/s11144-017-1306-8
Cervellati R, Greco E, Blagojević S, Blagojević S, Anić S, Čupić Ž. Experimental and mechanistic study of the inhibitory effects by phenolics on the oscillations of the OrbA n-Epstein Reaction. in Reaction Kinetics, Mechanisms and Catalysis. 2018;123(1):125-139.
doi:10.1007/s11144-017-1306-8 .
Cervellati, Rinaldo, Greco, Emanuela, Blagojević, Slavica, Blagojević, Stevan, Anić, Slobodan, Čupić, Željko, "Experimental and mechanistic study of the inhibitory effects by phenolics on the oscillations of the OrbA n-Epstein Reaction" in Reaction Kinetics, Mechanisms and Catalysis, 123, no. 1 (2018):125-139,
https://doi.org/10.1007/s11144-017-1306-8 . .
