Electro-catalytic amplified sensor for determination of N-acetylcysteine in the presence of theophylline confirmed by experimental coupled theoretical investigation

Mohsen Keyvanfard; Hassan Karimi-Maleh; Fatemeh Karimi; Francis Opoku; Ephraim Muriithi Kiarii; Poomani Penny Govender; Mehdi Taghavi; Li Fu; Aysenur Aygun; Fatih Sen

doi:10.1038/s41598-020-79872-0

Electro-catalytic amplified sensor for determination of N-acetylcysteine in the presence of theophylline confirmed by experimental coupled theoretical investigation

Sci Rep. 2021 Jan 13;11(1):1006. doi: 10.1038/s41598-020-79872-0.

Authors

Mohsen Keyvanfard¹, Hassan Karimi-Maleh^{2

3

4}, Fatemeh Karimi^{5

6}, Francis Opoku⁷, Ephraim Muriithi Kiarii⁷, Poomani Penny Govender⁷, Mehdi Taghavi⁸, Li Fu⁹, Aysenur Aygun¹⁰, Fatih Sen¹⁰

Affiliations

¹ Department of Chemistry, Majlesi Branch, Islamic Azad University, Majlesi, Iran. keyvan45638@yahoo.com.
² School of Resources and Environment, University of Electronic Science and Technology of China, Xiyuan Ave, Chengdu, 611731, People's Republic of China. hassan@uestc.edu.cn.
³ Department of Chemical Engineering, Quchan University of Technology, Quchan, Iran. hassan@uestc.edu.cn.
⁴ Department of Chemistry, University of Johannesburg, P.O. Box 17011, Doornfontein Campus, Johannesburg, 2028, South Africa. hassan@uestc.edu.cn.
⁵ School of Resources and Environment, University of Electronic Science and Technology of China, Xiyuan Ave, Chengdu, 611731, People's Republic of China. fkm024@gmail.com.
⁶ Department of Chemical Engineering, Quchan University of Technology, Quchan, Iran. fkm024@gmail.com.
⁷ Department of Chemistry, University of Johannesburg, P.O. Box 17011, Doornfontein Campus, Johannesburg, 2028, South Africa.
⁸ Polymer Chemistry Research Laboratory, Faculty of Science, Shahid Chamran University, 61357-43337, Ahvaz, Iran.
⁹ College of Materials and Environmental Engineering, Hangzhou Dianzi University, Hangzhou, 310018, China.
¹⁰ Sen Research Group, Biochemistry Department, Faculty of Arts and Science, Dumlupınar University, Evliya Çelebi Campus, 43100, Kütahya, Turkey.

Abstract

The 1,l/-bis(2-phenylethan-1-ol)ferrocene, 1-butyl-3-methylimidazolium hexafluoro phosphate (BMPF6) and NiO-SWCNTs were used to modify carbon paste electrode (BPOFc/BMPF6/NiO-SWCNTs/CPE), which could act as an electro-catalytic tool for the analysis of N-acetylcysteine in this work. The BPOFc/BMPF6/NiO-SWCNTs/CPE with high electrical conductivity showed two completely separate signals with oxidation potentials of 432 and 970 mV for the first time that is sufficient for the determination of N-acetylcysteine in the presence of theophylline. The BPOFc/BMPF6/NiO-SWCNTs/CPE showed linear dynamic ranges of 0.02-300.0 μM and 1.0-350.0 μM with the detection limit of ~ 8.0 nM and 0.6 μM for the measurement of N-acetylcysteine and theophylline, respectively. In the second part, understanding the nature of interaction, quantum conductance modulation, electronic properties, charge density, and adsorption behavior of N-acetylcysteine on NiO-SWCNTs surface from first-principle studies through the use of theoretical investigation is vital for designing high-performance sensor materials. The N-acetylcysteine molecule was chemisorbed on the NiO-SWCNTs surface by suitable adsorption energies (- 1.102 to - 5.042 eV) and reasonable charge transfer between N-acetylcysteine and NiO-SWCNTs.

Publication types

Research Support, Non-U.S. Gov't