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

• Published in: Scientific reports Vol. 11; no. 1; p. 1006
• Main Authors: Keyvanfard, Mohsen, Karimi-Maleh, Hassan, Karimi, Fatemeh, Opoku, Francis, Kiarii, Ephraim Muriithi, Govender, Poomani Penny, Taghavi, Mehdi, Fu, Li, Aygun, Aysenur, Sen, Fatih
• Format: Journal Article
• Language: English
• Published: London Nature Publishing Group UK 13-01-2021; Nature Publishing Group; Nature Portfolio
• Subjects: 631/1647; 631/45; 631/61; 639/166; 639/301; 639/638; 639/925; Acetylcysteine; Adsorption; Carbon; Chemistry; Conductance; Electrical conductivity; Electrodes; Homocysteine; Humanities and Social Sciences; Investigations; multidisciplinary; Nanomaterials; Oxidation; Pharmacy; Science; Science (multidisciplinary); Sensors; Software; Theophylline
• ISSN: 2045-2322; 2045-2322
• DOI: 10.1038/s41598-020-79872-0

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.