[HTML][HTML] Computational insights into quinoxaline-based corrosion inhibitors of steel in HCl: Quantum chemical analysis and QSPR-ANN studies

TW Quadri, LO Olasunkanmi, OE Fayemi… - Arabian Journal of …, 2022 - Elsevier
The inhibition of mild steel deterioration via organic substances has become popular
nowadays. Among the myriads of organic substances applied as potential inhibitors …

Multilayer perceptron neural network-based QSAR models for the assessment and prediction of corrosion inhibition performances of ionic liquids

TW Quadri, LO Olasunkanmi, OE Fayemi… - Computational Materials …, 2022 - Elsevier
The present study reports the quantum chemical studies and quantitative structure activity
relationship (QSAR) modeling of thirty ionic liquids utilized as chemical additives to repress …

Effective corrosion inhibition of mild steel in hydrochloric acid by newly synthesized Schiff base nano Co (II) and Cr (III) complexes: spectral, thermal, electrochemical …

S Melhi, MA Bedair, EH Alosaimi, AAO Younes… - RSC …, 2022 - pubs.rsc.org
Two new cobalt (II) and chromium (III) complexes were synthesized and characterized by FT-
IR, 1HNMR, UV, elemental analysis, TGA, conductivity, XRD, SEM, and magnetic …

Data-driven investigation to model the corrosion inhibition efficiency of Pyrimidine-Pyrazole hybrid corrosion inhibitors

M Akrom, S Rustad, AG Saputro… - … and Theoretical Chemistry, 2023 - Elsevier
This paper proposes a quantitative structure–property relationship model (QSPR) based on
machine learning (ML) for a pyrimidine-pyrazole hybrid as a corrosion inhibitor. Based on …

Coordination chemistry of chalcones and derivatives and their use as corrosion inhibitors: A comprehensive review

AK Singh, VC Anadebe, M Singh, N Arshad… - Coordination Chemistry …, 2024 - Elsevier
Chalcones, α, β-unsaturated ketones, being the by-products of the condensation reactions
between acetophenones and aromatic aldehydes widely found their applications in …

Experimental and Computational Studies of a Novel Metal Oxide Nanoparticle/Conducting Polymer Nanocomposite (TiO2/PVP) as a Corrosion Inhibitor on Low …

H Bairagi, P Vashishth, R Narang… - Industrial & …, 2023 - ACS Publications
The titanium dioxide/poly (vinylpyrrolidone)(TiO2/PVP) nanocomposite was prepared by in
situ polymerization using different concentrations of poly (vinylpyrrolidone). The titanium …

[HTML][HTML] Evaluating the in vitro antidiabetic, antibacterial and antioxidant properties of copper (II) Schiff base complexes: An experimental and computational studies

TL Yusuf, I Waziri, KA Olofinsan, EO Akintemi… - Journal of Molecular …, 2023 - Elsevier
In recent years, metal-based compounds have been explored as potential remedies for
major health issues such as diabetes, bacterial infections, and oxidative stress, which impact …

The effect of structural configuration on the DNA binding and in vitro antioxidant properties of new copper (ii) N 2 O 2 Schiff base complexes

TL Yusuf, DC Akintayo, SD Oladipo… - New Journal of …, 2022 - pubs.rsc.org
The interaction of transition metal complexes with DNA and plasma protein gives insight into
the development of new materials for medical and biotechnology applications. Thus, we …

Functionalized carbon allotropes as corrosion inhibitors

TW Quadri, LO Olasunkanmi, OE Fayemi… - Functionalized …, 2022 - ACS Publications
The control of metallic degradation using corrosion inhibitor formulations and anticorrosive
coatings has drawn increasing attention in the academia and industries. The inhibition of …

Synthesis and characterization of Ni (II), Cu (II), Zn (II) and Azo dye based on 1, 10-o-phenanthroline binary complexes: Corrosion inhibition properties and …

HM Al-Saidi, GA Gouda, M Abdel-Hakim… - International Journal of …, 2022 - Elsevier
Azo dye ligand of p [(p\-aminosulphonylbenzene)]-azo-5-(1, 10)-o-phenanthroline L, based
on 1, 10-o-phenanthroline and p-aminosulphonylbenzene with Ni (II), Cu (II) and Zn (II) ion …