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Heterocyclic biomolecules as green corrosion inhibitors
Bioinspired heterocyclic organic molecules have high significance as potential substitutes to
the existing inhibitor chemistries, which are considered toxic and costly. Here, we provided a …
the existing inhibitor chemistries, which are considered toxic and costly. Here, we provided a …
Advancement of corrosion inhibitor system through N-heterocyclic compounds: a review
Organic compounds containing heteroatoms have been comprehended to exhibit a
remarkable tendency towards corrosion mitigation. This corrosion mitigating tendency is …
remarkable tendency towards corrosion mitigation. This corrosion mitigating tendency is …
A machine learning approach to predict the efficiency of corrosion inhibition by natural product-based organic inhibitors
This paper presents a quantitative structure–property relationship (QSPR)-based machine
learning (ML) framework designed for predicting corrosion inhibition efficiency (CIE) values …
learning (ML) framework designed for predicting corrosion inhibition efficiency (CIE) values …
Prediction of Anti-Corrosion performance of new triazole derivatives via Machine learning
This paper endeavors to present an in-depth investigation into the corrosion inhibition
efficiency (CIE) of novel triazole derivatives serving as corrosion inhibitors. Among the array …
efficiency (CIE) of novel triazole derivatives serving as corrosion inhibitors. Among the array …
A combined molecular dynamics simulation, DFT calculations, and experimental study of the adsorption of Rhodamine B dye on kaolinite and hydroxyapatite in …
The adsorption efficiency of Rhodamine B (RhB) onto the natural kaolinite and
hydroxyapatite (HAP) was investigated. Both adsorbents were characterized using XRD …
hydroxyapatite (HAP) was investigated. Both adsorbents were characterized using XRD …
Crystal structure, Hirshfeld surface and DFT computations, along with molecular docking investigations of a new pyrazole as a tyrosine kinase inhibitor
In the present work we report the experimental and computational investigations of (2-
aminophenyl)[4-(4-chlorophenyl)-1, 3-diphenyl-1H-pyrazol-5-yl] methanone (C 28 H 20 ClN …
aminophenyl)[4-(4-chlorophenyl)-1, 3-diphenyl-1H-pyrazol-5-yl] methanone (C 28 H 20 ClN …
Effect of adsorption and interactions of new triazole-thione-Schiff bases on the corrosion rate of carbon steel in 1 M HCl solution: theoretical and experimental …
Due to the unique properties of steel, including its hardness, durability, and
superconductivity, which make it an essential material in many industries, it lacks corrosion …
superconductivity, which make it an essential material in many industries, it lacks corrosion …
Understanding of anti-corrosive behavior of some tetrazole derivatives in acidic medium: Adsorption on Cu (111) surface using quantum chemical calculations and …
Herein, four tetrazole derivatives namely 1, 2, 3, 4-tetrazole (TZ), 5-amino-1, 2, 3, 4-tetrazole
(ATZ), 1-phenyl-1, 2, 3, 4-tetrazole (PTZ) and 1-phenyl-5-mercapto-1, 2, 3, 4-tetrazole …
(ATZ), 1-phenyl-1, 2, 3, 4-tetrazole (PTZ) and 1-phenyl-5-mercapto-1, 2, 3, 4-tetrazole …
[HTML][HTML] A feature restoration for machine learning on anti-corrosion materials
Materials informatics often struggles with small datasets. Our study introduces the Gaussian
Mixture Model Virtual Sample Generation (GMM-VSG) approach to enhance feature …
Mixture Model Virtual Sample Generation (GMM-VSG) approach to enhance feature …
[PDF][PDF] Optimization of polynomial functions on the NuSVR algorithm based on machine learning: case studies on regression datasets
Purpose: Experimental studies are usually costly, time-consuming, and resource-intensive
when it comes to investigating prospective corrosion inhibitor compounds. Machine learning …
when it comes to investigating prospective corrosion inhibitor compounds. Machine learning …