[HTML][HTML] Impact of inhibition mechanisms, automation, and computational models on the discovery of organic corrosion inhibitors

DA Winkler, AE Hughes, C Özkan, A Mol… - Progress in Materials …, 2024 - Elsevier
The targeted removal of efficient but toxic corrosion inhibitors based on hexavalent
chromium has provided an impetus for discovery of new, more benign organic compounds …

Nanozymes for environmental pollutant monitoring and remediation

ELS Wong, KQ Vuong, E Chow - Sensors, 2021 - mdpi.com
Nanozymes are advanced nanomaterials which mimic natural enzymes by exhibiting
enzyme-like properties. As nanozymes offer better structural stability over their respective …

High-throughput screening of green amino acid and surfactant mixtures with high corrosion inhibition efficiency: Experimental and modelling perspectives

X Guo, X Ding, Y Wang, J Wang, W Tan, Y Li, Z Chen… - Corrosion …, 2024 - Elsevier
A high-throughput screening method is developed for rapid evaluation of corrosion
inhibitors. By employing a fluorometric technique, this method quickly assesses the …

Predicting the inhibition efficiencies of magnesium dissolution modulators using sparse machine learning models

EJ Schiessler, T Würger, SV Lamaka… - npj computational …, 2021 - nature.com
The degradation behaviour of magnesium and its alloys can be tuned by small organic
molecules. However, an automatic identification of effective organic additives within the vast …

Corrosion inhibition, inhibitor environments, and the role of machine learning

AE Hughes, DA Winkler, J Carr, PD Lee… - Corrosion and …, 2022 - mdpi.com
Machine learning (ML) is providing a new design paradigm for many areas of technology,
including corrosion inhibition. However, ML models require relatively large and diverse …

DATACORTECH: artificial intelligence platform for the virtual screen of aluminum corrosion inhibitors

TLP Galvão, I Ferreira, F Maia, JRB Gomes… - npj Materials …, 2024 - nature.com
The machine learning framework reported herein can greatly accelerate the development of
more effective and sustainable corrosion inhibitors for aluminum alloys, which still rely …

Data-driven selection of electrolyte additives for aqueous magnesium batteries

T Würger, L Wang, D Snihirova, M Deng… - Journal of Materials …, 2022 - pubs.rsc.org
Aqueous primary Mg–air batteries have considerable potential as energy sources for sea
applications and portable devices. However, some challenges at the anode-electrolyte …

Chemoinformatics for corrosion science: Data‐driven modeling of corrosion inhibition by organic molecules

I Baskin, Y Ein‐Eli - Molecular Informatics, 2024 - Wiley Online Library
This paper reviews the application of machine learning to the inhibition of corrosion by
organic molecules. The methodologies considered include quantitative structure‐property …

CORDATA: An open data management web application to select corrosion inhibitors

TLP Galvão, I Ferreira, A Kuznetsova… - npj Materials …, 2022 - nature.com
The large amount of corrosion inhibition efficiencies in literature, calls for a more efficient
way to organize, access and compare this information. The CORDATA open data …

Metal organic framework based nanozymes explored with their environmental pollution control strategies

MK Sarangi, G Rath, DK Yi - Inorganic Chemistry Communications, 2024 - Elsevier
Nanozymes are the nanomaterials possessing unique catalytic responses resembling with
natural enzymes. They are highly emphasized because of their catalytic stability, activity …