Application of molecular dynamics simulation for exploring the roles of plant biomolecules in promoting environmental health
J Wu, T Gao, H Guo, L Zhao, S Lv, J Lv, R Yao… - Science of The Total …, 2023 - Elsevier
Understanding the dynamic changes of plant biomolecules is vital for exploring their
mechanisms in the environment. Molecular dynamics (MD) simulation has been widely used …
mechanisms in the environment. Molecular dynamics (MD) simulation has been widely used …
[HTML][HTML] Green synthesis, electrochemical, and DFT studies on the corrosion inhibition of steel by some novel triazole Schiff base derivatives in hydrochloric acid …
MM Abdelsalam, MA Bedair, AM Hassan… - Arabian Journal of …, 2022 - Elsevier
In this work, three triazole Schiff base derivatives 1-((1H-1, 2, 4-triazol-3-ylimino) methyl)
naphthalen-2-ol (TMN), N-(furan-2-ylmethylene)-1H-1, 2, 4-triazol-3-amine (FTA) and N …
naphthalen-2-ol (TMN), N-(furan-2-ylmethylene)-1H-1, 2, 4-triazol-3-amine (FTA) and N …
Combined electrochemical, DFT/MD-simulation and hybrid machine learning based on ANN-ANFIS models for prediction of doxorubicin drug as corrosion inhibitor for …
FE Abeng, VC Anadebe - Computational and Theoretical Chemistry, 2023 - Elsevier
In this work, Doxorubicin drug was used as mild steel corrosion inhibitor in 0.5 MH 2 SO 4
solution. Herein, standard techniques like gravimetric, electrochemical measurement …
solution. Herein, standard techniques like gravimetric, electrochemical measurement …
[HTML][HTML] Enhancing the corrosion inhibition performance of Tinospora cordifolia extract using different fractions of methanol solvent on carbon steel corrosion in a …
The present study investigates the inhibition potential of Tinospora cordifolia extract in
combination with different methanol solvents on the corrosion of carbon steel in artificial …
combination with different methanol solvents on the corrosion of carbon steel in artificial …
[HTML][HTML] Anticorrosive performance of newly synthesized dipyridine based ionic liquids by experimental and theoretical approaches
AHE Moustafa, HH Abdel-Rahman, M Hagar… - Scientific Reports, 2023 - nature.com
Two newly synthetic nontoxic dipyridine-based ionic liquids (PILs) with the same chain
lengths and different polar groups were investigated: bispyridine-1-ium tetrafluoroborate …
lengths and different polar groups were investigated: bispyridine-1-ium tetrafluoroborate …
A combined experimental and theoretical approach to the elucidation of the corrosion inhibition property of 5-((4, 5-dihydro-4-o-tolyltetrazol-1-yl) methyl) quinolin-8-ol …
H About, M El Faydy, F Benhiba, AS Al-Gorair… - Inorganic Chemistry …, 2023 - Elsevier
Abstract The quinolin-8-ol derivative, namely, 5-((4, 5-dihydro-4-o-tolyltetrazol-1-yl) methyl)
quinolin-8-ol (TTQ), was synthesized, identified, and applied as a potential corrosion …
quinolin-8-ol (TTQ), was synthesized, identified, and applied as a potential corrosion …
Eco-Friendly Methanolic Myrrh Extract Corrosion Inhibitor for Aluminum in 1 M HCl
SY Al-Nami, AM Alturki, AM Wahba - ACS omega, 2023 - ACS Publications
Aluminum corrosion was inhibited by myrrh extract when it was placed in a solution of 1 M
HCl. Several procedures were used for these tests, including weight loss WL, potential …
HCl. Several procedures were used for these tests, including weight loss WL, potential …
[HTML][HTML] Environmentally Benign Grape Seed Oil for Corrosion Inhibition: Cutting-Edge Computational Modeling Techniques Revealing the Intermolecular and …
A Batah, AH Al-Moubaraki, EA Noor, JM Al-Ahmari… - Coatings, 2024 - mdpi.com
The growing interest in eco-friendly alternatives has sparked research into essential oils as
corrosion inhibitors, offering an innovative approach. Investigating their unique properties …
corrosion inhibitors, offering an innovative approach. Investigating their unique properties …
[HTML][HTML] Ultrasound− assisted sealing with different sealants for enhanced corrosion protection of HVOF− sprayed WC− Cr3C2− Ni/CNTs coating in 3.5 wt% NaCl …
D Mei, Z Wei, K Wang, Z Wei, S Hong - Alexandria Engineering Journal, 2023 - Elsevier
High− velocity oxygen− fuel (HVOF) sprayed WC− Cr 3 C 2− Ni/CNTs coatings were
prepared on 430 stainless steel, and then were sealed with sol–gel aluminum phosphate …
prepared on 430 stainless steel, and then were sealed with sol–gel aluminum phosphate …
[PDF][PDF] GREEN INHIBITORS FOR CORROSION OF METALS IN ACIDIC MEDIA: A REVIEW.
AI NDUKWE - Academic journal of manufacturing engineering, 2022 - ajme.ro
Corrosion does occur to degenerate the material as it is exposed to the environment. Owing
to the reported toxicity concerns in chromate inhibitors, there has been increasing interest in …
to the reported toxicity concerns in chromate inhibitors, there has been increasing interest in …