Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2, 6 …

A Ramalingam, M Kuppusamy, S Sambandam… - Heliyon, 2022 - cell.com
Abstract Isopropyl 1-benzoyl-4-(benzoyloxy)-2, 6-diphenyl-1, 2, 5, 6-tetrahydropyridine-3-
carboxylate (IDPC) was synthesized and characterized via spectroscopic (FT-IR and NMR) …

Machine learning approach to predict AXL kinase inhibitor activity for cancer drug discovery using XGBoost and Bayesian optimization

TR Noviandy, GM Idroes, I Hardi - Journal of Soft Computing …, 2024 - publisher.uthm.edu.my
Cancer persists as a significant global health challenge, marked by uncontrolled cell growth
and the potential for metastasis, posing a substantial threat to human well-being. Recent …

Synthesis, molecular docking of 3-(2-chloroethyl)-2, 6-diphenylpiperidin-4-one: Hirshfeld surface, spectroscopic and DFT based analyses

A Kumar, S Sambandam, A Ramalingam… - Journal of Molecular …, 2022 - Elsevier
Abstract In this work, 3-(2-chloroethyl)-2, 6-diphenylpiperidin-4-one (CEDP) was
synthesized, characterized via spectroscopic techniques (FT-IR, FT-Raman, UV–Vis, 1 H …

Modeling the magnetic cooling efficiency of spinel ferrite magnetocaloric compounds for magnetic refrigeration application using hybrid intelligent computational …

A Alqahtani, S Saliu, TO Owolabi, N Aldhafferi… - Materials Today …, 2022 - Elsevier
Spinel ferrite exhibits large magnetocaloric effect that promotes its candidature for solid state
magnetic refrigeration technology. This method of cooling is promising and can conveniently …

Green synthesis, Single‐Crystal X‐RD, Hirshfeld Analysis and Anti‐Covid‐19 Molecular Docking Investigation of Symmetrical Azines

S Ramkumar, R Ramarajan - ChemistrySelect, 2023 - Wiley Online Library
Abstract The 1, 2‐bis (3, 4‐dimethoxybenzylidene) hydrazine (VAHD) and 1, 2‐bis (3‐
methoxy‐4‐hydroxybenzylidene) hydrazine (VNHD) are synthesised in a solvent free and …

Discovery of Potential Phytochemicals from Carica papaya Targeting BRCA-1 in Breast Cancer Treatment

A Ibrahim, N Ipinloju, AO Aiyelabegan… - Applied biochemistry …, 2023 - Springer
The BRCA1 and BRCA2 are genes that encode a protein that ensures the integrity of DNA
and prevents the unregulated cells from proliferating. Mutations in the sequence of these …

Modeling the magnetocaloric effect of spinel ferrites for magnetic refrigeration technology using extreme learning machine and genetically hybridized support vector …

WA Oke, N Aldhafferi, S Saliu, TO Owolabi… - Cogent …, 2023 - Taylor & Francis
Spinel ferrites are magnetic oxide materials with potentials to promote green technology in
magnetic refrigeration which is known to be economically clean, energy saving and efficient …

Specific surface area characterization of spinel ferrite nanostructure based compounds for photocatalysis and other applications using extreme learning machine …

M Souiyah, TO Owolabi, S Saliu… - Mathematical …, 2022 - Wiley Online Library
Nanocrystalline spinel ferrite based compounds are technological driven materials with
interesting potentials in photocatalysis for renewable energy generation, gas sensing for …

Relative cooling power modeling of RE2TM2Y ternary intermetallic rare-earth-based magnetocaloric compounds for magnetic refrigeration application using extreme …

SMI Shamsah - International Journal of Refrigeration, 2024 - Elsevier
Ternary intermetallic rare-earth-based magnetocaloric compounds (RE 2 TM 2 Y, where
RE= Gd, Tb, Dy, Ho, Er, Tm, TM= Ni, Cu, Co and Y= Sn, In, Cd, Ga, Al) have attracted …

Elemental compositional modeling of magnetic ordering temperature for spinel ferrite magnetocaloric compounds using intelligent algorithms

M Souiyah - Cogent Engineering, 2023 - Taylor & Francis
Spinel ferrite recently attracted attention for possible application in magnetic refrigeration
due to its noticeable high magnetocaloric effect and tunable magnetic ordering temperature …