Hazard characterization of Alternaria toxins to identify data gaps and improve risk assessment for human health

H Louro, A Vettorazzi, A López de Cerain… - Archives of …, 2024 - Springer
Fungi of the genus Alternaria are ubiquitous plant pathogens and saprophytes which are
able to grow under varying temperature and moisture conditions as well as on a large range …

RETRACTED: Probing the Reactions of Thiourea (CH4N2S) with Metals (X = Au, Hf, Hg, Ir, Os, W, Pt, and Re) Anchored on Fullerene Surfaces (C59X)

H Louis, DE Charlie, IO Amodu, I Benjamin, TE Gber… - ACS …, 2022 - ACS Publications
Upon various investigations conducted in search for a nanosensor material with the best
sensing performance, the need to explore these materials cannot be overemphasized as …

Modeling of Ca12O12, Mg12O12, and Al12N12 nanostructured materials as sensors for phosgene (Cl2CO)

H Louis, IO Amodu, TO Unimuke, TE Gber… - Materials Today …, 2022 - Elsevier
The utilization of 3D nano-materials as sensors and detectors for several systems is
continuously being exploited, moreover, the detection limit by already existing devices is still …

[HTML][HTML] Reactive azo compounds as a potential chemotherapy drugs in the treatment of malignant glioblastoma (GBM): Experimental and theoretical studies

AD Udoikono, H Louis, EA Eno, EC Agwamba… - … of Photochemistry and …, 2022 - Elsevier
This research work focuses on the synthesis, spectroscopic characterization, DFT studies,
and in silico molecular docking of two azo compounds;(E)-6-((4, 6-dichloro-1, 3, 5-triazin-2 …

Antimicrobial activities of 1-phenyl-3-methyl-4-trichloroacetyl-pyrazolone: Experimental, DFT studies, and molecular docking investigation

EA Eno, JI Mbonu, H Louis, FS Patrick-Inezi… - Journal of the Indian …, 2022 - Elsevier
The rate of bacterial resistance to antibiotics is faster than the rate of discovery of new
antibiotic classes. However, development of novel compounds with similar behavior but with …

[HTML][HTML] Synthesis, characterization, DFT studies, and molecular modeling of azo dye derivatives as potential candidate for trypanosomiasis treatment

EC Agwamba, AD Udoikono, H Louis, EU Udoh… - Chemical Physics …, 2022 - Elsevier
This research aims to synthesize four compounds (CMP1, CMP2, CMP3 and CMP4) and
determine their suitability for the formulation of the drugs for the treatment of slee** …

[HTML][HTML] Structure, chemical reactivity, NBO, MEP analysis and thermodynamic parameters of pentamethyl benzene using DFT study

JK Ojha, G Ramesh, BV Reddy - Chemical Physics Impact, 2023 - Elsevier
This study explores the structural, molecular and electronic properties of the pentamethyl
benzene (PMB) using quantum chemical calculations employing DFT/B3LYP/6–311++ G (d …

Spectral analysis (FT-IR, FT-Raman, UV and NMR), molecular docking, ADMET properties and computational studies: 2-Hydroxy-5-nitrobenzaldehyde

K Nagarajan, N Surumbarkuzhali, K Parimala - Journal of the Indian …, 2023 - Elsevier
The hybrid correlation method was used to examine the spectra of 2-Hydroxy-5-
nitrobenzaldehyde (2H5NB) in the FT-IR, FT-Raman, UV–Vis and NMR ranges. For the best …

Hydrogen storage capacity of Al, Ca, Mg, Ni, and Zn decorated phosphorus-doped graphene: insight from theoretical calculations

IJ Ikot, PO Olagoke, H Louis, DE Charlie… - International Journal of …, 2023 - Elsevier
In this work, adsorption of molecular hydrogen on five different metals: Aluminum, Calcium,
Magnesium, Nickel and Zinc decorated phosphorus-doped graphene have been …

Antispasmodic activity of carnosic acid extracted from rosmarinus officinalis: Isolation, spectroscopic characterization, DFT studies, and in silico molecular docking …

K Wei, H Louis, W Emori, PS Idante… - Journal of Molecular …, 2022 - Elsevier
This research work focuses on the isolation, spectroscopic characterization (FT-IR, UV–vis,
and NMR), density functional theory (DFT) studies, and the potential application of carnosic …