Adsorption properties of metal functionalized fullerene (C59Au, C59Hf, C59Ag, and C59Ir) nanoclusters for application as a biosensor for hydroxyurea (HXU) …

CG Apebende, H Louis, AE Owen… - Zeitschrift für …, 2022 - degruyter.com
This theoretical study was conducted to evaluate the efficiency of fullerene C60 and its metal
functionalized nano clusters (C59Au, C59Hf, C59Ag and C59Ir) as a sensor for hydroxyurea …

Computational design and molecular modeling of the interaction of nicotinic acid hydrazide nickel-based complexes with H 2 S gas

H Louis, D Etiese, TO Unimuke, AE Owen, AO Rajee… - RSC …, 2022 - pubs.rsc.org
The application of nickel complexes of nicotinic acid hydrazide ligand as a potential gas-
sensor and adsorbent material for H2S gas was examined using appropriate density …

Density functional theory (DFT) computation of pristine and metal-doped MC59 (M= Au, Hf, Hg, Ir) fullerenes as nitrosourea drug delivery systems

CG Apebende, GJ Ogunwale, H Louis… - Materials Science in …, 2023 - Elsevier
In recent times, C 60 fullerene and its derivatives have drawn increasing attention in
nanomedicine due to their bioavailability and low toxicity. Herein, we investigated the …

Modeling of Al12N12, Mg12O12, Ca12O12, and C23N nanostructured as potential anode materials for sodium-ion battery

H Louis, BB Isang, TO Unimuke, TE Gber… - Journal of Solid State …, 2023 - Springer
The rising costs of lithium and other versatile metals which are of electrochemical
importance have sprouted concerns in the electrochemical world. Sodium and sodium-ion …

Detection of hydroxymethanesulfonate (HMS) by transition metal-anchored fullerene nanoclusters

H Louis, TE Gber, DE Charlie, TGC Egemonye… - Journal of the Iranian …, 2023 - Springer
Herein, theoretical study on the adsorption and detection of hydroxymethanesulfonate (HMS-
CH 3 O 4 S) gas onto the surfaces of transition metal dopedfullerene: C23Cr, C23Fe, C23Ni …

Heteroatoms (B, N, and P) doped on nickel-doped graphene for phosgene (COCl2) adsorption: insight from theoretical calculations

DO Odey, HO Edet, H Louis, TE Gber… - Materials Today …, 2023 - Elsevier
Nanomaterials have been used for different applications including sensing environmental
gases. Exposure to hazardous gas in the environment leads to major health issues such as …

Comparative study of the efficiency of silicon carbide, boron nitride and carbon nanotube to deliver cancerous drug, azacitidine: A DFT study

N Baildya, S Mazumdar, NK Mridha… - Computers in Biology …, 2023 - Elsevier
Herein we have made a comparative study of the efficiency of three different nanotubes viz.
Carbon nanotube (CNT), boron nitride nanotube (BNNT) and silicon carbide nanotube …

Investigation on the molecular, electronic, biological and spectroscopic properties of a novel cobalt complex: An intuition from an experimental and computational …

J Makhlouf, H Louis, I Benjamin, BB Isang, CF Fidelis… - Polyhedron, 2023 - Elsevier
The preparation, spectroscopic, biological and electrical characterization, in addition of the X-
ray crystal structure investigation of a novel tree-dimensional compound [C 6 H 16 N 2 Co …

Organochlorine detection on transition metals (X=Zn, Ti, Ni, Fe, and Cr) anchored fullerenes (C23X)

H Louis, CM Chima, IO Amodu, TE Gber… - …, 2023 - Wiley Online Library
Abstract Herein, the Kohn‐Sham K density functional theory (DFT) approach has been
employed to investigate the adsorption and sensing efficacy of C23X (X= Zn, Ti, Ni, Fe, and …

B-and Al-doped porous 2D covalent organic frameworks as nanocarriers for biguanides and metformin drugs

SA Adalikwu, H Louis, AC Iloanya… - ACS Applied Bio …, 2022 - ACS Publications
Nanostructures such as nanosheets, nanotubes, nanocages, and fullerenes have been
extensively studied as potential candidates in various fields since the advancement of …