Metals (Ga, In) decorated fullerenes as nanosensors for the adsorption of 2, 2-dichlorovinyldimethylphosphate agrochemical based pollutant

MA Akpe, GA Okon, H Louis, I Benjamin, MU Akem… - Scientific Reports, 2023 - nature.com
Owing to the fact that the use of 2, 2-dichlorovinyldimethylphosphate (DDVP) as an
agrochemical has become a matter of concern due to its persistence and potential harm to …

Recent advances of carbon materials on pesticides removal and extraction based determination from polluted water

WK Li, YP Shi - TrAC Trends in Analytical Chemistry, 2024 - Elsevier
Removal and determination of pesticides from polluted water are both curial topics for water
safety control, and carbon materials have been widely explored for pesticides removal and …

Nanotechnology-enabled biosensors: a review of fundamentals, materials, applications, challenges, and future scope

R Abdel-Karim - Biomedical Materials & Devices, 2024 - Springer
When chemical, physical, or biological factors were being measured in the early years, large
sensing types of equipment were used. They were also inaccurate and the end user had to …

Molecular modeling of the structural, electronic, excited state dynamic, and the photovoltaic properties of the oligomers of n-corannulene (n= 1–4)

H Hadi, H Louis, TE Gber, FO Ogungbemiro - Heliyon, 2023 - cell.com
Despite the fact that n-corannulene oligomers (n= 1–4) have a variety of electronic and
optical properties, including the ability to be tuned and the potential to be used as light …

[HTML][HTML] A facile detection of ethanol by the Be/Mg/Ca-enhanced fullerenes: Insights from density functional theory

F Toiserkani, M Mirzaei, V Alcan, K Harismah… - Chemical Physics …, 2023 - Elsevier
This work was done due to a need of developing a facile detection platform of ethanol
(EtOH) type of alcohol for various reasons from the police uses up to the medical and …

Zinc oxide nanoclusters and their potential application as CH4 and CO2 gas sensors: Insight from DFT and TD‐DFT

I Muz, M Kurban - Journal of Computational Chemistry, 2022 - Wiley Online Library
We have investigated the adsorption of CH4 and CO2 gases on zinc oxide nanoclusters
(ZnO NCs) using density functional theory (DFT). It was found that the CH4 tends to be …

Magnesium oxide nanotube as novel strategies to enhance the anticancer activity of 5-Fluorouracil

K Chen, TH Abdtawfeeq, IK Kadhim, MA Jawad… - Journal of Molecular …, 2023 - Elsevier
We evaluated the adsorption process and anti-cancer activity of functionalized magnesium
oxide nanotube (MgONT) adsorbed with 5-Fluorouracil (5-FU) in vacuum and solution …

Metals (Ga, In) encapsulated aluminum nitride nanotubes (AlNNTs) as nonenzymatic sensors for biomarker volatiles of liver cirrhosis: A computational study

OC Godfrey, H Louis, AG Al-Sehemi, TE Gber… - Journal of Molecular …, 2023 - Elsevier
In the realm of scientific curiosity, the quest to develop groundbreaking biosensor
technology and materials that cater to the urgent societal demands in healthcare …

Surface adsorption of adenine on pristine and B/N/O/P-doped coronene as a biosensing substrate for DNA detection-DFT study

RA Kumar, SJ Al-Otaibi, YS Mary, YS Mary… - Journal of Molecular …, 2024 - Elsevier
Nucleobase detection is crucial for the exploration of specific nucleotide sequences.
Inspired by the recent realization of two dimensional nanomaterials as DNA detectors as …

Unveiling regularities of B12N12-X nanocages as a drug delivery vehicle for the nitrosourea: the influence of periods and groups

Y Zhang, Y Luo, L Tang, E Mingyan, J Hu - Journal of Molecular Liquids, 2024 - Elsevier
Cancer treatment has long been a topic of interest and the use of small molecule targeted
drugs has highlighted the potential of nanomaterials as carriers for reducing drug side …