Detection of nitro-aromatics using C 5 N 2 as an electrochemical sensor: a DFT approach

MA Hashmi, ANS Saqib, A Kamran, A Lakhani - RSC advances, 2024 - pubs.rsc.org
Nitroaromatics impose severe health problems and threats to the environment. Therefore,
the detection of such hazardous substances is essential to save the whole ecosystem …

Exploring boron nitride nanotubes as potential drug delivery vehicles using density functional theory and molecular dynamics–An overview

AB Krishna, S Arjun, R Vamadevan, JS Babu - Journal of Molecular Liquids, 2024 - Elsevier
Exploring diverse nanocarriers in targeted drug delivery research is vital for optimizing
therapeutic efficacy and minimizing adverse effects, thus improving treatment outcomes …

Tailored Metal–Organic Frameworks for Water Purification: Perfluorinated Fe–MOFs for Enhanced Heterogeneous Catalytic Ozonation

X Kong, J Ma, S Garg, TD Waite - Environmental Science & …, 2024 - ACS Publications
An industrially viable catalyst for heterogeneous catalytic ozonation (HCO) in water
purification requires the characteristics of good dispersion of active species on its surface …

X-ray diffraction, structural analysis, quantum reactivity studies, molecular interactions, spectroscopic insights and antiepileptic activities of [Cu (C7N4H8O2) 2 (NO3) …

W Nbili, RA Timothy, GI Abubakar, H Louis… - Journal of Molecular …, 2024 - Elsevier
Epilepsy is a neurological disorder which is attributed to unprovoked recurrent seizures. It is
a dangerous disease that affects men, women and children of all ages. This present …

Theory guided engineering of zeolite adsorbents for acaricide residue adsorption from the environment

D Sifuna, S Omwoma, S Lagat, F Okello… - Journal of Molecular …, 2024 - Springer
Context Zeolites have attracted attention for their potential in adsorbing environmental
contaminants. However, contaminants, such as acaricides used extensively in livestock …

Chemically Modified Silicon Carbide Nanotubes by Indium Mono-Doping and Doping with Antimony, Tin, and Tellurium as Sensors for Polychlorinated Dibenzo …

MO Odey, DE Charlie, F Nelson, I Benjamin… - Tin, and Tellurium as … - papers.ssrn.com
The intractable nature of polychlorinated dibenzo dioxin (PCDD) cannot be overemphasized
because of its impact on food chains, aquatic environments, and air supplies, raising major …