Metals (Ga, In) decorated fullerenes as nanosensors for the adsorption of 2, 2-dichlorovinyldimethylphosphate agrochemical based pollutant
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 …
agrochemical has become a matter of concern due to its persistence and potential harm to …
[PDF][PDF] Single-atoms (N, P, S) encapsulation of Ni-doped graphene/PEDOT hybrid materials as sensors for H2S gas applications: intuition from computational study.
I Benjamin, H Louis, FO Ogungbemiro… - Scientific …, 2023 - academia.edu
This comprehensive study was dedicated to augmenting the sensing capabilities of Ni@
GP_PEDOT@ H2S through the strategic functionalization with nitrogen, phosphorus, and …
GP_PEDOT@ H2S through the strategic functionalization with nitrogen, phosphorus, and …
[HTML][HTML] Impact of polar (DMSO, ethanol, water) solvation on geometry, spectroscopy (FT-IR, UV, NMR), quantum chemical parameters, and the antifungal activities of …
Due to their ubiquity and the rise of drug-resistant forms, Candida albicans infections pose a
serious threat to world health. Exploring new molecular possibilities is essential in order to …
serious threat to world health. Exploring new molecular possibilities is essential in order to …
Single crystal X-ray diffraction analysis, spectroscopic measurement, quantum chemical studies, antimicrobial potency and molecular docking of a new [Co (NCS) 4] 2 …
A new cobalt (II) complex was synthesized and characterized by physicochemical
evidences. According to crystallography study, the molecular structure consisting of anionic …
evidences. According to crystallography study, the molecular structure consisting of anionic …
Molecular simulation of Cu, Ag, and Au-decorated Molybdenum doped graphene nanoflakes as biosensor for carmustine, an anticancer drug
This study delves into the fascinating realm of molybdenum-doped graphene (Mo@ GP)
complexes, featuring captivating adsorption sites for oxygen (O) and chlorine (Cl), adorned …
complexes, featuring captivating adsorption sites for oxygen (O) and chlorine (Cl), adorned …
Theoretical Investigation of Single‐Atoms Encapsulated by Fullerenes (C59X: X= As, Ga, Ge) as Biosensors For Uric Acid (UA)
RA Timothy, EED Okon, TE Gber… - …, 2023 - Wiley Online Library
This work focuses on comparative investigation of three different doped surfaces on a nano‐
cage C59As, C59Ga and C59Ge to understand their sensitivity and ability to adsorbed uric …
cage C59As, C59Ga and C59Ge to understand their sensitivity and ability to adsorbed uric …
Mn-doped covalent organic framework (COF), graphene, and their nanocomposite (Mn@ GP/COF) as sensors for oil-dissolved gases in transformer: A computational …
IO Amodu, M Raimi, MN Ogbogu, I Benjamin… - Materials Today …, 2024 - Elsevier
All things being equal! As gas pollutants continue to pose threat to life so is the emergence
of sensor devices that detect and capture these gases. Herein, two of the oil-decomposed …
of sensor devices that detect and capture these gases. Herein, two of the oil-decomposed …
Investigating interactions between derivatives of graphene nanosheets and articaine for prolonged dental anesthetic effects: A multiscale modeling study
The controlled release of anesthetic molecules for extended local anesthesia has emerged
as a promising strategy in pain management. In this context, we focus on the interactions …
as a promising strategy in pain management. In this context, we focus on the interactions …
Computational insights into the tailoring of photoelectric properties in graphene quantum dot-Ru (II) polypyridyl nanocomposites
P Cui, Q Wu, X Hou, Z Li - Computational Materials Science, 2025 - Elsevier
Graphene quantum dot-Ru (II) polypyridyl nanocomposites have emerged as promising
materials for photoelectric applications due to their unique optoelectronic properties. This …
materials for photoelectric applications due to their unique optoelectronic properties. This …
Elucidating the structural basis for the enhanced antifungal activity of amide derivative against Candida albicans: a comprehensive computational investigation
The continuous search for more effective options against well-known pathogens such as
Candida albicans remains the rationale for the search for novel lead compounds from …
Candida albicans remains the rationale for the search for novel lead compounds from …