Probing the Reactions of Thiourea (CH4N2S) with Metals (X = Au, Hf, Hg, Ir, Os, W, Pt, and Re) Anchored on Fullerene Surfaces (C59X)
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 …
sensing performance, the need to explore these materials cannot be overemphasized as …
Adsorption properties of metal functionalized fullerene (C59Au, C59Hf, C59Ag, and C59Ir) nanoclusters for application as a biosensor for hydroxyurea (HXU) …
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 …
functionalized nano clusters (C59Au, C59Hf, C59Ag and C59Ir) as a sensor for hydroxyurea …
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 …
CH 3 O 4 S) gas onto the surfaces of transition metal dopedfullerene: C23Cr, C23Fe, C23Ni …
An Ultimate Investigation on the Adsorption of Amantadine on Pristine and Decorated Fullerenes CX (XSi, Ge, B, Al, Ga, N, P, and As): A DFT, NBO, and QTAIM …
MD Mohammadi, IH Salih… - Journal of Computational …, 2021 - World Scientific
In this investigation, the feasibility of detecting the amantadine (AMD) molecule onto the
outer surface of pristine fullerene (C 6 0), as well as C 5 9 X (X= Si, Ge, B, Al, Ga, N, P, and …
outer surface of pristine fullerene (C 6 0), as well as C 5 9 X (X= Si, Ge, B, Al, Ga, N, P, and …
Study on the electronic structure of Cr-and Ni-doped fullerenes upon adsorption of adenine: a comprehensive DFT calculation
Density functional theory (DFT) method has been employed to study the adsorption behavior
of adenine as a purine nucleobase on the surface of Cr-doped C20 fullerene (C19Cr) and Ni …
of adenine as a purine nucleobase on the surface of Cr-doped C20 fullerene (C19Cr) and Ni …
Density functional theory (DFT) computation of pristine and metal-doped MC59 (M= Au, Hf, Hg, Ir) fullerenes as nitrosourea drug delivery systems
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 …
nanomedicine due to their bioavailability and low toxicity. Herein, we investigated the …
Modeling of pristine, Ir-and Au-decorated C60 fullerenes as sensors for detection of Hydroxyurea and Nitrosourea drugs
GJ Ogunwale, H Louis, TE Gber… - Journal of Environmental …, 2022 - Elsevier
Even though Hydroxyurea (HU) and Nitrosourea (NU) are well known drugs efficient for
chemotherapy, the drugs' misuse and/or release of trace levels of un-metabolized drugs into …
chemotherapy, the drugs' misuse and/or release of trace levels of un-metabolized drugs into …
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 …
The computational quantum mechanical study of sulfamide drug adsorption onto X12Y12 fullerene-like nanocages: detailed DFT and QTAIM investigations
R Padash, MR Esfahani, AS Rad - Journal of Biomolecular …, 2021 - Taylor & Francis
In the current work, the adsorption of sulfamide drug onto the exterior surface of four
fullerene-like nanocages, including Al12N12, Al12P12, B12N12, and B12P12, was studied …
fullerene-like nanocages, including Al12N12, Al12P12, B12N12, and B12P12, was studied …
Adsorption of nucleobases on 2D transition-metal dichalcogenides and graphene sheet: a first principles density functional theory study
Adsorption characteristics of DNA/RNA nucleobases on monolayers of transition-metal
dichalcogenide (TMD) such as molybdenum disulfide (MoS2) and tungsten disulfide (WS2) …
dichalcogenide (TMD) such as molybdenum disulfide (MoS2) and tungsten disulfide (WS2) …