A theoretical perspective on the adsorption performance of pristine and Metal-encapsulated B36N36 fullerenes toward the hydroxyurea and nitrosourea anticancer …
A Gholami, E Shakerzadeh, EC Anota - Inorganic Chemistry …, 2023 - Elsevier
In this study, a systematic DFT study is performed to explore the potential application of B 36
N 36 fullerene as a delivery agent for the hydroxyurea (CH 4 N 2 O 2) and nitrosourea (CH 3 …
N 36 fullerene as a delivery agent for the hydroxyurea (CH 4 N 2 O 2) and nitrosourea (CH 3 …
In silico study of B3O3 nanosheet as a disposable platform for sensing and delivery of carmustine anticancer drug
R Rahimi, M Solimannejad - Journal of Drug Delivery Science and …, 2023 - Elsevier
In the present study, the targeted drug-carrying and detecting properties of the carmustine
anticancer drug by pure B 3 O 3 sheet have been explored with the help of periodic density …
anticancer drug by pure B 3 O 3 sheet have been explored with the help of periodic density …
Cefalexin adsorption on the surface of pristine and Al-doped boron nitride nanocages (B12N12 and AlB11N12): A theoretical study
MRJ Sarvestani, SA Vahed, R Ahmadi - South African Journal of …, 2024 - journals.co.za
In this study, the capability of pristine and Al-doped BN nanocages (B12N12 and AlB11N12)
as sensor and adsorbent for the detection and removal of cefalexin antibiotic as an …
as sensor and adsorbent for the detection and removal of cefalexin antibiotic as an …
Covalent triazine-based monolayer with dual application in sensing and delivery of mercaptopurine anticancer drug: a periodic DFT study
R Rahimi, M Solimannejad - Molecular Physics, 2023 - Taylor & Francis
The mercaptopurine (MP) molecule's interaction with the pristine covalent triazine-based
framework (CTF) was evaluated in the gas and the water medium. The S1 structure is the …
framework (CTF) was evaluated in the gas and the water medium. The S1 structure is the …
Therapeutic potential of X12Y12 (X= Al, B, and Y= N, P) nanocages as effective sensors for Ala, Val, Arg, and Asp amino acids
In view of the intensifying research to study the comparative proficiency of innocuous and
bioavailable nanomaterials concordance with human systems for drug conveyance, this …
bioavailable nanomaterials concordance with human systems for drug conveyance, this …
Predicting adsorption behavior of Triacanthine anticancer drug with pure B12N12 nano-cage: A theoretical study
H Yahyaei, M Sheikhi, F Azarakhshi… - Journal of the Indian …, 2023 - Elsevier
Predicting adsorption behavior of the Triacanthine (TRC) anticancer drug on the surface of B
12 N 12 nano-cage was investigated using DFT and TD-DFT methods by B3LYP/6-311+ G …
12 N 12 nano-cage was investigated using DFT and TD-DFT methods by B3LYP/6-311+ G …
[HTML][HTML] Boron clusters in biomedical applications: A theoretical viewpoint
E Shakerzadeh, E Tahmasebi… - … and Applications of …, 2022 - intechopen.com
In this chapter, we presented an analysis of the recent advances in the applications of boron
clusters in biomedical fields such as the development of biosensors and drug delivery …
clusters in biomedical fields such as the development of biosensors and drug delivery …
Adsorption behavior of VX nerve agent on X12Y12 nanocages: a density functional theory study
DP devi, G Praveena, A Abiram - Structural Chemistry, 2024 - Springer
Herein our study, analysis on the adsorption of VX nerve agent on to X12Y12 (Al12N12,
Al12P12, C12Si12 and Mg12O12) nanocages is done using density functional theory (DFT) …
Al12P12, C12Si12 and Mg12O12) nanocages is done using density functional theory (DFT) …
Assessing the metronidazole adsorption by an iron-enhanced nanocone along with DFT calculations regarding the conjugated system formations for developing the …
CY Hsu, MJ Saadh, AF Mutee, H Mumtaz… - Inorganic Chemistry …, 2024 - Elsevier
By the importance of developing novel drug delivery platforms, the current research work
was done to assess the metronidazole (MET) adsorption by an iron-enhanced nanocone …
was done to assess the metronidazole (MET) adsorption by an iron-enhanced nanocone …
[PDF][PDF] Investigating a Boron Nitride Plate for the Formaldehyde Adsorption: Density Functional Theory Calculations
K Harismah, MF Nassar, OT Hamid, MO AL-Khafaji… - 2022 - biointerfaceresearch.com
A boron nitride (BN) plate was investigated in this work for adsorbing the formaldehyde
(Frm) substance by performing the density functional theory (DFT) calculations. The singular …
(Frm) substance by performing the density functional theory (DFT) calculations. The singular …