Comparison of Delivery and Sensing Properties of Graphene and Graphene-Like Nanomaterials for Antiviral Drug Favipiravir DOI
Wentao Yang,

Jiawen Cui,

Xiliang Yan

et al.

Published: Jan. 1, 2024

Language: Английский

Graphene and its derivatives (GO, rGO and GQD): a comprehensive review of their role in combating COVID-19 DOI Creative Commons
Spandan Guha, Shanta Chakrabarty

Advances in Physics X, Journal Year: 2025, Volume and Issue: 10(1)

Published: Jan. 15, 2025

The COVID-19 pandemic has ignited a search for innovative solutions to tackle viral transmission and ensure early detection. Graphene its derivatives have emerged as promising materials in this fight, showcasing impressive potential across diverse range of applications. From frontline defenses like antiviral PPE with enhanced filtration breathability microscopic detective work via highly sensitive FET biosensors, graphene offers multifaceted attack on the SARS-CoV-2 virus. Its impact extends beyond diagnostics, empowering energy storage disinfection technologies while revolutionizing drug delivery air purification through virus-capturing filters. Antiviral coatings vigilant nano-sensors further bolster arsenal, offering comprehensive protection at surface levels. Moreover, graphene-based masks, their reduce pollution exposure, may even offer an additional layer against polluted areas. In summary, emerges versatile guardian COVID-19, poised revolutionize fight beyond. applications, coupled ongoing research, paint compelling picture future where one atom time, rewrites narrative defense.

Language: Английский

Citations

1

Investigating the possible NU1025 drug delivery with graphene and boron nitride nanosheets using DFT and molecular docking computations DOI

Fahime Alikhoshi,

Ali Arab, Mahdi Sadeghi

et al.

Chemical Physics, Journal Year: 2025, Volume and Issue: unknown, P. 112713 - 112713

Published: March 1, 2025

Language: Английский

Citations

0

Computational study of carboplatin interaction with PEG-functionalized C60 fullerene as a drug carrier using DFT and molecular dynamics simulations DOI Creative Commons
Wael A. Mahdi, Adel Alhowyan, Ahmad J. Obaidullah

et al.

Scientific Reports, Journal Year: 2025, Volume and Issue: 15(1)

Published: April 21, 2025

In this research, the interaction of carboplatin with polyethylene glycol (PEG) functionalized iron-encapsulated fullerene (Fe@C60) molecule was investigated using Density Functional Theory (DFT) and molecular dynamics simulations (MD). Our results indicate that inclusion PEG enhances stability Fe@C60 molecule, leading to a shift in formation energy structures from approximately - 3.4 4.77 eV/atom correlation quantity surface glycols. Additionally, electric dipole moment structure increases following modification molecules, fostering more efficient carboplatin. The optical absorption spectrum reveals several peaks within 200-600 nm range for Fe@C60:PEG. Particularly noteworthy is impact on properties structure, providing valuable insights into assessment drug adsorption behavior. Furthermore, computations demonstrate complexes formed between exhibit stability, physical energies falling conducive loading release Detailed analyses, including IR frequencies simulations, provide further structural dynamic complex system, shedding light its potential applications delivery related fields.

Language: Английский

Citations

0

Beryllium oxide (Be12O12) as a nanocarrier for cisplatin anticancer drug and some of its analogs: A DFT investigation DOI
Mahmoud A. A. Ibrahim,

Aya H.H. Mahmoud,

Al‐shimaa S. M. Rady

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1315, P. 138995 - 138995

Published: June 11, 2024

Language: Английский

Citations

3

A Novel Al8N8 and B8N8 Nanoring Monolayer for Sensing and Drug Delivery of Cisplatin and Nitrosourea Anticancer Drugs: A DFT Insight DOI

Alaa M. Khudhair,

Ines Dhouib,

Fouad N. Ajeel

et al.

Journal of Inorganic and Organometallic Polymers and Materials, Journal Year: 2025, Volume and Issue: unknown

Published: April 7, 2025

Language: Английский

Citations

0

Screening of low‐toxic zinc oxide nanomaterials and study the apoptosis mechanism of NSC‐34 cells DOI

Yuanyuan Li,

Yan Lü, Jingjing Li

et al.

Biotechnology Journal, Journal Year: 2024, Volume and Issue: 19(2)

Published: Feb. 1, 2024

With the increasing application of ZnO nanomaterials (ZnO-NMts) in biomedical field, it is crucial to assess their potential risks humans and environment. Therefore, this study aimed screen for ZnO-NMts with low toxicity establish safe exposure limits, investigate mechanisms action. The synthesized 0D nanoparticles (ZnO NPs) 3D nanoflowers Nfs) different morphologies using a hydrothermal approach comparative research. were characterized X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission (TEM). Mouse brain neuronal cells (NSC-34) incubated NMts 6, 12, 24 h, cell morphology was observed TEM. toxic effects Nfs on NSC-34 studied CCK-8 viability detection, reactive oxygen species (ROS) measurement, caspase-3 activity Annexin V-FITC/PI apoptosis assay, mitochondrial membrane (Δφm) measurement. results research showed that caused cytoplasmic vacuolization nuclear pyknosis. After incubating 12.5 µg mL

Language: Английский

Citations

2

Adsorption Features of Tetrahalomethanes (CX4; X = F, Cl, and Br) on β12 Borophene and Pristine Graphene Nanosheets: A Comparative DFT Study DOI Creative Commons
Mahmoud A. A. Ibrahim, Amna H. M. Mahmoud, Nayra A. M. Moussa

et al.

Molecules, Journal Year: 2023, Volume and Issue: 28(14), P. 5476 - 5476

Published: July 18, 2023

The potentiality of the β12 borophene (β12) and pristine graphene (GN) nanosheets to adsorb tetrahalomethanes (CX4; X = F, Cl, Br) were investigated using density functional theory (DFT) methods. To provide a thorough understanding adsorption process, tetrel (XC-X3∙∙∙β12/GN)- halogen (X3C-X∙∙∙β12/GN)-oriented configurations characterized at various sites. According energetic manifestations, process CX4∙∙∙β12/GN complexes within tetrel-oriented configuration led more desirable negative energy (Eads) values than that halogen-oriented analogs. Numerically, Eads CBr4∙∙∙Br1@β12 T@GN tetrel-/halogen-oriented -12.33/-8.91 -10.03/-6.00 kcal/mol, respectively. Frontier molecular orbital (FMO) results exhibited changes in EHOMO, ELUMO, Egap pure GN following CX4 molecules. Bader charge transfer findings outlined electron-donating property for molecules after adsorbing on two modeled configurations, except adsorbed CBr4 molecule sheet configuration. Following new bands peaks observed band structure state (DOS) plots, respectively, with larger number case one. solvent effect affirmations, energies increased presence water medium. this study will serve as focal point experimentalists better comprehend behavior toward small toxic

Language: Английский

Citations

5

Feasibility of nitride-based nanocages for the targeted delivery of ifosfamide: a DFT exploration DOI
Aoly Ur Rahman, D. M. Saaduzzaman, Syed Mahedi Hasan

et al.

New Journal of Chemistry, Journal Year: 2024, Volume and Issue: 48(35), P. 15599 - 15609

Published: Jan. 1, 2024

Schematic diagram of prospective targeted drug delivery approach for ifosfamide using nitride-based nanocage.

Language: Английский

Citations

1

Unlocking the chemistry of graphene: The impact of charge carrier concentration on molecular adsorption on graphene DOI Creative Commons
Maciej J. Szary

Applied Surface Science, Journal Year: 2024, Volume and Issue: 679, P. 161175 - 161175

Published: Sept. 6, 2024

Language: Английский

Citations

1

Comparison of delivery and sensing properties of graphene and graphene-like nanomaterials for favipiravir DOI
Wentao Yang, Xiliang Yan, Yuanchao Li

et al.

Materials Chemistry and Physics, Journal Year: 2024, Volume and Issue: unknown, P. 130168 - 130168

Published: Nov. 1, 2024

Language: Английский

Citations

1