Recent advances in engineered graphene and composites for detection of volatile organic compounds (VOCs) and non-invasive diseases diagnosis

KM Tripathi, TY Kim, D Losic, TT Tung - Carbon, 2016 - Elsevier
Abstract Point-of-care (POC) diagnostic technologies for early stage diagnosis and real-time
monitoring of medical conditions are important element of healthcare strategy to improve …

Cadmium and copper heavy metal treatment from water resources by high-performance folic acid-graphene oxide nanocomposite adsorbent and evaluation of …

M Eftekhari, M Akrami, M Gheibi… - … Science and Pollution …, 2020 - Springer
In this paper, folic acid–coated graphene oxide nanocomposite (FA-GO) is used as an
adsorbent for the treatment of heavy metals including cadmium (Cd 2+) and copper (Cu 2+) …

Solvent/co-solvent effects on the electronic properties and adsorption mechanism of anticancer drug Thioguanine on Graphene oxide surface as a nanocarrier …

Z Hasanzade, H Raissi - Applied Surface Science, 2017 - Elsevier
In this work, the adsorption of Thioguanine (TG) anticancer drug on the surface of Graphene
oxide (GO) nanosheet has investigated using density functional theory (DFT) and molecular …

Probing the adsorption and release mechanisms of cytarabine anticancer drug on/from dopamine functionalized graphene oxide as a highly efficient drug delivery …

M Zaboli, H Raissi, NR Moghaddam… - Journal of Molecular …, 2020 - Elsevier
In this work, the chemical modification of the graphene oxide surface was done via covalent
functionalization with dopamine (fGO). The density functional theory (DFT) and molecular …

DFT study on the structural, optical and electronic properties of platinum group doped graphene

S Kumar, S Sharma, R Karmaker, D Sinha - Materials Today …, 2021 - Elsevier
The present study attempts to explore the effects of doping graphene with platinum group
elements (PGE), ie, ruthenium, rhodium, palladium, osmium, iridium, and platinum. The …

Comparative prediction of binding affinity of Hydroxyurea anti-cancer to boron nitride and carbon nanotubes as smart targeted drug delivery vehicles

A Mortazavifar, H Raissi, M Shahabi - Journal of Biomolecular …, 2019 - Taylor & Francis
In this study, the adsorption of Hydroxyurea (HU) onto the inner and outer surfaces of boron
nitride and carbon nanotubes (CNTs) was investigated using the density functional theory …

Theoretical study of CO adsorption interactions with Cr-doped tungsten oxide/graphene composites for gas sensor application

MA Syaahiran, AH Mahadi, CM Lim, MRR Kooh… - ACS …, 2021 - ACS Publications
The present study explores the CO adsorption properties with graphene, tungsten
oxide/graphene composite, and Cr-doped tungsten oxide/graphene composite using density …

Adsorption of diatomic molecules on graphene, h-BN and their BNC heterostructures: DFT study

IK Petrushenko, KB Petrushenko - Diamond and Related Materials, 2019 - Elsevier
Physical adsorption of three diatomic molecules (H 2, CO, and HCl) on graphene,
hexagonal boron nitride (h-BN), and two heterostructures, mBNC (h-BN ring is surrounded …

DFT study of CO adsorption on nitrogen/boron doped-graphene for sensor applications

LF Velázquez-López, SM Pacheco-Ortin… - Journal of molecular …, 2019 - Springer
We have performed a Density Functional study of the CO adsorption in B-doped, N-doped
and BN-co-doped graphene considering a coronene based model in order to estimate the …

Non-enzymatic electrochemical cholesterol sensor based on strong host-guest interactions with a polymer of intrinsic microporosity (PIM) with DFT study

N Jahani, M Amiri, M Ghiasi, H Imanzadeh… - Analytical and …, 2021 - Springer
Advances in materials science have accelerated the development of diagnostic tools with
the last decade witnessing the development of enzyme-free sensors, owing to the improved …