Contamination of water resources by heavy metal ions, is a drastic environmental concern.
In this study, the interaction of Cd 2+, Hg 2+, Pb 2+, Sn 2+, As 3+, Sb 3+, and Cr 3+ metal …

The adsorption of Cd 2+ and Co 2+ using alginic acid (AA) was performed by density
functional theory (DFT) calculations. To validate the theoretical findings, Cd 2+ and Co 2+ …

This paper reports a detailed review of the chemistry and associated mechanisms of
cellulose modification by chemical methods. Several chemical modification reactions are …

The mechanism of this study is utilized the pristine GNS and metal-doped GNS as a carrier
to the (5-FU, 6-MP, GB, and CP) anticancer drugs. We used the DFT method, which …

Electronic and optical properties of the graphene nanoflakes (GNFs) are investigated with
and without various concentrations of S impurities in different locations via a time-dependent …

Materials based on graphene have been increasingly exploited as drug delivery methods in
biomedicine. In this work, Circumcoronene (CC) and Boron Nitride Circumcoronene (BNCC) …

Among the low-dimensional carbon-based systems, bilayer graphene garners great interest.
In contrast to monolayer graphene, infinite bilayer graphene displays a gap in the electronic …

Zinc oxide nanosheet (ZnONS) is a favorable road to deliver numerous drug molecules in
the human body. The electronic properties of the 5-FU/pristine ZnONS and 5-FU/metal …

We theoretically investigated the electronic and optical properties of the various anticancer
drugs (5-FU, 6-MP, CP, and GB) by using density functional theory (DFT) and time …

The electronic properties of the T-Greaphene nanosheet (T-GNS) are developed by using
different concentrations of the Al and Si impurities. The results demonstrated the electronic …