Density functional theory calculations are utilized for probing the effect of doping Al, Ga, and
Zn atoms on the sensing performance of a C60 fullerene in detecting the dichlorosilane (DS) …

Modern untargeted mass spectrometry (MS) analyses quickly detect and resolve thousands
of molecular compounds. Although features are readily annotated with a molecular formula …

Density functional theory was used for investigating the effect of decorating the transitions
metals Zn and Cd on the capability of an AlP nano-sheet (AlPNS) in detecting the gas COS …

B3LYP density functional is utilized for probing the effect of decorating Al, Ga, and In on the
sensing performance of a boron phosphide nanotube (BPNT) in detecting the 2 …

Platinum-based chemotherapeutics are a cornerstone in the treatment of many
malignancies. However, their dose-limiting side effects have rooted efforts to develop new …

Singly aquated and diaquated species are key intermediates in the mechanism responsible
for the antitumor activity of cisplatin. Aqua complexes [PtX (NH3) 2 (H2O)]+(X= Cl, OH) …

Phosgene oxime (PO) is one of the dangerous chemicals with an unknown action
mechanism, and high toxicity which has widespread applications in military operations and …

Density functional theory (DFT) calculations were undertaken to investigate the effect of Fe-
doping on the capability of a graphene-like BC 3 nano-sheet (Fe@ BC 3 NS) in detecting the …

The study of Pt (IV) antitumor prodrugs able to circumvent some drawbacks of the
conventional Pt (II) chemotherapeutics is the focus of a lot of attention. This paper reports a …

The inorganic antineoplastic drug cisplatin was made to react in solution with the dipeptide
cysteinylglycine (CysGly), chosen as a functional model of glutathione, and the reaction …