Comparison of theoretical effects of encapsulation floxuridine anticancer drug with boron nitride nanotube and carbon nanotube with NBO and QTAIM studies

a comparison of teachers and supervisors, with respect to teacher efficacy and reflection

supervisors play an undeniable role in training teachers, before starting their professional experience by preparing them, at the initial years of their teaching by checking their work within the proper framework, and later on during their teaching by assessing their progress. but surprisingly, exploring their attributes, professional demands, and qualifications has remained a neglected theme i...

Carbon nanotube and boron nitride nanotube hostedC60â•fiV nanopeapods

THEORETICAL STUDIES OF CHANGES IN PROPERTIES OF 5-FLUORO-2-DEOXYURIDINE (FUDR) ANTICANCER DRUG BY ADSORPTION ON BORON NITRIDE NANOTUBE (5, 5-11)

Background & Aims: Drugs are highly active due to their many functional groups and can be easily destroyed by stomach acid and excreted before reaching target tissue. Thus, by encapsulating, a sheath is placed around drug to reduce reactivity of the drug due to stereo electronic resonance with nanotube and consequently drug stays longer in body. As a result, you can consume a smaller dose of dr...

Boron Nitride Nanotube Peapods

We demonstrate that boron nitride (BN) nanotubes can be filled "peapod" fashion with C60 molecules. Filling small-diameter BN nanotubes results in a linear chain of C60 molecules in the interior, while filling large diameter BN nanotubes leads to nanorods of crystalline C60 in the interior. Electron beam damage can be used to fuse the encapsulated C60 molecules into carbon nanotubes, leading to...

Theoretical study of functionalized single-walled carbon nanotube (5, 5) with Mitoxantrone drug

Objective(s): First principles calculations were performed to study four multiple sclerosis drugs namely, Ampyra, Fingolimod, Mitoxantrone and Eliprodil in gas and liquid phases using Density Functional Theory (DFT). Computational chemistry simulations were carried out to compare calculated quantum chemical parameters for Ampyra, Fingolimod, Mitoxantrone and Eliprodil. Materials and Methods: Al...

Theoretical study of 2,3,7,8-tetrachlorodibenzo-para-dioxine removal by boron nitride-nanotube (BNNT): QSAR, IR-DFT

The study examined corrosion inhibition of corrosion inhibition of 5-methyl-2H-imidazol-4-carboxaldehyde and 1H-Indole-3-carboxaldehyde on mild steel in acidic medium using weight loss and Density Functional Theory (DFT) methods. DFT calculations were carried out at B3LYP/6-31+G** level of theory in aqueous medium on the molecular structures to describe electronic parameters. The values of ther...