Experimental and Theoretical Study of Doxorubicin Physicochemical Interaction with BN(O) Drug Delivery Nanocarriers

Experimental and Theoretical Study of Doxorubicin Physicochemical Interaction with BN(O) Drug Delivery Nanocarriers

Článek WoS

Drug-loaded nanocarriers have a great potential for tumor therapy. Such systems must have high drug-loading efficacy in an alkaline medium and effectively release therapeutic agent in an acidic medium of endosomal/lysosomal compartments of tumor cells. Herein, we experimentally and theoretically (using density functional theory) studied the chemical interaction of doxorubicin (DOX) with different boron nitride (BN) surfaces depending on the degree of their oxidation. Three groups of hexagonal BN nano particles (BNNPs) obtained by boron oxide chemical vapor deposition process, i.e., (i) as-synthesized and those after (ii) repeated washing in water and (iii) high-temperature annealing, and their corresponding DOX-BN conjugates were studied. Oxidation of BNNPs significantly improved their interaction with DOX. As a result, the amount of immobilized DOX on the B2O3 surface was higher in comparison with the BNNPs containing little oxygen. The formation of stable DOX-BN conjugates mainly depended on the attraction of electron density in the area of aromatic rings in the highest occupied molecular orbital of DOX. The presence of a protonated NH2 groups in DOX can facilitate electron density transfer from the DOXH+ to the boron oxide surface.

Drug-loaded nanocarriers have a great potential for tumor therapy. Such systems must have high drug-loading efficacy in an alkaline medium and effectively release therapeutic agent in an acidic medium of endosomal/lysosomal compartments of tumor cells. Herein, we experimentally and theoretically (using density functional theory) studied the chemical interaction of doxorubicin (DOX) with different boron nitride (BN) surfaces depending on the degree of their oxidation. Three groups of hexagonal BN nano particles (BNNPs) obtained by boron oxide chemical vapor deposition process, i.e., (i) as-synthesized and those after (ii) repeated washing in water and (iii) high-temperature annealing, and their corresponding DOX-BN conjugates were studied. Oxidation of BNNPs significantly improved their interaction with DOX. As a result, the amount of immobilized DOX on the B2O3 surface was higher in comparison with the BNNPs containing little oxygen. The formation of stable DOX-BN conjugates mainly depended on the attraction of electron density in the area of aromatic rings in the highest occupied molecular orbital of DOX. The presence of a protonated NH2 groups in DOX can facilitate electron density transfer from the DOXH+ to the boron oxide surface.

BORON-NITRIDE NANOTUBES; CARBON NANOTUBES; IN-VIVO; CHEMOTHERAPY; ACID; NANOPARTICLES; ENCAPSULATION

BORON-NITRIDE NANOTUBES; CARBON NANOTUBES; IN-VIVO; CHEMOTHERAPY; ACID; NANOPARTICLES; ENCAPSULATION

PERMYAKOVA, E.; ANTIPINA, L.; KOVALSKII, A.; ZHITNYAK, I.; GUDZ, K.; POLČÁK, J.; SOROKIN, P.; MANAKHOV, A.; SHTANSKY, D.

2019

22.11.2018

1932-7447

Journal of Physical Chemistry C

122

46

Spojené státy americké

26409

26418

10

https://pubs.acs.org/doi/10.1021/acs.jpcc.8b07531