Details
| Original language | English |
|---|---|
| Article number | 426 |
| Number of pages | 9 |
| Journal | MOLECULES |
| Volume | 26 |
| Issue number | 2 |
| Publication status | Published - 15 Jan 2021 |
Abstract
The coordination polymer CPO-27-Mg was rapidly synthesized under microwave irra-diation. This material exhibits a sufficiently high drug loading towards aspirin (~8% wt.) and paracetamol (~14% wt.). The binding of these two molecules with the inner surface of the metal-organic framework was studied employing the Gaussian and Plane Wave approach of the Density Functional Theory. The structure of CPO-27-Mg persists after the adsorption of aspirin or paracetamol and their desorption energies, being quite high, decrease under solvent conditions.
Keywords
- Aspirin, CPO-27, Drug delivery, Metal-organic frameworks, Microwave synthesis, Paracetamol
ASJC Scopus subject areas
- Chemistry(all)
- Analytical Chemistry
- Chemistry(all)
- Chemistry (miscellaneous)
- Biochemistry, Genetics and Molecular Biology(all)
- Molecular Medicine
- Pharmacology, Toxicology and Pharmaceutics(all)
- Pharmaceutical Science
- Pharmacology, Toxicology and Pharmaceutics(all)
- Drug Discovery
- Chemistry(all)
- Physical and Theoretical Chemistry
- Chemistry(all)
- Organic Chemistry
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In: MOLECULES, Vol. 26, No. 2, 426, 15.01.2021.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Microwave-Assisted Synthesis, Characterization and Modeling of CPO-27-Mg Metal-Organic Framework for Drug Delivery
AU - Kudelin, Anton I.
AU - Papathanasiou, Konstantinos
AU - Isaeva, Vera
AU - Caro, Juergen
AU - Salmi, Tapio
AU - Kustov, Leonid M.
N1 - Funding Information: Funding: This work was supported by the Ministry of Science and Higher Education of the Russian Federation in the framework of Increase Competitiveness Program of NUST «MISiS» (grant no. K2-2019-005 and K4-2019-017) in the part of characterization and by Russian Science Foundation in the part related to materials synthesis and theoretical studies (grant no. 20-63-46013).
PY - 2021/1/15
Y1 - 2021/1/15
N2 - The coordination polymer CPO-27-Mg was rapidly synthesized under microwave irra-diation. This material exhibits a sufficiently high drug loading towards aspirin (~8% wt.) and paracetamol (~14% wt.). The binding of these two molecules with the inner surface of the metal-organic framework was studied employing the Gaussian and Plane Wave approach of the Density Functional Theory. The structure of CPO-27-Mg persists after the adsorption of aspirin or paracetamol and their desorption energies, being quite high, decrease under solvent conditions.
AB - The coordination polymer CPO-27-Mg was rapidly synthesized under microwave irra-diation. This material exhibits a sufficiently high drug loading towards aspirin (~8% wt.) and paracetamol (~14% wt.). The binding of these two molecules with the inner surface of the metal-organic framework was studied employing the Gaussian and Plane Wave approach of the Density Functional Theory. The structure of CPO-27-Mg persists after the adsorption of aspirin or paracetamol and their desorption energies, being quite high, decrease under solvent conditions.
KW - Aspirin
KW - CPO-27
KW - Drug delivery
KW - Metal-organic frameworks
KW - Microwave synthesis
KW - Paracetamol
UR - http://www.scopus.com/inward/record.url?scp=85100326286&partnerID=8YFLogxK
U2 - 10.3390/molecules26020426
DO - 10.3390/molecules26020426
M3 - Article
C2 - 33467467
AN - SCOPUS:85100326286
VL - 26
JO - MOLECULES
JF - MOLECULES
SN - 1420-3049
IS - 2
M1 - 426
ER -