Microwave-assisted synthesis, characterization and modeling of CPO-27-Mg metal-organic framework for drug delivery

Anton I.  Kudelin; Konstantinos Papathanasiou; Vera Isaeva; Juergen Caro; Tapio Salmi; Leonid M. Kustov

doi:10.3390/molecules26020426

Microwave-assisted synthesis, characterization and modeling of CPO-27-Mg metal-organic framework for drug delivery

Anton I. Kudelin
, Konstantinos Papathanasiou
, Vera Isaeva
, Juergen Caro
, Tapio Salmi
, Leonid M. Kustov

Teknillisen kemian ja reaktiotekniikan laboratorio

Tutkimustuotos: Lehtiartikkeli › Artikkeli › Tieteellinen › vertaisarvioitu

7 Sitaatiot (Scopus)

Abstrakti

The coordination polymer CPO-27-Mg was rapidly synthesized under microwave irradiation. 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.

Alkuperäiskieli	Englanti
Artikkeli	426
Sivumäärä	9
Julkaisu	Molecules
Vuosikerta	26
Numero	2
DOI - pysyväislinkit	https://doi.org/10.3390/molecules26020426
Tila	Julkaistu - 15 tammik. 2021
OKM-julkaisutyyppi	A1 Julkaistu artikkeli, soviteltu

Pääsy asiakirjaan

10.3390/molecules26020426Lisenssi: CC BY

https://www.mdpi.com/1420-3049/26/2/426Lisenssi: CC BY

Viittausmuodot

@article{7c972e976cb54cc3a6ccd2a4097b10c7,

title = "Microwave-assisted synthesis, characterization and modeling of CPO-27-Mg metal-organic framework for drug delivery",

abstract = "The coordination polymer CPO-27-Mg was rapidly synthesized under microwave irradiation. This material exhibits a sufficiently high drug loading towards aspirin (\textasciitilde{}8\% wt.) and paracetamol (\textasciitilde{}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.",

author = "Kudelin, \{Anton I.\} and Konstantinos Papathanasiou and Vera Isaeva and Juergen Caro and Tapio Salmi and Kustov, \{Leonid M.\}",

year = "2021",

month = jan,

day = "15",

doi = "10.3390/molecules26020426",

language = "English",

volume = "26",

journal = "Molecules",

issn = "1420-3049",

publisher = "MDPI",

number = "2",

}

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.

PY - 2021/1/15

Y1 - 2021/1/15

N2 - The coordination polymer CPO-27-Mg was rapidly synthesized under microwave irradiation. 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 irradiation. 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.

U2 - 10.3390/molecules26020426

DO - 10.3390/molecules26020426

M3 - Article

SN - 1420-3049

VL - 26

JO - Molecules

JF - Molecules

IS - 2

M1 - 426

ER -

Microwave-assisted synthesis, characterization and modeling of CPO-27-Mg metal-organic framework for drug delivery

Abstrakti

Pääsy asiakirjaan

Sormenjälki

Viittausmuodot