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Interaction between carboplatin and cucurbit[7]uril studied by means of multinuclear NMR spectroscopy and DFT calculations. / Mirzaeva, I. V.; Moroz, N. K.; Andrienko, I. V. и др.

в: Journal of Molecular Structure, Том 1163, 05.07.2018, стр. 68-76.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Mirzaeva, IV, Moroz, NK, Andrienko, IV & Kovalenko, EA 2018, 'Interaction between carboplatin and cucurbit[7]uril studied by means of multinuclear NMR spectroscopy and DFT calculations', Journal of Molecular Structure, Том. 1163, стр. 68-76. https://doi.org/10.1016/j.molstruc.2018.02.108

APA

Mirzaeva, I. V., Moroz, N. K., Andrienko, I. V., & Kovalenko, E. A. (2018). Interaction between carboplatin and cucurbit[7]uril studied by means of multinuclear NMR spectroscopy and DFT calculations. Journal of Molecular Structure, 1163, 68-76. https://doi.org/10.1016/j.molstruc.2018.02.108

Vancouver

Mirzaeva IV, Moroz NK, Andrienko IV, Kovalenko EA. Interaction between carboplatin and cucurbit[7]uril studied by means of multinuclear NMR spectroscopy and DFT calculations. Journal of Molecular Structure. 2018 июль 5;1163:68-76. doi: 10.1016/j.molstruc.2018.02.108

Author

Mirzaeva, I. V. ; Moroz, N. K. ; Andrienko, I. V. и др. / Interaction between carboplatin and cucurbit[7]uril studied by means of multinuclear NMR spectroscopy and DFT calculations. в: Journal of Molecular Structure. 2018 ; Том 1163. стр. 68-76.

BibTeX

@article{d8484d1631ba4c4cb8f5e4b93e62c2bc,
title = "Interaction between carboplatin and cucurbit[7]uril studied by means of multinuclear NMR spectroscopy and DFT calculations",
abstract = "Encapsulation of platinum-based antitumor drugs into host molecules is a rapidly growing field, as it provides the potential to reduce the toxicity and overcome tumor resistance issues, with cucurbit[n]uril family being a very promising class of potential hosts. Although, previously it was reported that carboplatin, a second generation platinum-based antitumor drug, did not interact with cucurbit[7]uril, in this work, we have observed such an interaction by means of multinuclear NMR spectroscopy. Apparently, upon the interaction with cucurbit[7]uril in aqueous solution, carboplatin decomposes into 1,1-cyclobutane dicarboxylic acid and some cis-PtL2(NH3)2 (L = H2O or OH−) which forms a relatively stable inclusion complex with cucurbit[7]uril. DFT calculations of the geometry of hypothetical complexes and NMR shielding of 1H, 13C, and 195Pt nuclei help with interpretation of the experimental NMR results.",
keywords = "Pt NMR, DFT calculations, Drug encapsulation, Drug stability, Multinuclear NMR, MOLECULAR CALCULATIONS, EFFECTIVE CORE POTENTIALS, COMPLEXES, ENCAPSULATION, HOST, Pt-195 NMR, COUPLING-CONSTANTS, PLATINUM DRUGS, AMINO-ACIDS, CUCURBITURILS, BINDING",
author = "Mirzaeva, {I. V.} and Moroz, {N. K.} and Andrienko, {I. V.} and Kovalenko, {E. A.}",
note = "Publisher Copyright: {\textcopyright} 2018 Elsevier B.V.",
year = "2018",
month = jul,
day = "5",
doi = "10.1016/j.molstruc.2018.02.108",
language = "English",
volume = "1163",
pages = "68--76",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Interaction between carboplatin and cucurbit[7]uril studied by means of multinuclear NMR spectroscopy and DFT calculations

AU - Mirzaeva, I. V.

AU - Moroz, N. K.

AU - Andrienko, I. V.

AU - Kovalenko, E. A.

N1 - Publisher Copyright: © 2018 Elsevier B.V.

PY - 2018/7/5

Y1 - 2018/7/5

N2 - Encapsulation of platinum-based antitumor drugs into host molecules is a rapidly growing field, as it provides the potential to reduce the toxicity and overcome tumor resistance issues, with cucurbit[n]uril family being a very promising class of potential hosts. Although, previously it was reported that carboplatin, a second generation platinum-based antitumor drug, did not interact with cucurbit[7]uril, in this work, we have observed such an interaction by means of multinuclear NMR spectroscopy. Apparently, upon the interaction with cucurbit[7]uril in aqueous solution, carboplatin decomposes into 1,1-cyclobutane dicarboxylic acid and some cis-PtL2(NH3)2 (L = H2O or OH−) which forms a relatively stable inclusion complex with cucurbit[7]uril. DFT calculations of the geometry of hypothetical complexes and NMR shielding of 1H, 13C, and 195Pt nuclei help with interpretation of the experimental NMR results.

AB - Encapsulation of platinum-based antitumor drugs into host molecules is a rapidly growing field, as it provides the potential to reduce the toxicity and overcome tumor resistance issues, with cucurbit[n]uril family being a very promising class of potential hosts. Although, previously it was reported that carboplatin, a second generation platinum-based antitumor drug, did not interact with cucurbit[7]uril, in this work, we have observed such an interaction by means of multinuclear NMR spectroscopy. Apparently, upon the interaction with cucurbit[7]uril in aqueous solution, carboplatin decomposes into 1,1-cyclobutane dicarboxylic acid and some cis-PtL2(NH3)2 (L = H2O or OH−) which forms a relatively stable inclusion complex with cucurbit[7]uril. DFT calculations of the geometry of hypothetical complexes and NMR shielding of 1H, 13C, and 195Pt nuclei help with interpretation of the experimental NMR results.

KW - Pt NMR

KW - DFT calculations

KW - Drug encapsulation

KW - Drug stability

KW - Multinuclear NMR

KW - MOLECULAR CALCULATIONS

KW - EFFECTIVE CORE POTENTIALS

KW - COMPLEXES

KW - ENCAPSULATION

KW - HOST

KW - Pt-195 NMR

KW - COUPLING-CONSTANTS

KW - PLATINUM DRUGS

KW - AMINO-ACIDS

KW - CUCURBITURILS

KW - BINDING

UR - http://www.scopus.com/inward/record.url?scp=85042929284&partnerID=8YFLogxK

U2 - 10.1016/j.molstruc.2018.02.108

DO - 10.1016/j.molstruc.2018.02.108

M3 - Article

AN - SCOPUS:85042929284

VL - 1163

SP - 68

EP - 76

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

ER -

ID: 12232723