Standard

Thermodynamic and thermal properties of the C60-L-Arg derivative. / Semenov, K.N.; Iurev, G.O.; Pochkaeva, E.I.; Lelet, M.I.; Petrov, A.V.; Charykov, N.A.; Podolsky, N.E.; Dulneva, L.L.; Sharoyko, V.V.; Murin, I.V.

In: Journal of Chemical Thermodynamics, Vol. 127, 12.2018, p. 39-44.

Research output: Contribution to journal › Article › peer-review

Harvard

Semenov, KN, Iurev, GO, Pochkaeva, EI, Lelet, MI, Petrov, AV, Charykov, NA, Podolsky, NE, Dulneva, LL, Sharoyko, VV & Murin, IV 2018, 'Thermodynamic and thermal properties of the C60-L-Arg derivative', Journal of Chemical Thermodynamics, vol. 127, pp. 39-44. https://doi.org/10.1016/j.jct.2018.07.007

APA

Semenov, K. N., Iurev, G. O., Pochkaeva, E. I., Lelet, M. I., Petrov, A. V., Charykov, N. A., Podolsky, N. E., Dulneva, L. L., Sharoyko, V. V., & Murin, I. V. (2018). Thermodynamic and thermal properties of the C60-L-Arg derivative. Journal of Chemical Thermodynamics, 127, 39-44. https://doi.org/10.1016/j.jct.2018.07.007

Vancouver

Semenov KN, Iurev GO, Pochkaeva EI, Lelet MI, Petrov AV, Charykov NA et al. Thermodynamic and thermal properties of the C60-L-Arg derivative. Journal of Chemical Thermodynamics. 2018 Dec;127:39-44. https://doi.org/10.1016/j.jct.2018.07.007

Author

Semenov, K.N. ; Iurev, G.O. ; Pochkaeva, E.I. ; Lelet, M.I. ; Petrov, A.V. ; Charykov, N.A. ; Podolsky, N.E. ; Dulneva, L.L. ; Sharoyko, V.V. ; Murin, I.V. / Thermodynamic and thermal properties of the C60-L-Arg derivative. In: Journal of Chemical Thermodynamics. 2018 ; Vol. 127. pp. 39-44.

BibTeX

@article{9508b1da5ebe41e1989d7eaf0a2ae55e,
title = "Thermodynamic and thermal properties of the C60-L-Arg derivative",
abstract = "The paper presents experimental and DFT simulated data on temperature dependence of heat capacity for C60-L-arginine derivative. Smoothed Cp,m ∘Tvalues in the temperature range from T → 0 K to 320 K are presented along with the values of standard thermodynamic functions: Sm °, [Hm ∘T-Hm ∘0] and [Φm ∘T-Φm ∘0]. In addition, the molar third law entropy and the molar formation entropy of the C60-L-arginine derivative in crystalline state at T = 298.15 K are calculated. The data on complex thermal analysis reveal that the C60-L-arginine derivative is stable up to 340 K. Further increasing of temperature leads to destruction of L-arginine groups and oxidation of fullerene core.",
keywords = "DFT, Enthalpy, Entropy, Fullerene, Gibbs function, Heat capacity, L-arginine",
author = "K.N. Semenov and G.O. Iurev and E.I. Pochkaeva and M.I. Lelet and A.V. Petrov and N.A. Charykov and N.E. Podolsky and L.L. Dulneva and V.V. Sharoyko and I.V. Murin",
note = "Funding Information: This work was supported by Russian Foundation for Basic Research (Projects № 17-33-50007) and Council on grants of the President of the Russian Federation (Projects № MD-2175.2018.3). MIL is grateful to the Ministry of Education and Science of the Russian Federation for financial support through grant 4.5510.2017/8.9. Research was carried out using computational resources provided by “Computer Center of SPbU”, “Magnetic Resonance Research Center of SPbU”, and the Collective Usage Center “New Materials and Energy Saving Technologies” of Lobachevsky State University of Nizhni Novgorod. Appendix A",
year = "2018",
month = dec,
doi = "10.1016/j.jct.2018.07.007",
language = "English",
volume = "127",
pages = "39--44",
journal = "Journal of Chemical Thermodynamics",
issn = "0021-9614",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Thermodynamic and thermal properties of the C60-L-Arg derivative

AU - Semenov, K.N.

AU - Iurev, G.O.

AU - Pochkaeva, E.I.

AU - Lelet, M.I.

AU - Petrov, A.V.

AU - Charykov, N.A.

AU - Podolsky, N.E.

AU - Dulneva, L.L.

AU - Sharoyko, V.V.

AU - Murin, I.V.

N1 - Funding Information: This work was supported by Russian Foundation for Basic Research (Projects № 17-33-50007) and Council on grants of the President of the Russian Federation (Projects № MD-2175.2018.3). MIL is grateful to the Ministry of Education and Science of the Russian Federation for financial support through grant 4.5510.2017/8.9. Research was carried out using computational resources provided by “Computer Center of SPbU”, “Magnetic Resonance Research Center of SPbU”, and the Collective Usage Center “New Materials and Energy Saving Technologies” of Lobachevsky State University of Nizhni Novgorod. Appendix A

PY - 2018/12

Y1 - 2018/12

N2 - The paper presents experimental and DFT simulated data on temperature dependence of heat capacity for C60-L-arginine derivative. Smoothed Cp,m ∘Tvalues in the temperature range from T → 0 K to 320 K are presented along with the values of standard thermodynamic functions: Sm °, [Hm ∘T-Hm ∘0] and [Φm ∘T-Φm ∘0]. In addition, the molar third law entropy and the molar formation entropy of the C60-L-arginine derivative in crystalline state at T = 298.15 K are calculated. The data on complex thermal analysis reveal that the C60-L-arginine derivative is stable up to 340 K. Further increasing of temperature leads to destruction of L-arginine groups and oxidation of fullerene core.

AB - The paper presents experimental and DFT simulated data on temperature dependence of heat capacity for C60-L-arginine derivative. Smoothed Cp,m ∘Tvalues in the temperature range from T → 0 K to 320 K are presented along with the values of standard thermodynamic functions: Sm °, [Hm ∘T-Hm ∘0] and [Φm ∘T-Φm ∘0]. In addition, the molar third law entropy and the molar formation entropy of the C60-L-arginine derivative in crystalline state at T = 298.15 K are calculated. The data on complex thermal analysis reveal that the C60-L-arginine derivative is stable up to 340 K. Further increasing of temperature leads to destruction of L-arginine groups and oxidation of fullerene core.

KW - DFT

KW - Enthalpy

KW - Entropy

KW - Fullerene

KW - Gibbs function

KW - Heat capacity

KW - L-arginine

UR - http://www.scopus.com/inward/record.url?scp=85050252023&partnerID=8YFLogxK

U2 - 10.1016/j.jct.2018.07.007

DO - 10.1016/j.jct.2018.07.007

M3 - Article

AN - SCOPUS:85050252023

VL - 127

SP - 39

EP - 44

JO - Journal of Chemical Thermodynamics

JF - Journal of Chemical Thermodynamics

SN - 0021-9614

ER -

ID: 35260838