Physicochemical Properties of a Water-Soluble Adduct of C60 with l-Cysteine for Biomedical Applications

Konstantin N. Semenov; Ali Mlhem; Alexander V. Akentiev; Dmitry A. Nerukh; Natalia V. Petukhova; Ilnaz T. Rakipov; Kirill V. Timoshchuk; Gleb O. Iurev; Andrey V. Petrov; Igor V. Murin; Nikolay A. Charykov; Dilafruz K. Kholmurodova; Lola B. Mahmudova; Gulafzal U. Amonova; Dilfuza T. Rabbimova; Vladimir V. Sharoyko

doi:10.1021/acs.jpclett.5c01859

Physicochemical Properties of a Water-Soluble Adduct of C60 with l-Cysteine for Biomedical Applications

Konstantin N. Semenov, Ali Mlhem, Alexander V. Akentiev, Dmitry A. Nerukh, Natalia V. Petukhova, Ilnaz T. Rakipov, Kirill V. Timoshchuk, Gleb O. Iurev, Andrey V. Petrov, Igor V. Murin, Nikolay A. Charykov, Dilafruz K. Kholmurodova, Lola B. Mahmudova, Gulafzal U. Amonova, Dilfuza T. Rabbimova, Vladimir V. Sharoyko

Applied Mathematics & Data Science

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

Abstract

As a result of a comprehensive study of the physicochemical properties of the C60-l-cysteine aqueous solutions, practically significant results were obtained, which underlie the understanding of the mechanisms of biological action and biocompatibility. It was shown that the adduct of fullerene C60 with l-cysteine is compatible with water and aqueous solutions and at the same time is amphiphilic. Aqueous solutions are strongly associated and, depending on the concentration, associates of various orders are formed up to the micron size; dilute solutions have high negative partial volumes, which indicate a strong structure. The adduct does not exhibit cytotoxicity, possesses antiradical activity, and reversibly binds to human serum albumin. The obtained data demonstrates the complexity of the systems under study and the prospects for their application in medicinal chemistry and biomedical materials science.

Original language	English
Pages (from-to)	9453-9462
Number of pages	10
Journal	Journal of Physical Chemistry Letters
Volume	16
Issue number	36
Early online date	2 Sept 2025
DOIs	https://doi.org/10.1021/acs.jpclett.5c01859
Publication status	Published - 11 Sept 2025

Bibliographical note

This document is the Accepted Manuscript version of a Published Work that appeared in final form in The Journal of Physical Chemistry Letters, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jpclett.5c01859

Funding

The following equipment of the Resource Centres of the Research Park of Saint Petersburg State University was used: Computing Centre, the Centre for Diagnostics of Functional Materials for Medicine, Pharmacology and Nanoelectronics, Magnetic Resonance Research Centre, and Centre for Chemical Analysis and Materials Research. D.A.N. acknowledges the use of the HPC Midlands supercomputer funded by EPSRC, grant number EP/P020232/1; the access to HPC Call Spring 2021, EPSRC Tier-2 Cirrus Service; the access to Sulis Tier 2 HPC platform hosted by the Scientific Computing Research Technology Platform at the University of Warwick. Sulis is funded by EPSRC Grant EP/T022108/1 and the HPC Midlands+ consortium. The collaboration was supported by the program H2020-MSCA-RISE-2018, project AMR-TB, Grant ID: 823922.

Keywords

Fullerene C60
L-cysteine
solubility
surface tension
Molecular Dynamic simulation

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10.1021/acs.jpclett.5c01859

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Semenov, K. N., Mlhem, A., Akentiev, A. V., Nerukh, D. A., Petukhova, N. V., Rakipov, I. T., Timoshchuk, K. V., Iurev, G. O., Petrov, A. V., Murin, I. V., Charykov, N. A., Kholmurodova, D. K., Mahmudova, L. B., Amonova, G. U., Rabbimova, D. T., & Sharoyko, V. V. (2025). Physicochemical Properties of a Water-Soluble Adduct of C60 with l-Cysteine for Biomedical Applications. Journal of Physical Chemistry Letters, 16(36), 9453-9462. https://doi.org/10.1021/acs.jpclett.5c01859

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title = "Physicochemical Properties of a Water-Soluble Adduct of C60 with l-Cysteine for Biomedical Applications",

abstract = "As a result of a comprehensive study of the physicochemical properties of the C60-l-cysteine aqueous solutions, practically significant results were obtained, which underlie the understanding of the mechanisms of biological action and biocompatibility. It was shown that the adduct of fullerene C60 with l-cysteine is compatible with water and aqueous solutions and at the same time is amphiphilic. Aqueous solutions are strongly associated and, depending on the concentration, associates of various orders are formed up to the micron size; dilute solutions have high negative partial volumes, which indicate a strong structure. The adduct does not exhibit cytotoxicity, possesses antiradical activity, and reversibly binds to human serum albumin. The obtained data demonstrates the complexity of the systems under study and the prospects for their application in medicinal chemistry and biomedical materials science.",

keywords = "Fullerene C60, L-cysteine, solubility, surface tension, Molecular Dynamic simulation",

author = "Semenov, {Konstantin N.} and Ali Mlhem and Akentiev, {Alexander V.} and Nerukh, {Dmitry A.} and Petukhova, {Natalia V.} and Rakipov, {Ilnaz T.} and Timoshchuk, {Kirill V.} and Iurev, {Gleb O.} and Petrov, {Andrey V.} and Murin, {Igor V.} and Charykov, {Nikolay A.} and Kholmurodova, {Dilafruz K.} and Mahmudova, {Lola B.} and Amonova, {Gulafzal U.} and Rabbimova, {Dilfuza T.} and Sharoyko, {Vladimir V.}",

note = "This document is the Accepted Manuscript version of a Published Work that appeared in final form in The Journal of Physical Chemistry Letters, copyright {\textcopyright} American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jpclett.5c01859 ",

year = "2025",

month = sep,

day = "11",

doi = "10.1021/acs.jpclett.5c01859",

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Semenov, KN, Mlhem, A, Akentiev, AV, Nerukh, DA, Petukhova, NV, Rakipov, IT, Timoshchuk, KV, Iurev, GO, Petrov, AV, Murin, IV, Charykov, NA, Kholmurodova, DK, Mahmudova, LB, Amonova, GU, Rabbimova, DT & Sharoyko, VV 2025, 'Physicochemical Properties of a Water-Soluble Adduct of C60 with l-Cysteine for Biomedical Applications', Journal of Physical Chemistry Letters, vol. 16, no. 36, pp. 9453-9462. https://doi.org/10.1021/acs.jpclett.5c01859

TY - JOUR

T1 - Physicochemical Properties of a Water-Soluble Adduct of C60 with l-Cysteine for Biomedical Applications

AU - Semenov, Konstantin N.

AU - Mlhem, Ali

AU - Akentiev, Alexander V.

AU - Nerukh, Dmitry A.

AU - Petukhova, Natalia V.

AU - Rakipov, Ilnaz T.

AU - Timoshchuk, Kirill V.

AU - Iurev, Gleb O.

AU - Petrov, Andrey V.

AU - Murin, Igor V.

AU - Charykov, Nikolay A.

AU - Kholmurodova, Dilafruz K.

AU - Mahmudova, Lola B.

AU - Amonova, Gulafzal U.

AU - Rabbimova, Dilfuza T.

AU - Sharoyko, Vladimir V.

N1 - This document is the Accepted Manuscript version of a Published Work that appeared in final form in The Journal of Physical Chemistry Letters, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jpclett.5c01859

PY - 2025/9/11

Y1 - 2025/9/11

N2 - As a result of a comprehensive study of the physicochemical properties of the C60-l-cysteine aqueous solutions, practically significant results were obtained, which underlie the understanding of the mechanisms of biological action and biocompatibility. It was shown that the adduct of fullerene C60 with l-cysteine is compatible with water and aqueous solutions and at the same time is amphiphilic. Aqueous solutions are strongly associated and, depending on the concentration, associates of various orders are formed up to the micron size; dilute solutions have high negative partial volumes, which indicate a strong structure. The adduct does not exhibit cytotoxicity, possesses antiradical activity, and reversibly binds to human serum albumin. The obtained data demonstrates the complexity of the systems under study and the prospects for their application in medicinal chemistry and biomedical materials science.

AB - As a result of a comprehensive study of the physicochemical properties of the C60-l-cysteine aqueous solutions, practically significant results were obtained, which underlie the understanding of the mechanisms of biological action and biocompatibility. It was shown that the adduct of fullerene C60 with l-cysteine is compatible with water and aqueous solutions and at the same time is amphiphilic. Aqueous solutions are strongly associated and, depending on the concentration, associates of various orders are formed up to the micron size; dilute solutions have high negative partial volumes, which indicate a strong structure. The adduct does not exhibit cytotoxicity, possesses antiradical activity, and reversibly binds to human serum albumin. The obtained data demonstrates the complexity of the systems under study and the prospects for their application in medicinal chemistry and biomedical materials science.

KW - Fullerene C60

KW - L-cysteine

KW - solubility

KW - surface tension

KW - Molecular Dynamic simulation

UR - https://pubs.acs.org/doi/10.1021/acs.jpclett.5c01859

UR - http://www.scopus.com/inward/record.url?scp=105015743002&partnerID=8YFLogxK

U2 - 10.1021/acs.jpclett.5c01859

DO - 10.1021/acs.jpclett.5c01859

M3 - Article

SN - 1948-7185

VL - 16

SP - 9453

EP - 9462

JO - Journal of Physical Chemistry Letters

JF - Journal of Physical Chemistry Letters

IS - 36

ER -

Physicochemical Properties of a Water-Soluble Adduct of C60 with l-Cysteine for Biomedical Applications

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