Colloids and Surfaces B: Biointerfaces, volume 224, pages 113183
Assessment of core-shell nanoparticles surface structure heterogeneity by SAXS contrast variation and ab initio modeling
Vaskan Ivan
1
,
Prikhodko A.T.
1, 2
,
Petoukhov M. V.
3, 4
,
Shtykova E V
4
,
Bovin N. V.
1
,
TUZIKOV A.B.
1
,
Oleinikov Vladimir
1, 2
,
Zalygin Anton
1, 2
2
Publication type: Journal Article
Publication date: 2023-04-01
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 5.8
ISSN: 09277765, 18734367
Physical and Theoretical Chemistry
General Medicine
Colloid and Surface Chemistry
Biotechnology
Surfaces and Interfaces
Abstract
For the biomedical applications of nanoparticles, the study of their structure is a major step towards understanding the mechanisms of their interaction with biological environment. Detailed structural analysis of particles’ surface is vital for rational design of drug delivery systems. In particular, for core-shell or surface-modified nanoparticles surface structure can be described in terms of shell coating uniformity and shell thickness uniformity around the nanoparticle core. Taken together, these terms can be used to indicate degree of heterogeneity of nanoparticle surface structure. However, characterization of nanoparticle surface structure under physiological conditions is challenging due to limitations of experimental techniques. In this paper, we apply SAXS contrast variation combined with ab initio bead modeling for this purpose. Approach is based on the fact that nanoparticles under study are produced by self-assembly of phospholipid-conjugated molecules that possess moieties with significantly different electron densities enabling SAXS technique to be used to distinguish nanoparticle shell and study its structure. Ab initio single phase and ab initio multiphase modeling based on SAXS curve of nanoparticles in phosphate buffer solution allowed to reconstruct nanoparticle shell coating and assess its uniformity, while serial nanoparticle reconstructions from solutions with gradually increased solvent electron densities revealed relative shell coating thickness around nanoparticle core. Nanoparticle shell structure representation was verified by molecular dynamics simulation and derived full-atom nanoparticle shell structure showed good agreement with SAXS-derived representation. Obtained data indicate that studied nanoparticles exhibit highly heterogeneous surface structure.
Citations by journals
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Biomaterials Science
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Biomaterials Science
1 publication, 50%
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Physics of Atomic Nuclei
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Physics of Atomic Nuclei
1 publication, 50%
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Citations by publishers
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Royal Society of Chemistry (RSC)
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Royal Society of Chemistry (RSC)
1 publication, 50%
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Pleiades Publishing
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Pleiades Publishing
1 publication, 50%
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1
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Vaskan I. et al. Assessment of core-shell nanoparticles surface structure heterogeneity by SAXS contrast variation and ab initio modeling // Colloids and Surfaces B: Biointerfaces. 2023. Vol. 224. p. 113183.
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Vaskan I., Prikhodko A., Petoukhov M. V., Shtykova E. V., Bovin N. V., TUZIKOV A., Oleinikov V., Zalygin A. Assessment of core-shell nanoparticles surface structure heterogeneity by SAXS contrast variation and ab initio modeling // Colloids and Surfaces B: Biointerfaces. 2023. Vol. 224. p. 113183.
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TY - JOUR
DO - 10.1016/j.colsurfb.2023.113183
UR - https://doi.org/10.1016%2Fj.colsurfb.2023.113183
TI - Assessment of core-shell nanoparticles surface structure heterogeneity by SAXS contrast variation and ab initio modeling
T2 - Colloids and Surfaces B: Biointerfaces
AU - Vaskan, Ivan
AU - Prikhodko, A.T.
AU - Petoukhov, M. V.
AU - Shtykova, E V
AU - Bovin, N. V.
AU - TUZIKOV, A.B.
AU - Oleinikov, Vladimir
AU - Zalygin, Anton
PY - 2023
DA - 2023/04/01 00:00:00
PB - Elsevier
SP - 113183
VL - 224
SN - 0927-7765
SN - 1873-4367
ER -
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@article{2023_Vaskan,
author = {Ivan Vaskan and A.T. Prikhodko and M. V. Petoukhov and E V Shtykova and N. V. Bovin and A.B. TUZIKOV and Vladimir Oleinikov and Anton Zalygin},
title = {Assessment of core-shell nanoparticles surface structure heterogeneity by SAXS contrast variation and ab initio modeling},
journal = {Colloids and Surfaces B: Biointerfaces},
year = {2023},
volume = {224},
publisher = {Elsevier},
month = {apr},
url = {https://doi.org/10.1016%2Fj.colsurfb.2023.113183},
pages = {113183},
doi = {10.1016/j.colsurfb.2023.113183}
}