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Restoring structural parameters of lipid mixtures from small-angle X-ray scattering data

Small-angle X-ray scattering (SAXS) is widely utilized to study soluble macromolecules, including those embedded into lipid carriers and delivery systems such as surfactant micelles, phospho­lipid vesicles and bilayered nanodiscs. To adequately describe the scattering from such systems, one needs to...

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Autores principales: Konarev, Petr V., Gruzinov, Andrey Yu., Mertens, Haydyn D. T., Svergun, Dmitri I.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7941313/
https://www.ncbi.nlm.nih.gov/pubmed/33833646
http://dx.doi.org/10.1107/S1600576720015368
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author Konarev, Petr V.
Gruzinov, Andrey Yu.
Mertens, Haydyn D. T.
Svergun, Dmitri I.
author_facet Konarev, Petr V.
Gruzinov, Andrey Yu.
Mertens, Haydyn D. T.
Svergun, Dmitri I.
author_sort Konarev, Petr V.
collection PubMed
description Small-angle X-ray scattering (SAXS) is widely utilized to study soluble macromolecules, including those embedded into lipid carriers and delivery systems such as surfactant micelles, phospho­lipid vesicles and bilayered nanodiscs. To adequately describe the scattering from such systems, one needs to account for both the form factor (overall structure) and long-range-order Bragg reflections emerging from the organization of bilayers, which is a non-trivial task. Presently existing methods separate the analysis of lipid mixtures into distinct procedures using form-factor fitting and the fitting of the Bragg peak regions. This article describes a general approach for the computation and analysis of SAXS data from lipid mixtures over the entire angular range of an experiment. The approach allows one to restore the electron density of a lipid bilayer and simultaneously recover the corresponding size distribution and multilamellar organization of the vesicles. The method is implemented in a computer program, LIPMIX, and its performance is demonstrated on an aqueous solution of layered lipid vesicles undergoing an extrusion process. The approach is expected to be useful for the analysis of various types of lipid-based systems, e.g. for the characterization of interactions between target drug molecules and potential carrier/delivery systems.
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spelling pubmed-79413132021-04-07 Restoring structural parameters of lipid mixtures from small-angle X-ray scattering data Konarev, Petr V. Gruzinov, Andrey Yu. Mertens, Haydyn D. T. Svergun, Dmitri I. J Appl Crystallogr Research Papers Small-angle X-ray scattering (SAXS) is widely utilized to study soluble macromolecules, including those embedded into lipid carriers and delivery systems such as surfactant micelles, phospho­lipid vesicles and bilayered nanodiscs. To adequately describe the scattering from such systems, one needs to account for both the form factor (overall structure) and long-range-order Bragg reflections emerging from the organization of bilayers, which is a non-trivial task. Presently existing methods separate the analysis of lipid mixtures into distinct procedures using form-factor fitting and the fitting of the Bragg peak regions. This article describes a general approach for the computation and analysis of SAXS data from lipid mixtures over the entire angular range of an experiment. The approach allows one to restore the electron density of a lipid bilayer and simultaneously recover the corresponding size distribution and multilamellar organization of the vesicles. The method is implemented in a computer program, LIPMIX, and its performance is demonstrated on an aqueous solution of layered lipid vesicles undergoing an extrusion process. The approach is expected to be useful for the analysis of various types of lipid-based systems, e.g. for the characterization of interactions between target drug molecules and potential carrier/delivery systems. International Union of Crystallography 2021-02-01 /pmc/articles/PMC7941313/ /pubmed/33833646 http://dx.doi.org/10.1107/S1600576720015368 Text en © Petr V. Konarev et al. 2021 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Papers
Konarev, Petr V.
Gruzinov, Andrey Yu.
Mertens, Haydyn D. T.
Svergun, Dmitri I.
Restoring structural parameters of lipid mixtures from small-angle X-ray scattering data
title Restoring structural parameters of lipid mixtures from small-angle X-ray scattering data
title_full Restoring structural parameters of lipid mixtures from small-angle X-ray scattering data
title_fullStr Restoring structural parameters of lipid mixtures from small-angle X-ray scattering data
title_full_unstemmed Restoring structural parameters of lipid mixtures from small-angle X-ray scattering data
title_short Restoring structural parameters of lipid mixtures from small-angle X-ray scattering data
title_sort restoring structural parameters of lipid mixtures from small-angle x-ray scattering data
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7941313/
https://www.ncbi.nlm.nih.gov/pubmed/33833646
http://dx.doi.org/10.1107/S1600576720015368
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