Abstract
One of the important trends of modern nanobiophysics is the development of the drug delivery systems on the basis unilamellar vesicles (ULVs) of phospholipids. The small angle scattering of neutrons (SANS) and of X-rays (SAXS) are well known tools for investigation of the structure of the nanosystems like ULVs. In our study, analysis of SANS/SAXS experimental data is based on the separated form factors method (SFF). Effectiveness of parallel implementation of the SFF approach on the basis of MPI-version of the local minimization procedure is investigated; the results of SFF-SANS analysis of structure of the phospholipid ULVs are presented.
The work is performed under the grant of Russian Science Foundation (project No 14-12-00516).
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References
Das, S., Chaudhury, A.: Recent advances in lipid nanoparticle formulations with solid matrix for oral drug delivery. AAPS PharmSci. Tech. 12, 62–76 (2011)
Martins, S., Sarmento, B., Ferreira, D.C., Souto, E.B.: Lipid-based colloidal carriers for peptide and protein delivery - liposomes versus lipid nanoparticles. Int. J. Nanomed. 2, 595–607 (2007)
Kiselev, M.A., Zemlyanaya, E.V., Aswal, V.K., Neubert, R.: What can we learn about the lipid vesicle structure from the small angle neutron scattering experiment? Eur. Biophys. J. 35, 477–493 (2006)
Zhabitskaya, E.I., Zhabitsky, M.V.: Asynchronous differential evolution with adaptive correlation matrix. In: Proceedings of the 15th Annual Conference on Genetic and Evolutionary Computation, NY, USA, pp. 455–462 (2013). ISBN 978-1-4503-1963-8
Kiselev, M.A., Zemlyanaya, E.V., Zhabitskaya, E.I., Aksenov, V.L.: Investigation into the structure of unilamellar dimyristoylphosphocholine vesicles in aqueous sucrose solutions by small-angle neutron and X-ray scattering. Crystallogr. Rep. 60, 143–147 (2015)
Kurbatov, V.S., Silin, I.N.: New method for minimizing regular functions with constraints on parameter region. Nucl. Instr. Meth. A 345, 346–350 (1994)
Sitnik, I.M.: The new version of the FUMILIM minimization package. Comput. Phys. Comm. 209, 199–204 (2016)
Zemlyanaya, E.V., et al.: Structure of unilamellar vesicles:numerical analysis based on small-angle neutron scattering data. Crystallogr. Rep. 51(Suppl. 1), S22–S26 (2006)
Kiselev, M.A., Zemlyanaya, E.V., Ryabova, N.Y., Hauss, T., Dante, S., Lombardo, D.: Water distribution function across the curved lipid bilayer: SANS study. Chem. Phys. 345, 185–190 (2008)
Kiselev, M.A., et al.: Influence of ceramide on the internal structure and hydration of the phospholipid bilayer studied by neutron and X-ray scattering. Appl. Phys. A Mater. Sci. 116, 319–325 (2014)
Kiselev, M.A., Zemlyanaya, E.V.: Dimethyl Sulfoxide-Induced dehydration of the intermembrane space of dipalmitoylphosphatidylcholine multilamellar vesicles: neutron and synchrotron diffraction study. Crystallogr. Rep. 62(5), 763–767 (2017)
Bashashin, M., Zemlyanaya, E., Zhabitskaya, E., Kiselev, M., Sapozhnikova, T.: Determination of the vesicular systems parameters: parallel implementation and analysis of the PTNS vesicle structure. Eur. Phys. J. Web Conf. 173, 05003 (2018)
Sapozhnikov A. P.: Parallel version of Fumili program. JINR LIT Scientific report 2008–2009. JINR, Publishing Department, Dubna, pp. 96–98 (2009)
Archakov, A.I. et al.: Based on botanical phospholipids nanosystem for activation of biologically active compounds, and method of its manufacture (versions). Patent RU 2391966 1, Russian Federation
Kiselev, M.A., et al.: Influence of trehalose on the structure of unilamellar DMPC vesicles. Colloids Surf. A 256 1–7 (2005)
Zhabitskaya, E., Zemlyanaya, E., Kiselev, M., Gruzinov, A.: The parallel asynchronous differential evolution method as a tool to analyze synchrotronous scattering experimental data from vesicular systems. In: EPJ Web of Conference , vol. 108, p. 02047 (2016)
Kiselev, M.A., Zemlyanaya, E.V., Gruzinov, A.Yu., Zhabitskaya, E.I., Ipatova, O.M., Aksenov, V.L.: Analysis of Vesicular Structure of Nanoparticles in the Phospholipid Based Drug Delivery System using SAXS data. JINR Preprint P3–2017-32, Dubna (2017). Accepted to Crystallography Reports
Kiselev, M.A., et al.: Application of small-angle X-ray scattering to the characterization and quantification of the drug transport nanosystem based on thesoybean phosphatidylcholine. J. Pharm. Biomed. Anal. 114, 288–291 (2015)
Zemlyanaya, E.V., et al.: SFF analysis of the small angle scattering data for investigation of a vesicle systems structure. J. Phys. Conf. Ser. 724, 012056 (2016)
Zemlyanaya, E.V., et al.: The small-angle neutron scattering data analysis of the phospholipid transport nanosystem structure. J. Phys. Conf. Ser. 1023, 012017 (2018)
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Bashashin, M., Zemlyanaya, E., Kiselev, M. (2019). Parallel SFF-SANS Study of Structure of Polydispersed Vesicular Systems. In: Nikolov, G., Kolkovska, N., Georgiev, K. (eds) Numerical Methods and Applications. NMA 2018. Lecture Notes in Computer Science(), vol 11189. Springer, Cham. https://doi.org/10.1007/978-3-030-10692-8_34
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