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Designing Nanoparticle Translocation through Membranes by Computer Simulations
Abstract
Nanoparticle penetration into cells is an important process in drug/gene delivery. Here, we successfully design one type of novel nanoparticles with ligands decorating its surface by dynamic bonds and find that the nanoparticle can spontaneously penetrate through membranes by using dissipative particle dynamics simulations. Moreover, the physical parameters of both ligands (for example, ligand type and density) and nanoparticles (such as size and shape) have significant effects on penetration efficiency and translocation time. Especially for nanoparticles with anisotropic shapes or asymmetric surface decoration, the penetration efficiency may reach about 80%. We also provide insights into the interaction between nanoparticles and asymmetric membranes and find that the membrane asymmetry can even increase the penetration efficiency to above 90%. The present study suggests a potential way to translocate novel nanoparticles through membranes, which may provide new ideas for future experimental nanoparticle design and drug delivery.
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Cites
Fast Parallel Algorithms for Short-Range Molecular Dynamics
Plimpton, S. (1995) · Journal of Computational Physics · doi:10.1006/jcph.1995.1039 · Cited by 44,721
The effect of particle design on cellular internalization pathways
Gratton, S. E. A., Ropp, P. A., Pohlhaus, P. D., Luft, J. C., Madden, V. J., Napier, M. E., & DeSimone, J. M. (2008) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0801763105 · Cited by 2,918
Membranes: A meeting point for lipids, proteins and therapies
Escribá, P. V., González‐Ros, J. M., Goñi, F. M., Kinnunen, P. K. J., Vigh, L., Sánchez‐Magraner, L., Fernández, A. M., Busquets, X., Horváth, I., & Barceló‐Coblijn, G. (2008) · Journal of Cellular and Molecular Medicine · doi:10.1111/j.1582-4934.2008.00281.x · Cited by 454
Cited by
Physical Principles of Nanoparticle Cellular Endocytosis
Zhang, S., Gao, H., & Bao, G. (2015) · ACS Nano · doi:10.1021/acsnano.5b03184 · Cited by 1,103
Integrating Artificial Intelligence and Nanotechnology for Precision Cancer Medicine
Adir, O., Poley, M., Chen, G., Froim, S., Krinsky, N., Shklover, J., Shainsky‐Roitman, J., Lammers, T., & Schroeder, A. (2020) · Advanced Materials · doi:10.1002/adma.201901989 · Cited by 496
Entry of nanoparticles into cells: the importance of nanoparticle properties
Zhao, J., & Stenzel, M. H. (2018) · Polymer Chemistry · doi:10.1039/c7py01603d · Cited by 391
Recent advances in carrier mediated nose-to-brain delivery of pharmaceutics
Bourganis, V., Kammona, O., Alexopoulos, A., & Kiparissides, C. (2018) · European Journal of Pharmaceutics and Biopharmaceutics · doi:10.1016/j.ejpb.2018.05.009 · Cited by 357
Unambiguous observation of shape effects on cellular fate of nanoparticles
Chu, Z., Zhang, S., Zhang, B., Zhang, C., Fang, C.-Y., Rehor, I., Cigler, P., Chang, H.-C., Lin, G., Liu, R., et al. (2014) · Scientific Reports · doi:10.1038/srep04495 · Cited by 277
Nexus between in silico and in vivo models to enhance clinical translation of nanomedicine
Moradi Kashkooli, F., Soltani, M., Souri, M., Meaney, C., & Kohandel, M. (2021) · Nano Today · doi:10.1016/j.nantod.2020.101057 · Cited by 120
Metadata
- Authors
- Ding, H.-M., Tian, W.-D., & Ma, Y.-Q.
- Venue
- ACS Nano
- Publisher
- American Chemical Society (ACS)
- Published
- 2012-01-10
- Volume
- 6
- Issue
- 2
- Pages
- 1230-1238
- ISSN
- 1936-0851 (ISSN-L)
- 1936-086X
- OpenAlex
- W2317597468
- Cited by
- 290
- References
- 3
- FWCI
- 11.90
- Type
- journal article
- Language
- en
- Open access
- closed
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