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Molecular dynamics simulation of diffusion of nanoparticles in mucus
Wang JL(王九令); Shi XH(施兴华); Shi, XH (reprint author), Chinese Acad Sci, Natl Ctr Nanosci & Technol, CAS Ctr Excellence Nanosci, CAS Key Lab Nanosyst & Hierarchy Fabricat, Beijing 100190, Peoples R China.; Shi, XH (reprint author), Univ Chinese Acad Sci, Beijing 100049, Peoples R China.
Source PublicationACTA MECHANICA SOLIDA SINICA
2017-06-01
Volume30Issue:3Pages:241-247
ISSN0894-9166
Abstract

The rapid diffusion of nanoparticles (NPs) through mucus layer is critical for efficient transportation of NPs-loaded drug delivery system. To understand how the physical and surface properties of NPs affect their diffusion in mucus, we have developed a coarse-grained molecular dynamics model to study the diffusion of NPs in modeled mucus layer. Both steric obstruction and hydrodynamic interaction are included in the model capable of capturing the key characteristics of NPs' diffusion in mucus. The results show that both particle size and surface properties significantly affect the diffusivities of NPs in mucus. Furthermore, we find rodlike NPs can gain a higher diffusivity than spherical NPs with the same hydrodynamic diameter. In addition, the disturbed environment can enhance the diffusivity of NPs. Our findings can be utilized to design mucus penetrating NPs for targeted drug delivery system. (C) 2017 Published by Elsevier Ltd on behalf of Chinese Society of Theoretical and Applied Mechanics.

KeywordNanoparticle Diffusion Mucus Penetration Fibrous Medium Molecular Dynamics Simulation Drug Delivery
DOI10.1016/j.camss.2017.03.012
URL查看原文
Indexed BySCI ; EI ; CSCD
Language英语
WOS IDWOS:000407907800005
WOS KeywordRapid-transport ; Penetration ; Particles ; Macromolecules ; Nanorods ; Barrier ; Tissues ; Reveal ; Motion ; Entry
WOS Research AreaMaterials Science ; Mechanics
WOS SubjectMaterials Science, Multidisciplinary ; Mechanics
Funding OrganizationNational Natural Science Foundation of China(11422215 ; 11272327 ; 11672079)
CSCD IDCSCD:6073001
DepartmentLNM微结构计算力学
ClassificationQ4
Ranking1
Citation statistics
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/70017
Collection非线性力学国家重点实验室
Corresponding AuthorShi, XH (reprint author), Chinese Acad Sci, Natl Ctr Nanosci & Technol, CAS Ctr Excellence Nanosci, CAS Key Lab Nanosyst & Hierarchy Fabricat, Beijing 100190, Peoples R China.; Shi, XH (reprint author), Univ Chinese Acad Sci, Beijing 100049, Peoples R China.
Recommended Citation
GB/T 7714
Wang JL,Shi XH,Shi, XH ,et al. Molecular dynamics simulation of diffusion of nanoparticles in mucus[J]. ACTA MECHANICA SOLIDA SINICA,2017,30(3):241-247.
APA Wang JL,Shi XH,Shi, XH ,&Shi, XH .(2017).Molecular dynamics simulation of diffusion of nanoparticles in mucus.ACTA MECHANICA SOLIDA SINICA,30(3),241-247.
MLA Wang JL,et al."Molecular dynamics simulation of diffusion of nanoparticles in mucus".ACTA MECHANICA SOLIDA SINICA 30.3(2017):241-247.
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