title: Self-assembly mechanisms of nanofibers from peptide amphiphiles in solution and on substrate surfaces.
abstract: We report the investigation of the self-assembly mechanism of nanofibers, using a small peptide amphiphile (NapFFKYp) as a model. Combining experimental and simulation methods, we identify the self-assembly pathways in the solution and on the substrates, respectively. In the solution, peptide amphiphiles undergo the nucleation process to grow into nanofibers. The nanofibers can further twist into high-ordered nanofibers with aging. On the substrates, peptide amphiphiles form nanofibers and nanosheet structures simultaneously. This surface-induced nanosheet consists of rod-like structures, and its thickness is substrate-dependent. Most intriguingly, water can transform the nanosheet into the nanofiber. Molecular dynamic simulation suggests that hydrophobic and ion-ion interactions are dominant forces during the self-assembly process.
authors.affiliation: Department of Mechanical Engineering, National Taiwan University, Taipei 10617, Taiwan and Laboratory of Molecular Imaging and Nanomedicine (LOMIN), National Institute of Biomedical Imaging and Bioengineering (NIBIB), National Institutes of Health, Bethesda, Maryland 20892, USA. shawn.chen@nih.gov and Laboratory of Cellular Imaging and Macromolecular Biophysics, National Institute of Biomedical Imaging and Bioengineering (NIBIB), National Institutes of Health, Bethesda, Maryland 20892, USA. jina@mail.nih.gov.
authors.forename: Hsien-Shun
authors.initials: HS
authors.lastname: Liao
authors.affiliation: Guangdong Key Laboratory for Biomedical Measurements and Ultrasound Imaging, School of Biomedical Engineering, Shenzhen University, Shenzhen 518060, China. peng.huang@szu.edu.cn.
authors.forename: Jing
authors.initials: J
authors.lastname: Lin
authors.affiliation: Fitzpatrick Institute for Photonics, Department of Biomedical Engineering, Duke University, Durham, NC 27708, USA.
authors.forename: Yang
authors.initials: Y
authors.lastname: Liu
authors.affiliation: Guangdong Key Laboratory for Biomedical Measurements and Ultrasound Imaging, School of Biomedical Engineering, Shenzhen University, Shenzhen 518060, China. peng.huang@szu.edu.cn.
authors.forename: Peng
authors.initials: P
authors.lastname: Huang
authors.affiliation: Laboratory of Cellular Imaging and Macromolecular Biophysics, National Institute of Biomedical Imaging and Bioengineering (NIBIB), National Institutes of Health, Bethesda, Maryland 20892, USA. jina@mail.nih.gov.
authors.forename: Albert
authors.initials: A
authors.lastname: Jin
authors.affiliation: Laboratory of Molecular Imaging and Nanomedicine (LOMIN), National Institute of Biomedical Imaging and Bioengineering (NIBIB), National Institutes of Health, Bethesda, Maryland 20892, USA. shawn.chen@nih.gov.
authors.forename: Xiaoyuan
authors.initials: X
authors.lastname: Chen
mesh_terms: D057927:Hydrophobic and Hydrophilic Interactions; D056004:Molecular Dynamics Simulation; D057139:Nanofibers; D010455:Peptides / Q000737:chemistry*; D014867:Water
chemical_list: D010455:Peptides; D014867:Water