Anisotropic protein diffusion on nanosurface
The unique puckered structure of α-phase phosphorene carbide (α-PC) results in anisotropic electronic and thermal transporting properties. In the present work, the interactions between a model protein, villin headpiece sub-domain (HP35), and the surface of α-PC and monolayer black phosphorus (MBP, a...
| Main Authors: | , , , , , , |
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
2022
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/154927 |
| _version_ | 1824456470581739520 |
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| author | Liu, Yang Song, Xiaohan Yang, Yanmei Li, Yong-Qiang Zhao, Mingwen Mu, Yuguang Li, Weifeng |
| author2 | School of Biological Sciences |
| author_facet | School of Biological Sciences Liu, Yang Song, Xiaohan Yang, Yanmei Li, Yong-Qiang Zhao, Mingwen Mu, Yuguang Li, Weifeng |
| author_sort | Liu, Yang |
| collection | NTU |
| description | The unique puckered structure of α-phase phosphorene carbide (α-PC) results in anisotropic electronic and thermal transporting properties. In the present work, the interactions between a model protein, villin headpiece sub-domain (HP35), and the surface of α-PC and monolayer black phosphorus (MBP, another puckered nanostructure) were explored by molecular dynamic (MD) simulations. It is found that HP35 diffuses quickly only along the zigzag direction of the α-PC surface. On the MBP surface, HP35 migrates mainly along the zigzag direction but can also easily stride over the ridges and grooves along the armchair direction. Moreover, the mild binding strength between α-PC and HP35 does not cause distortion in the protein structure. The intrinsic biocompatibility of α-PC, which is distinct from several other widely studied nanomaterials, such as carbon nanotubes, graphene and MoS2, makes it a promising candidate in functional biomedical applications. |
| first_indexed | 2025-02-19T03:54:37Z |
| format | Journal Article |
| id | ntu-10356/154927 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2025-02-19T03:54:37Z |
| publishDate | 2022 |
| record_format | dspace |
| spelling | ntu-10356/1549272022-01-14T08:41:19Z Anisotropic protein diffusion on nanosurface Liu, Yang Song, Xiaohan Yang, Yanmei Li, Yong-Qiang Zhao, Mingwen Mu, Yuguang Li, Weifeng School of Biological Sciences Science::Chemistry Black Phosphorus Single-Layer The unique puckered structure of α-phase phosphorene carbide (α-PC) results in anisotropic electronic and thermal transporting properties. In the present work, the interactions between a model protein, villin headpiece sub-domain (HP35), and the surface of α-PC and monolayer black phosphorus (MBP, another puckered nanostructure) were explored by molecular dynamic (MD) simulations. It is found that HP35 diffuses quickly only along the zigzag direction of the α-PC surface. On the MBP surface, HP35 migrates mainly along the zigzag direction but can also easily stride over the ridges and grooves along the armchair direction. Moreover, the mild binding strength between α-PC and HP35 does not cause distortion in the protein structure. The intrinsic biocompatibility of α-PC, which is distinct from several other widely studied nanomaterials, such as carbon nanotubes, graphene and MoS2, makes it a promising candidate in functional biomedical applications. This work is supported by the National Natural Science Foundation of China (Grant No. 11874238), the Natural Science Foundation of Shandong Province (Grant No. ZR2018MA034) and Fundamental Research Funds of Shandong University. 2022-01-14T08:41:19Z 2022-01-14T08:41:19Z 2020 Journal Article Liu, Y., Song, X., Yang, Y., Li, Y., Zhao, M., Mu, Y. & Li, W. (2020). Anisotropic protein diffusion on nanosurface. Nanoscale, 12(8), 5209-5216. https://dx.doi.org/10.1039/c9nr08555f 2040-3364 https://hdl.handle.net/10356/154927 10.1039/c9nr08555f 32073019 2-s2.0-85081157476 8 12 5209 5216 en Nanoscale © The Royal Society of Chemistry 2020. All rights reserved. |
| spellingShingle | Science::Chemistry Black Phosphorus Single-Layer Liu, Yang Song, Xiaohan Yang, Yanmei Li, Yong-Qiang Zhao, Mingwen Mu, Yuguang Li, Weifeng Anisotropic protein diffusion on nanosurface |
| title | Anisotropic protein diffusion on nanosurface |
| title_full | Anisotropic protein diffusion on nanosurface |
| title_fullStr | Anisotropic protein diffusion on nanosurface |
| title_full_unstemmed | Anisotropic protein diffusion on nanosurface |
| title_short | Anisotropic protein diffusion on nanosurface |
| title_sort | anisotropic protein diffusion on nanosurface |
| topic | Science::Chemistry Black Phosphorus Single-Layer |
| url | https://hdl.handle.net/10356/154927 |
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