Determination of the packing model of a supramolecular nanofiber via mass-per-length measurement and de novo simulation
文献类型：期刊论文
| 作者 | Yao, Qingxin1; Bao, Qiang2,3; Li, Xinming4; Wang, Hui2; Yang, Zhenyu3; Shi, Xinghua2,5; Gao, Yuan1; Xu, Bing6 |
| 刊名 | Nanoscale
 |
| 出版日期 | 2018-02-28 |
| 卷号 | 10期号:8页码:3990-3996 |
| ISSN号 | 2040-3364 |
| DOI | 10.1039/c8nr00031j |
| 通讯作者 | Shi, xinghua(shixh@nanoctr) ; Gao, yuan(gaoy@nanoctr.cn) |
| 英文摘要 | Herein, we report an example of using scanning transmission electron microscopy to determine the mass-per-length of supramolecular nanofibers. together with the measurement of the diameter of nanofibers via transmission electron microscopy, we could estimate the packing density of assembling molecules along the nanofibers. a parallel unbiased de novo simulation screens and reveals the most plausible molecular packing pattern of small molecules along the supramolecular nanofibers. remarkably, the simulated packing patterns and density correlate well with the experimental measurements. unexpectedly, the naphthalene groups are likely facing outward, creating a hydrophobic surface, which is driven by the geometry of the hydrogelator molecule. overall, this study establishes a complementary method to determine molecular arrangement along the supramolecular nanofibers, which is potentially useful for the guidance of rational design of biomaterials based on self-assembly. |
| WOS关键词 | FORCE-FIELD ; AMPHIPHILES ; HYDROGEL |
| WOS研究方向 | Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics |
| WOS类目 | Chemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied |
| 语种 | 英语 |
| WOS记录号 | WOS:000426148500047 |
| 出版者 | ROYAL SOC CHEMISTRY |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2178052 |
| 专题 | 高能物理研究所 |
| 通讯作者 | Shi, Xinghua; Gao, Yuan |
| 作者单位 | 1.Chinese Acad Sci, Natl Ctr Nanosci & Technol, CAS Ctr Excellence Nanosci, CAS Key Lab Biomed Effects Nanomat & Nanosafety, Beijing 100190, Peoples R China 2.Chinese Acad Sci, Natl Ctr Nanosci & Technol, CAS Ctr Excellence Nanosci, CAS Key Lab Nanosyst & Hierarchy Fabricat, Beijing 100190, Peoples R China 3.Beihang Univ BUAA, Inst Solid Mech, Beijing 100083, Peoples R China 4.Soochow Univ, Coll Chem Chem Engn & Mat Sci, State & Local Joint Engn Lab Novel Funct Polymer, Suzhou 215123, Peoples R China 5.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China 6.Brandeis Univ, Dept Chem, 415 South St, Waltham, MA 02454 USA |
| 推荐引用方式 GB/T 7714 | Yao, Qingxin,Bao, Qiang,Li, Xinming,et al. Determination of the packing model of a supramolecular nanofiber via mass-per-length measurement and de novo simulation[J]. Nanoscale,2018,10(8):3990-3996. |
| APA | Yao, Qingxin.,Bao, Qiang.,Li, Xinming.,Wang, Hui.,Yang, Zhenyu.,...&Xu, Bing.(2018).Determination of the packing model of a supramolecular nanofiber via mass-per-length measurement and de novo simulation.Nanoscale,10(8),3990-3996. |
| MLA | Yao, Qingxin,et al."Determination of the packing model of a supramolecular nanofiber via mass-per-length measurement and de novo simulation".Nanoscale 10.8(2018):3990-3996. |
入库方式： iSwitch采集
来源：高能物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。