Title
Elastic moduli of biological fibers in a coarse-grained model: Crystalline cellulose and β-amyloids
Date Issued
01 January 2017
Access level
metadata only access
Resource Type
journal article
Author(s)
Chwastyk M.
Cieplak M.
Polish Academy of Sciences
Publisher(s)
Royal Society of Chemistry
Abstract
We study the mechanical response of cellulose and β-amyloid microfibrils to three types of deformation: tensile, indentational, and shear. The cellulose microfibrils correspond to the allomorphs Iα or Iβ whereas the β-amyloid microfibrils correspond to the polymorphs of either two- or three-fold symmetry. This response can be characterized by three elastic moduli, namely, YL, YT, and S. We use a structure-based coarse-grained model to analyze the deformations in a unified manner. We find that each of the moduli is almost the same for the two allomorphs of cellulose but YL is about 20 times larger than YT (140 GPa vs. 7 GPa), indicating the existence of significant anisotropy. For cellulose we note that the anisotropy results from the involvement of covalent bonds in stretching. For β-amyloid, the sense of anisotropy is opposite to that of cellulose. In the three-fold symmetry case, YL is about half of YT (3 vs. 7) whereas for two-fold symmetry the anisotropy is much larger (1.6 vs. 21 GPa). The S modulus is derived to be 1.2 GPa for three-fold symmetry and one half of it for the other symmetry and 3.0 GPa for cellulose. The values of the moduli reflect deformations in the hydrogen-bond network. Unlike in our theoretical approach, no experiment can measure all three elastic moduli with the same apparatus. However, our theoretical results are consistent with various measured values: typical YL for cellulose Iβ ranges from 133 to 155 GPa, YT from 2 to 25 GPa, and S from 1.8 to 3.8 GPa. For β-amyloid, the experimental values of S and YT are about 0.3 GPa and 3.3 GPa respectively, while the value of YL has not been reported.
Start page
28195
End page
28206
Volume
19
Issue
41
Language
English
OCDE Knowledge area
Ingeniería química Química física
Scopus EID
2-s2.0-85032616448
PubMed ID
Source
Physical Chemistry Chemical Physics
ISSN of the container
14639076
Sponsor(s)
A. Poma acknowledges helpful discussions with R. Szoszkiewicz regarding the theory of AFM-nanoindentation. This research has been supported by the European Framework Programme VII NMP grant 604530-2 (CellulosomePlus) and by the EU Joint Programme in Neurodegenerative Diseases project (JPND CD FP-688-059) through the National Science Centre (2014/15/Z/ NZ1/00037) in Poland. It was also co-financed by the Polish Ministry of Science and Higher Education from the resources granted for the years 2014–2017 in support of international scientific projects. This research was supported in part by PLGrid Infrastructure.
Sources of information: Directorio de Producción Científica Scopus