Abstract
The remarkable mechanical strength of cellulose reflects the arrangement of multiple β-1,4-linked glucan chains in a para-crystalline fibril. During plant cellulose biosynthesis, a multimeric cellulose synthesis complex (CSC) moves within the plane of the plasma membrane as many glucan chains are synthesized from the same end and in close proximity. Many questions remain about the mechanism of cellulose fibril assembly, for example must multiple catalytic subunits within one CSC polymerize cellulose at the same rate? How does the cellulose fibril bend to align horizontally with the cell wall? Here we used mathematical modeling to investigate the interactions between glucan chains immediately after extrusion on the plasma membrane surface. Molecular dynamics simulations on groups of six glucans, each originating from a position approximating its extrusion site, revealed initial formation of an uncrystallized aggregate of chains from which a protofibril arose spontaneously through a ratchet mechanism involving hydrogen bonds and van der Waals interactions between glucose monomers. Consistent with the predictions from the model, freeze-fracture transmission electron microscopy using improved methods revealed a hemispherical accumulation of material at points of origination of apparent cellulose fibrils on the external surface of the plasma membrane where rosette-type CSCs were also observed. Together the data support the possibility that a zone of uncrystallized chains on the plasma membrane surface buffers the predicted variable rates of cellulose polymerization from multiple catalytic subunits within the CSC and acts as a flexible hinge allowing the horizontal alignment of the crystalline cellulose fibrils relative to the cell wall.
Highlights
Cellulose is the most abundant biopolymer on earth and is found in prokaryotes, animals and plants
The same software was used to fix the atoms at the base of each chain as if they were originating in a circle with 4 nm diameter within one,7 nm diameter rosette cellulose synthesis complex (CSC) globule, and the chains were brought together starting from the top and moving downwards step-by-step
In computational modeling of cellulose protofibril formation, we first simulated the interactions between existing chains that were pre-assembled in an elongated conformation, with the atoms at their base fixed according to the geometry of a CSC globule
Summary
Cellulose is the most abundant biopolymer on earth and is found in prokaryotes, animals and plants. Cellulose fibrils provide essential strength to cell walls of land plants and algae within an integrated network of other polysaccharides, structural proteins, and sometimes lignin. Cellulose typically represents between 15– 45% of the cell wall biomass. The high strength of cellulose fibrils reflects the co-crystallization of numerous high molecular weight b-1,4-glucopyranose chains that are synthesized in close proximity [1,2,3]. Cellulose within plant biomass is used as a renewable source of materials and, more recently, as a reservoir of glucose for biofuels or platform chemicals. The fine structure of cellulose fibrils is important for both types of uses. More avenues to generate plants with optimized cellulose properties will become available through a detailed understanding of how the biophysical features of cellulose are controlled by the biosynthetic process, a goal that has been challenging to achieve
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
