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Findings from Swiss Federal Institute of Technology Broaden Understanding of Extracellular Matrix (A comparative molecular dynamics study of...

July 1, 2014



Findings from Swiss Federal Institute of Technology Broaden Understanding of Extracellular Matrix (A comparative molecular dynamics study of crystalline, paracrystalline and amorphous states of cellulose)

By a News Reporter-Staff News Editor at Life Science Weekly -- Data detailed on Extracellular Matrix have been presented. According to news originating from Zurich, Switzerland, by NewsRx correspondents, research stated, "The quintessential form of cellulose in wood consists of microfibrils that have high aspect ratio crystalline domains embedded within an amorphous cellulose domain. In this study, we apply united-atom molecular dynamics simulations to quantify changes in different morphologies of cellulose."

Our news journalists obtained a quote from the research from the Swiss Federal Institute of Technology, "We compare the structure of crystalline cellulose with paracrystalline and amorphous phases that are both obtained by high temperature equilibration followed by quenching at room temperature. Our study reveals that the paracrystalline phase may be an intermediate, kinetically arrested phase formed upon amorphisation of crystalline cellulose. The quenched structures yield isotropic amorphous polymer domains consistent with experimental results, thereby validating a new computational protocol for achieving amorphous cellulose structure. The non-crystalline cellulose compared to crystalline structure is characterized by a dramatic decrease in elastic modulus, thermal expansion coefficient, bond energies, and number of hydrogen bonds. Analysis of the lattice parameters shows that I beta cellulose undergoes a phase transition into high-temperature phase in the range of 450-550 K. The mechanisms of the phase transition elucidated here present an atomistic view of the temperature dependent dynamic structure and mechanical properties of cellulose. The paracrystalline state of cellulose exhibits intermediate mechanical properties, between crystalline and amorphous phases, that can be assigned to the physical properties of the interphase regions between crystalline and amorphous cellulose in wood microfibrils."

According to the news editors, the research concluded: "Our results suggest an atomistic structural view of amorphous cellulose which is consistent with experimental data available up to date and provide a basis for future multi-scale models for wood microfibrils and all-cellulose nanocomposites."

For more information on this research see: A comparative molecular dynamics study of crystalline, paracrystalline and amorphous states of cellulose. Cellulose, 2014;21(3):1103-1116. Cellulose can be contacted at: Springer, Van Godewijckstraat 30, 3311 Gz Dordrecht, Netherlands. (Springer - www.springer.com; Cellulose - www.springerlink.com/content/0969-0239/)

The news correspondents report that additional information may be obtained from K. Kulasinski, ETH, Chair Bldg Phys, Zurich, Switzerland. Additional authors for this research include S. Keten, S.V. Churakov, D. Derome and J. Carmeliet (see also Extracellular Matrix).

Keywords for this news article include: Zurich, Europe, Physics, Switzerland, Microfibrils, Molecular Dynamics, Extracellular Matrix

Our reports deliver fact-based news of research and discoveries from around the world. Copyright 2014, NewsRx LLC


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Source: Life Science Weekly


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