NDLI: Structure and dynamics of a complex of cellulose with EDA: insights into the action of amines on cellulose

Content Provider	Springer Nature Link
Author	Sawada, Daisuke Nishiyama, Yoshiharu Petridis, Loukas Parthasarathi, R. Gnanakaran, S. Forsyth, V. Trevor Wada, Masahisa Langan, Paul
Copyright Year	2013
Abstract	The neutron structure of a complex of EDA with cellulose has been determined to reveal the location of hydrogen atoms involved in hydrogen-bonding. EDA disrupts the hydrogen-bonding pattern of naturally occurring cellulose by accepting a strong hydrogen-bond from the O6 hydroxymethyl group as the conformation of this group is rotated from tg to gt. The O3-H·O5 intrachain hydrogen-bond commonly found in cellulose allomorphs is observed to be disordered in the neutron structure, and quantum chemistry and molecular dynamics calculations show that O3 prefers to donate to EDA. The hydrogen-bonding arrangement is highly dynamic with bonds continually being formed and broken thus explaining the difficulty in locating all of the hydrogen atoms in the neutron scattering density maps. Comparison with other polysaccharide-amino complexes supports a common underlying mechanism for amine disruption of cellulose.
Starting Page	1563
Ending Page	1571
Page Count	9
File Format	PDF
ISSN	09690239
Journal	Cellulose
Volume Number	20
Issue Number	4
e-ISSN	1572882X
Language	English
Publisher	Springer Netherlands
Publisher Date	2013-06-22
Publisher Place	Dordrecht
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Neutron diffraction Computational simulation Cellulose amino complex Ethylene diamine Crystal transition Hydrogen-bond Bioorganic Chemistry Physical Chemistry Organic Chemistry Polymer Sciences
Content Type	Text
Resource Type	Article
Subject	Polymers and Plastics

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