Samuel, Ashok Zachariah and Umapathy, Siva (2014) Energy funneling and macromolecular conformational dynamics: a 2D Raman correlation study of PEG melting. In: POLYMER JOURNAL, 46 (6). pp. 330-336.
Full text not available from this repository. (Request a copy)Abstract
Cascading energy landscapes through funneling has been postulated as a mechanistic route for achieving the lowest energy configuration of a macromolecular system (such as proteins and polymers). In particular, understanding the molecular mechanism for the melting and crystallization of polymers is a challenging fundamental question. The structural modifications that lead to the melting of poly(ethylene glycol) (PEG) are investigated here. Specific Raman bands corresponding to different configurations of the PEG chain have been identified, and the molecular structural dynamics of PEG melting have been addressed using a combination of Raman spectroscopy, 2D Raman correlation and density functional theory (DFT) calculations. The melting dynamics of PEG have been unambiguously explained along the C-O bond rotation coordinate.
| Item Type: | Journal Article |
|---|---|
| Publication: | POLYMER JOURNAL |
| Publisher: | NATURE PUBLISHING GROUP |
| Additional Information: | Copyright for this article belongs to the NATURE PUBLISHING GROUP, 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA |
| Keywords: | gauche effect; melting dynamics; polyethylene glycol; Raman spectroscopy; two-dimensional correlation |
| Department/Centre: | Division of Chemical Sciences > Inorganic & Physical Chemistry |
| Date Deposited: | 27 Jun 2014 05:46 |
| Last Modified: | 27 Jun 2014 05:46 |
| URI: | http://eprints.iisc.ac.in/id/eprint/49369 |
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