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Normal vibrations of crystalline polyglycine I
Open accessAbstract
A valence force field has been refined for crystalline polyglycine I using its known antiparallel chain pleated‐sheet structure and without replacing the CH 2 group by a point mass. Polyglycine I and four of its isotopic derivatives were used in the refinement. The calculated frequencies are in good agreement with the observed, except for the amide I modes. It is shown that this is a consequence of the fact that no reasonable force field predicts a large D10 term of the Miyazawa perturbation treatment. The amide I splittings can, however, be satisfactorily accounted for by introducing a direct interaction force constant between adjacent CO groups in neighboring chains. This can reasonably arise from transition dipole coupling and corresponds to the heretofore neglected D11 term.
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Citations
Cited by
Infrared spectroscopy of proteins
Barth, A. (2007) · Biochimica et Biophysica Acta (BBA) - Bioenergetics · doi:10.1016/j.bbabio.2007.06.004 · Cited by 5,129
“Only with the introduction of the transition dipole coupling mechanism [170] this splitting in a main band near 1630 cm − 1 and a side band near 1690 cm − 1 could be explained.”
BackgroundWhat vibrations tell about proteins
Barth, A., & Zscherp, C. (2002) · Quarterly Reviews of Biophysics · doi:10.1017/s0033583502003815 · Cited by 2,088
Li, Z.-R., Wang, B., Chi, C.-F., Zhang, Q.-H., Gong, Y.-D., Tang, J.-J., Luo, H.-Y., & Ding, G.-F. (2013) · Food Hydrocolloids · doi:10.1016/j.foodhyd.2012.10.001 · Cited by 314
Terahertz Spectroscopic Analysis of Peptides and Proteins
Falconer, R. J., & Markelz, A. G. (2012) · Journal of Infrared, Millimeter, and Terahertz Waves · doi:10.1007/s10762-012-9915-9 · Cited by 181
Metadata
- Authors
- Abe, Y., & Krimm, S.
- Venue
- Biopolymers
- Publisher
- Wiley
- Published
- 1972-09
- Volume
- 11
- Issue
- 9
- Pages
- 1817-1839
- ISSN
- 0006-3525 (ISSN-L)
- 1097-0282
- OpenAlex
- W2041783403
- Cited by
- 217
- References
- 0
- FWCI
- 1.76
- Type
- journal article
- Language
- en
- Open access
- green
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- Abe, Y., & Krimm, S. (1972). Normal vibrations of crystalline polyglycine I. Biopolymers. https://doi.org/10.1002/bip.1972.360110905
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