Polarized ir and Raman spectra have been obtained on oriented films of a-helical poly(L-alanine) (a-PLA) and its N-deuterated derivative. These improved spectra permit a more complete assignment of observed bands to A-, E 1 -, and E 2 -species modes. A new empirical force field has been refined, bas
Breathing vibration of poly-L-alanine α-helix
✍ Scribed by Koichi Itoh; Takehiko Shimanouchi
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 1971
- Tongue
- English
- Weight
- 105 KB
- Volume
- 10
- Category
- Article
- ISSN
- 0006-3525
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✦ Synopsis
Breathing V i b r a t i o n of Poly-1-alanine a-Helix
I n a previous paper' the normal frequencies and modes were calculated for the poly-1,-alanine a-helix, arid the far-infrared ahsorpt,iori barids arid their dichroism were interpreted. Almost all the calculated vibrations have their corresponding absorption bands. However, we could not find the hand for the A species ~1 7 , the calrtilated frequency being 259 cm-1. The vibrational mode shown in Figiire 4 of reference 1 tells that this is the breat.hirig vibration of the 0-helix backbone.
Recently the I<amaii spectra were measured for poly-1,-alanine by Koenig and Sutt,on2 and by Faricorii et al.3 The correspondence between the calculated frequencies
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The laser-excited Raman vibrational spectrum of poly-L-alanine has been obtained. The Raman spectrum is compared with the infrared spectrum and vibrational frequencies calculated from normal coordinate analysis. The symmetric modes of the a-helix appear with strong intensity in the ltaman spectrum.
In Fig. 5,[6] X lo-" shoiild read [el x 10-4.
A normal coordinate analysis for cyclic tetra-Lalanine molecule is reported. A comparison of amide modes and other low-frequency vibrations sensitive to conformational changes is made with t.hose in poly-Lalanine. Intramolecular coupling coefficients are calculated using perturbation treatment.
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## Abstract In the present paper, we report the Fourier transform infra‐red (FTIR) spectra and an analysis of the normal modes and their dispersion, based on the calculations for an infinite chain and Urey Bradley force field with nonbonded interactions. The results thus obtained agree well with th