When we apply the spectroscopic techniques to structure analysis of molecules, relationship should be established between spectral signatures in spectrum and structure in advance. We have developed the spectroscopic markers for the structure analysis of biomolecules, in particular proteins.

IR marker of anti-parallel -sheet structures in fibrils
We demonstrated that the IR absorption band at ~1695 cm-1 is available as the marker of the anti-parallel -sheet in the amyloid fibrils, in which the -sheet structure is "infinitely large", by showing parallel IR linear dichroism of this band. In this study, it was also shown that the amyloid fibril of 2m21-29 [21NFLNCYVSG29], a partial fragment of 2-microglobulin, serves as a model of the anti-parallel -sheet structure in amyloid fibril.
H.Hiramatsu, M.Lu, Y.Goto, T.Kitagawa, Bulletin of the Chemical Society of Japan 2010, 83, 495-504.

Raman marker bands of structure of Histidine side chain
In preparation. Please refer to
"Effects of conformation and hydrogen bonding on the C=C and NCN stretching Raman bands of N-deuterated histidinium,"
H.Hiramatsu, N.Miki, H.Takeuchi,
Journal of Raman Spectroscopy 2010, 41, 1418-1423.

Signature of Cu2+-Trp interaction in circular dichroism spectrum
In preparation. Please refer to
"Evidence for the Cation- Interaction between Cu2+ and Tryptophan,"
H.Yorita, K.Otomo, H.Hiramatsu, A.Toyama, T.Miura, H.Takeuchi,
Journal of the American Chemical Society 2008, 130, 15266-15267.