Code: TOC	Time Slot/Poster Number: 10:30 - 11:00 am	Session: Raman Optical Activity
Resonance Raman Optical Activity: Past, Present and Future
Laurence Nafie
Syracuse University, Syracuse, NY
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Summary
For nearly two decades, the only report of resonance Raman optical activity (RROA) was the observation in 1977 of magnetic RROA in ferrocyctochrome c. In 1996 the single-electronic-state (SES) theory of RROA was published followed by its experimental confirmation in 1998. The SES RROA theory was further confirmed by TD-DFT calculations unconstrained by the form of the SES theory. More recently RROA has been observed in rhodopsin and the europium complex Eu(tfc)3 where in the latter natural electronic RROA was first observed. Future RROA research will involve multiple-excited state theories and ultraviolet laser exication.

Code: TOC	Time Slot/Poster Number: 11:00 - 11:30 am	Session: Raman Optical Activity
Raman and ROA studies of glycosaminoglycan structure
Ewan Blanch
University of Manchester, Manchester, United Kingdom
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Summary
Raman and Raman optical activity spectroscopies show great promise as tools for structural analysis of carbohydrates. We present spectra illustrating the formation of secondary structure in the hyaluronan polymer, an important glycosaminoglycan, and provide a detailed analysis of spectral band-structure relationships.

Code: TOC	Time Slot/Poster Number: 11:30 - 11:50 am	Session: Raman Optical Activity
Raman optical activity study of signatures associated to (TG)_N and (GG)_N conformations of isotactic polypropylene chains using mode localization method.
Vincent Liegeois1; Christoph R. Jacob2; Benoit Champagne1; Markus Reiher2
1FUNDP, Laboratoire de chimie théorique, Namur, Belgium; 2ETH Zurich, Laboratorium fur Physikalische Chemie, Zurich, Switzerland
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Summary
Vibrational Raman Optical activity spectroscopy together with the mode localization method are used to investigate the origin in the difference of VROA signatures between the 3-fold (TG)_N and 4-fold (GG)_N conformations for isotactic polypropylene chain of relatively long size (20 units). In particular, the total VROA backward intensity of the bands as well as their shapes can be rationalized using this methodology and compared between the two conformations.

Code: TOC	Time Slot/Poster Number: 11:50 am - 12:10 pm	Session: Raman Optical Activity
Exploring the Active Site Structure of Photoreceptor Proteins by Raman Optical Activity
Masashi Unno1, 2; Takahito Shingae1; Takashi Kikukawa3; Naoki kamo4
1Saga University, Saga, Japan; 2JST, Kawaguchi, Japan; 3Hokkaido University, Sapporo , Japan; 4Matsuyama University, Matsuyama , Japan
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Summary
A potential technique for structural elucidations of biological molecules is Raman optical activity (ROA), which is a spectroscopic method with a high sensitivity to the structural details of chiral molecules. Although this method has been proven to be useful for structural studies on biological samples, its application to photoreceptor proteins has not been reported. We have constructed ROA spectrometer using near-infrared laser excitation at 785 nm, and its application to biological samples will be discussed.

Code: TOC	Time Slot/Poster Number: 12:10 - 12:30 pm	Session: Raman Optical Activity
Raman Optical Activity of Biomacromolecules: Structural Analysis of Sugar Moieties in Glycoproteins
Christian Johannessen1; Robert Pendrill2; Lutz Hecht1; Göran Widmalm2; Laurence D. Barron1
1University of Glasgow, Glasgow, United Kingdom; 2Stockholm University, Stockholm, Sweden
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Summary
The solution structures of carbohydrates and glycoproteins are examined by a combination of experimental Raman optical activity (ROA) spectroscopy and density functional theory level calculations of ROA spectra. It is shown that the ROA bands observed in glycoproteins mainly originate from vibrational transitions in the glycan moieties of the compounds, and that the solution conformation of glycans can be deduced from smaller oligosaccharide units by comparison of ROA data. The solution conformation of oligosaccharides are examined in further detail by a comparison of experimental and predicted ROA data.