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Sum frequency vibrational spectroscopy: the molecular origins of the optical second-order nonlinearity of collagen. | LitMetric

AI Article Synopsis

  • * Key molecular groups contributing to these effects include methylene groups and carbonyl/peptide groups tied to the amide I band.
  • * Methylene groups provide a strong achiral contribution due to their tilt, while carbonyl groups yield a chiral contribution that spans from molecular to supramolecular levels.

Article Abstract

The molecular origins of second-order nonlinear effects in type I collagen fibrils have been identified with sum-frequency generation vibrational spectroscopy. The dominant contributing molecular groups are: 1), the methylene groups associated with a Fermi resonance between the fundamental symmetric stretch and the bending overtone of methylene; and 2), the carbonyl and peptide groups associated with the amide I band. The noncentrosymmetrically aligned methylene groups are characterized by a distinctive tilt relative to the axis perpendicular to the main axis of the collagen fiber, a conformation producing a strong achiral contribution to the second-order nonlinear effect. In contrast, the stretching vibration of the carbonyl groups associated with the amide I band results in a strong chiral contribution to the optical second-order nonlinear effect. The length scale of these chiral effects ranges from the molecular to the supramolecular.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2098726PMC
http://dx.doi.org/10.1529/biophysj.107.111047DOI Listing

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