61
Chapter 4
Raman Optical Activity of Biological Samples
Katarzyna Chruszcz-Lipska and Ewan W. Blanch
K. Chruszcz-Lipska ()
Jagiellonian Centre for Experimantal therapeutics, Jagiellonian university,
Bobrzyńskiego 14 Str.,
30-348, Kraków, Poland
e-mail: lipska@chemia.uj.edu.pl
E. W. Blanch
manchester Institute of Biotechnology and Faculty of Life Sciences,
the university of manchester, 131 Princess Street,
m1 7dN, manchester, uK
Abstract In this Chapter, the fundamentals and instrumentation of vibrational
Raman optical activity are briefly presented. Next, we describe selected examples
of successful applications of computational approaches to the analysis of RoA
spectra of biomolecules showing that such calculations are an important aspect of
this incisive structural technique.
Keywords Chirality • Raman optical activity (ROA) • theoretical calculations
• Two-dimentional correlation analysis • Data clustering techniques • terpenes
• Carbohydrates
4.1 Introduction to the Theory of Raman Optical Activity
the fundamental scattering mechanism responsible for RoA was discovered in
1969 by Peter W. Atkins and Laurence d. Barron [1]. these researchers found that
interference between light waves scattered via the molecular polarizability and optical activity tensors of a molecule leads to a dependence of the scattered light intensity on the degree of circular polarization of the incident light and also to a circular
component in the scattered light. Barron along with A.d. Buckingham [1–12] subsequently published a more definitive version of the original theory in which they
also introduced as an experimental observable a quantity they called the dimensionless circular intensity difference (CId), which was defined as:
(4.1)
∆
(
)/ (
)
I
I
I
I
R
L
R
L
m. Baranska (ed.), Optical Spectroscopy and Computational Methods in Biology and
Medicine, Challenges and Advances in Computational Chemistry and Physics 14,
doI 10.1007/978-94-007-7832-0_4, © Springer Science+Business media dordrecht 2014
Chapter 4
Raman Optical Activity of Biological Samples
Katarzyna Chruszcz-Lipska and Ewan W. Blanch
K. Chruszcz-Lipska ()
Jagiellonian Centre for Experimantal therapeutics, Jagiellonian university,
Bobrzyńskiego 14 Str.,
30-348, Kraków, Poland
e-mail: lipska@chemia.uj.edu.pl
E. W. Blanch
manchester Institute of Biotechnology and Faculty of Life Sciences,
the university of manchester, 131 Princess Street,
m1 7dN, manchester, uK
Abstract In this Chapter, the fundamentals and instrumentation of vibrational
Raman optical activity are briefly presented. Next, we describe selected examples
of successful applications of computational approaches to the analysis of RoA
spectra of biomolecules showing that such calculations are an important aspect of
this incisive structural technique.
Keywords Chirality • Raman optical activity (ROA) • theoretical calculations
• Two-dimentional correlation analysis • Data clustering techniques • terpenes
• Carbohydrates
4.1 Introduction to the Theory of Raman Optical Activity
the fundamental scattering mechanism responsible for RoA was discovered in
1969 by Peter W. Atkins and Laurence d. Barron [1]. these researchers found that
interference between light waves scattered via the molecular polarizability and optical activity tensors of a molecule leads to a dependence of the scattered light intensity on the degree of circular polarization of the incident light and also to a circular
component in the scattered light. Barron along with A.d. Buckingham [1–12] subsequently published a more definitive version of the original theory in which they
also introduced as an experimental observable a quantity they called the dimensionless circular intensity difference (CId), which was defined as:
(4.1)
∆
(
)/ (
)
I
I
I
I
R
L
R
L
m. Baranska (ed.), Optical Spectroscopy and Computational Methods in Biology and
Medicine, Challenges and Advances in Computational Chemistry and Physics 14,
doI 10.1007/978-94-007-7832-0_4, © Springer Science+Business media dordrecht 2014