Optical Spectroscopy and Computational Methods in Biology and Medicine, 2014
Challenges and Advances in Computational Chemistry and Physics Series, Vol. 14

This multi-author contributed volume gives a comprehensive overview of recent progress in various vibrational spectroscopic techniques and chemometric methods and their applications in chemistry, biology and medicine. In order to meet the needs of readers, the book focuses on recent advances in technical development and potential exploitations of the theory, as well as the new applications of vibrational methods to problems of recent general interest that were difficult or even impossible to achieve in the not so distant past. Integrating vibrational spectroscopy and computational approaches serves as a handbook for people performing vibrational spectroscopy followed by chemometric analysis hence both experimental methods as well as procedures of recommended analysis are described. This volume is written for individuals who develop new methodologies and extend these applications to new realms of chemical and medicinal interest.

From the Contents: Raman and FT-IR spectroscopy: theory and general overview on application in biology and medicine.- Overview on computational techniques used for analysis of biological systems lub.- Application of computational techniques – quantum and molecular modeling – to study dynamics and spectroscopic properties of fluorescence probes in biological systems.- Raman imaging: experimental techniques and chemometric analysis.- Qualitative and quantitative FT-Raman analysis of plants.- Structural analysis of carotenoids in a single cells monitored by Raman spectroscopy supported by computational methods.- EMSC corrected Raman spectra used for medical diagnosis.- Raman polarization methods as a tool for visualization of various structures and pathology loci in tissue.- Structural studies on drug molecules.

Aimed at experimentalists and theoreticians Useful for multivariate data analysis users Presents recent developments and applications in vibrational spectroscopy and chemometrics Includes supplementary material: sn.pub/extras