Integrating Optical Spectroscopy and Chemometric Methods

In this Chapter, we describe the usage of several chemometric and numerical techniques to analyse of UV-Vis sets of spectra. The fundamentals of each technique are briefly presented with examples of its applications. This approach allows obtaining deeper

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Challenges and Advances in Computational Chemistry and Physics Volume14

Series Editor:

JERZY LESZCZYNSKI Department of Chemistry, Jackson State University, U.S.A.

For further volumes: http://www.springer.com/series/6918

Optical Spectroscopy and Computational Methods in Biology and Medicine

Edited by

Malgorzata Baranska

Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow, Poland

1  3

Editor Malgorzata Baranska Faculty of Chemistry Jagiellonian University Ingardena 3 Krakow Poland

ISBN 978-94-007-7831-3    ISBN 978-94-007-7832-0 (eBook) DOI 10.1007/978-94-007-7832-0 Springer Dordrecht Heidelberg New York London Library of Congress Control Number: 2013954304 © Springer Science+Business Media Dordrecht 2014 This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission or information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology now known or hereafter developed. Exempted from this legal reservation are brief excerpts in connection with reviews or scholarly analysis or material supplied specifically for the purpose of being entered and executed on a computer system, for exclusive use by the purchaser of the work. Duplication of this publication or parts thereof is permitted only under the provisions of the Copyright Law of the Publisher’s location, in its current version, and permission for use must always be obtained from Springer. Permissions for use may be obtained through RightsLink at the Copyright Clearance Center. Violations are liable to prosecution under the respective Copyright Law. The use of general descriptive names, registered names, trademarks, service marks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. While the advice and information in this book are believed to be true and accurate at the date of publication, neither the authors nor the editors nor the publisher can accept any legal responsibility for any errors or omissions that may be made. The publisher makes no warranty, express or implied, with respect to the material contained herein. Printed on acid-free paper Springer is part of Springer Science+Business Media (www.springer.com)

Preface

This book is focus mainly on vibrational spectroscopy, Raman scattering and infrared absorption, and their applications in biology and medicine. When talking about new techniques, beside imaging or surface-enhanced spectroscopy also the investigation of optical activity of the samples became significantly common. In view of the fact that beside vibrational spectroscopy also electronic absorption is presented here as a potent and complementary tool to study absolute configura