Raman and SERS Investigations of Pharmaceuticals
E-Book
Raman and SERS Investigations of Pharmaceuticals
Over the last several years it has become apparent to most researchers that interdisciplinary research is the key to success in the sciences' future. The present book exemplifies such interdisciplinary work. Thus, some new derivatives have been prepared by chemists and consecutively analyzed by physicists in order to better understand their physical-chemical properties for future tests to be performed by pharmacists. The book consists of an introductory section and other eight chapters. First, the fundamentals of infrared, Raman and surface-enhanced Raman spectroscopy and those of the theoretical methods employed for the vibrational prediction modes are highlighted. The SERS investigations illustrated in the following chapters are focused on different kinds of drugs: tranquilizers and sedatives, anti-inflammatory drugs, vitamins, drugs with anti-bacterial properties, etc. Since there is an increased interest in designing highly effective and controllable SERS-active substrates, a few newly developed substrates that could contribute to a deeper understanding and knowledge of the adsorption behavior of various types of molecules of pharmaceutical and medical interest are also presented.
1;Preface;5 2;About the Authors;6 3;Contents;9 4;Abbreviations;12 5;1 Introduction;13 5.1;References;17 6;2 Fundamentals of Infrared and Raman Spectroscopy, SERS, and Theoretical Simulations;21 6.1;2.1 Vibrations of Molecules;21 6.2;2.2 Infrared Spectroscopy;24 6.2.1;2.2.1 Basics;24 6.2.2;2.2.2 FT-Infrared Measurements;27 6.3;2.3 Raman Spectroscopy;28 6.3.1;2.3.1 Basics;28 6.3.2;2.3.2 FT-Raman Measurements;30 6.4;2.4 Surface-Enhanced Raman Spectroscopy;30 6.4.1;2.4.1 Basics;30 6.4.2;2.4.2 Mechanisms of Surface Enhancement;31 6.4.3;2.4.3 SERS-Active Substrates;33 6.4.4;2.4.4 SERS Measurements;36 6.5;2.5 Theoretical Simulations;37 6.5.1;2.5.1 Molecular Mechanics and Electronic Structure Methods;37 6.5.2;2.5.2 The Simulation Model;38 6.5.3;2.5.3 DFT Methods;39 6.5.4;2.5.4 The Basis Set;40 6.5.5;2.5.5 Computational Details;41 6.6;References;42 7;3 Tranquilizers and Sedatives;49 7.1;3.1 Phenothiazine Derivatives;49 7.1.1;3.1.1 Vibrational Analysis;50 7.1.2;3.1.2 Adsorption on the Silver Surface;58 7.1.3;3.1.3 Conclusions;67 7.2;3.2 Anthranil;68 7.2.1;3.2.1 Vibrational Analysis;69 7.2.2;3.2.2 Adsorption on the Silver Surface;71 7.2.3;3.2.3 Conclusions;78 7.3;References;78 8;4 Anti-Inflammatory Drugs;81 8.1;4.1 Diclofenac Sodium;81 8.1.1;4.1.1 Vibrational Analysis;83 8.1.2;4.1.2 Adsorption on the Silver Surface;89 8.1.3;4.1.3 Conclusions;94 8.2;4.2 Diclofenac Sodium - ß-Cyclodextrin Complex;95 8.2.1;4.2.1 Vibrational Analysis;95 8.2.2;4.2.2 Adsorption on the Silver Surface;102 8.2.3;4.2.3 Conclusions;105 8.3;References;106 9;5 Molecules with Antibacterial Properties;109 9.1;5.1 Potassium Benzylpenicillin;109 9.1.1;5.1.1 Vibrational Analysis;110 9.1.2;5.1.2 Adsorption on the Silver Surface;116 9.1.3;5.1.3 Conclusions;121 9.2;5.2 Trihydrate Amoxicillin;122 9.2.1;5.2.1 Vibrational Analysis;123 9.2.2;5.2.2 Adsorption on the Silver Surface;127 9.2.3;5.2.3 Conclusions;130 9.3;5.3 Rivanol;130 9.3.1;5.3.1 Vibrational Analysis;131 9.3.2;5.3.2 Adsorption on the Silver Surface;133 9.3.3;5.3.3 Conclusions;134 9.4;References;134 10;6 Vitamins;137 10.1;6.1 Vitamin B1;137 10.1.1;6.1.1 Vibrational Analysis;138 10.1.2;6.1.2 Adsorption on the Gold Surface;145 10.1.3;6.1.3 Conclusions;148 10.2;6.2 Vitamin PP;149 10.2.1;6.2.1 Adsorption on the Silver Surface;149 10.2.2;6.2.2 Conclusions;153 10.3;References;153 11;7 Other Molecules with Pharmacological Activity;155 11.1;7.1 2-Formylfuran Derivatives;155 11.1.1;7.1.1 2-Formylfuran;155 11.1.2;7.1.2 5-(4-Fluor-phenyl)-2-formylfuran and 5-( 4- Brom- phenyl)- 2- formylfuran;164 11.2;7.2 Quinoline Derivatives;175 11.2.1;7.2.1 Isoquinoline;175 11.2.2;7.2.2 Lepidine;181 11.3;7.3 9-Phenylacridine;188 11.3.1;7.3.1 Vibrational Analysis;188 11.3.2;7.3.2 Adsorption on the Silver Surface;191 11.3.3;7.3.3 Conclusions;194 11.4;References;194 12;8 New Developments in SERS- Active Substrates;199 12.1;References;214 13;9 Summary;219 14;Index;223
Baia, Monica
Astilean, Simion
Iliescu, Traian
| ISBN | 9783540782834 |
|---|---|
| Artikelnummer | 9783540782834 |
| Medientyp | E-Book - PDF |
| Copyrightjahr | 2008 |
| Verlag | Springer-Verlag |
| Umfang | 214 Seiten |
| Sprache | Englisch |
| Kopierschutz | Digitales Wasserzeichen |
