Overview
- Nominated as an outstanding Ph. D. thesis by the Technical University of Denmark
- Expands the structural knowledge of organic and natural compounds using NMR spectroscopy
- Outlines novel NMR experimental methods to determine the stereochemistry and 3D structural space of potential anti-cancer agents in solution
Part of the book series: Springer Theses (Springer Theses)
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Table of contents (9 chapters)
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Front Matter
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Back Matter
Keywords
About this book
This book explores how nuclear magnetic resonance (NMR) spectroscopy may be used for spatial structural elucidation of novel compounds from fungal and synthetic sources. Readers will discover the exciting world of NOE (nuclear Overhauser effect), RDC (residual dipolar coupling) and J-coupling constants, both short- and long range. With emphasis on obtaining structural knowledge from these NMR observables, focus is moved from solving a static 3D structure to solving the structural space inhabited by small organic molecules.
The book outlines the development and implementation of two Heteronuclear Multiple Bond Correlation-type NMR experiments, and the 3D structural elucidation of multiple known and novel compounds. In addition, a new method of back-calculating RDCs (allowing for more flexible structures to be investigated), and the synthesis and evaluation of novel chiral alignment media for ab initio determination of absolute stereochemistry of small molecules using RDCs are also included. Challenges that 3D structural generation of small compounds face are also covered in this work.Authors and Affiliations
Bibliographic Information
Book Title: Solving a 3D Structural Puzzle
Authors: Casper Rønn Hoeck
Series Title: Springer Theses
DOI: https://doi.org/10.1007/978-3-319-96172-9
Publisher: Springer Cham
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: Springer Nature Switzerland AG 2018
Hardcover ISBN: 978-3-319-96171-2Published: 13 November 2018
eBook ISBN: 978-3-319-96172-9Published: 03 November 2018
Series ISSN: 2190-5053
Series E-ISSN: 2190-5061
Edition Number: 1
Number of Pages: XLI, 238
Number of Illustrations: 93 b/w illustrations, 74 illustrations in colour
Topics: Spectroscopy/Spectrometry, Spectroscopy and Microscopy, Theoretical and Computational Chemistry, Medicinal Chemistry