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Solving a 3D Structural Puzzle: Springer Theses

Autor Casper Rønn Hoeck
en Limba Engleză Hardback – 13 noi 2018
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.
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Specificații

ISBN-13: 9783319961712
ISBN-10: 3319961713
Pagini: 268
Ilustrații: XLI, 238 p. 167 illus., 74 illus. in color.
Dimensiuni: 155 x 235 mm
Greutate: 0.57 kg
Ediția:1st ed. 2018
Editura: Springer International Publishing
Colecția Springer
Seria Springer Theses

Locul publicării:Cham, Switzerland

Cuprins

NMR spectroscopy: Past to present.- Theory – 3D structural information from NMR, part 1.- Application of NOEs and 3JHH-couplings in 3D structure determination.- Development of NMR experiments for determination of long-range J-coupling constants.- Theory – 3D structural information from NMR, part 2.- Determination of long-range residual dipolar coupling constants.- Chiral alignment media for enantiodiscrimination.- Tensor free RDC calculations.- Overall perspective and conclusions.


Textul de pe ultima copertă

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.

Caracteristici

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