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Titlebook: Solving a 3D Structural Puzzle; Casper Rønn Hoeck Book 2018 Springer Nature Switzerland AG 2018 NMR.Nuclear Overhauser Effect.Residual Dip

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发表于 2025-3-21 16:25:51 | 显示全部楼层 |阅读模式
书目名称Solving a 3D Structural Puzzle
编辑Casper Rønn Hoeck
视频video
概述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 experimenta
丛书名称Springer Theses
图书封面Titlebook: Solving a 3D Structural Puzzle;  Casper Rønn Hoeck Book 2018 Springer Nature Switzerland AG 2018 NMR.Nuclear Overhauser Effect.Residual Dip
描述.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..
出版日期Book 2018
关键词NMR; Nuclear Overhauser Effect; Residual Dipolar Coupling; J-coupling Constants; Long Range Coupling Con
版次1
doihttps://doi.org/10.1007/978-3-319-96172-9
isbn_ebook978-3-319-96172-9Series ISSN 2190-5053 Series E-ISSN 2190-5061
issn_series 2190-5053
copyrightSpringer Nature Switzerland AG 2018
The information of publication is updating

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2190-5053 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..978-3-319-96172-9Series ISSN 2190-5053 Series E-ISSN 2190-5061
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,Theory—3D Structural Information from NMR, Part 1,cidations and calculations of 3D structures, namely nuclear Overhauser effect correlations (NOEs) (dipolar relaxation, through space) and J-coupling constants (indirect dipole-dipole couplings, through bonds).
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Determination of Long-Range Residual Dipolar Coupling Constants,es. To be able to do this is especially important for small molecules, due to an inherent lack of short-range internuclear vectors to include in calculations. The S. HMBC experiment is  used to extract the RDCs.
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2190-5053 pounds using NMR spectroscopy.Outlines novel NMR experimenta.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 e
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