Modern NMR approaches to the structure elucidation of natural products. Volume 1, Instrumentation and software / edited by Antony J. Williams, ChemConnector Inc. USA, Gary E. Martin, Merck Research Laboratories, USA and David Rovnyak, Bucknell University, USA.

Format:

Book

Author/Creator:

Antony Williams

Contributor:

Williams, Antony J., editor.

Martin, Gary E., editor.

Rovnyak, David, editor.

Language:

English

Subjects (All):

Nuclear magnetic resonance spectroscopy.

Physical Description:

1 online resource (344 p.)

Place of Publication:

Cambridge : Royal Society of Chemistry, [2016]

Summary:

The first volume in a two part set that discusses NMR analysis for the structure elucidation of natural products. It covers instrumentation for a contemporary laboratory and software.

Contents:

Cover; Contents; Part 1: Hardware; Chapter 1 New Directions in Natural Products NMR: What Can We Learn by Examining How the Discipline Has Evolved?; References; Chapter 2 NMR Magnets: A Historical Overview; 2.1 Introduction; 2.2 Field Strength and NMR Sensitivity and Resolution; 2.3 Magnetic Field Homogeneity; 2.4 Magnetic Field Stability; 2.5 Minimizing Stray Magnetic Fields; 2.6 Mitigating External Magnetic Field Disturbances; 2.7 Reducing the Physical Size and Weight; 2.8 Cryogen Conservation and Future Outlook; Acknowledgements; References

Chapter 3 Small-volume NMR: Microprobes and Cryoprobes3.1 Introduction; 3.2 Theoretical and Practical Aspects of Small-volume Probes; 3.3 Conventional Small-volume Probes; 3.4 Cryogenically Cooled Small-volume Probe; References; Chapter 4 Cryogenically Cooled NMR Probes: a Revolution for NMR Spectroscopy; 4.1 Introduction; 4.2 Historical Perspective; 4.3 Sensitivity Impact on Samples of Limited Supply; 4.4 Experimental Options Expand; 4.5 Magnetic Resonance Imaging; 4.6 Future Developments; 4.7 Conclusion; Acknowledgements; References

Chapter 5 Application of LC-NMR to the Study of Natural Products5.1 Introduction; 5.2 LC-NMR Technology; 5.2.1 On-flow LC-NMR; 5.2.2 Direct Stop-flow; 5.2.3 Loop Collection; 5.2.4 Post-column Solid-phase Extraction (LC-SPE-NMR); 5.2.5 Integration of Mass Spectrometric Detection of Peaks of Interest for LC-(SPE)-NMR; 5.2.6 Cryogenic Probes and Their Advantages for LC-(SPE)-NMR; 5.2.7 SPE-LC-SPE-NMR/MS; 5.3 Application Examples from Natural Product-related Samples; 5.3.1 Integration of Metabonomics Routines and LC-SPE-NMR/MS; 5.3.2 Example of the Total Analysis Concept SPE-LC-SPE-NMR/MS

5.4 ConclusionReferences; Chapter 6 Application of Non-uniform Sampling for Sensitivity Enhancement of Small-molecule Heteronuclear Correlation NMR Spectra; 6.1 Exponential Non-uniform Sampling and Sensitivity; 6.2 Signal Enhancement by Non-uniform Versus Uniform Sampling; 6.2.1 Signal Enhancement of an Exponentially Decaying Signal by NUS; 6.2.2 Evaluating NUS Weighting Functions; 6.2.3 Validation Using Linear Transforms; 6.3 Application of NUS Enhancement to 2D Heteronuclear Correlations; 6.4 Critique and Outlook; 6.5 Methods and Materials; Acknowledgements; References

Chapter 7 NMR Spectroscopy Using Several Parallel Receivers7.1 Introduction; 7.2 Multiple Receivers; 7.3 PANACEA; 7.3.1 Structure of Small Molecules; 7.3.2 Long-range Couplings; 7.3.3 Fast Measurements; 7.4 Biochemical Samples; 7.5 Conclusion; Acknowledgements; References; Part 2: Data Processing and Informatics; Chapter 8 1H-NMR Spectroscopy: The Method of Choice for the Dereplication of Natural Product Extracts; 8.1 Natural Product Chemistry; 8.2 Dereplication; 8.2.1 Concept and Definitions; 8.2.2 Why Dereplication is Necessary; 8.3 Approaches to Dereplication; 8.3.1 Time, Scale, Cost

8.3.2 Existing Methodologies

Notes:

Includes index.

Description based on online resource; title from PDF title page (ebrary, viewed January 25, 2016).

ISBN:

9781849735186

1849735182