Nuclear magnetic resonance: volume 45

326 Pages·2016·9.066 MB·English

by  Ashbrook, Sharon E., Ramesh, Vasudevan

Nuclear Magnetic Resonance
Volume 45
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A Specialist Periodical Report
Nuclear Magnetic Resonance
Volume 45
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3- Editor
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4 Vasudevan Ramesh, University of Manchester, UK
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1 Authors
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9 Sharon E. Ashbrook, University of St Andrews, UK
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03 Claude Berthon, CEA, Bagnols sur Ce´ze, France
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0. Melanie M. Britton, University of Birmingham, UK
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oi: Daniel M. Dawson, University of St Andrews, UK
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g | Rainer Ebel, University of Aberdeen, UK
c.or Maria Victoria Silva Elipe, Attribute Sciences, Amgen, Inc., CA, USA
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s.r Ian Farnan, University of Cambridge, UK
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pu Hidekazu Hiroaki, Nagoya University, Japan
p:// Dharamdeep Jain, The University of Akron, OH, USA
n htt Jia Kang, The University of Akron, OH, USA
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6 Toshikazu Miyoshi, The University of Akron, OH, USA
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20 Mostafa E. Rateb, University of Aberdeen; University of West of Scotland,
pril Paisley, UK; and Beni-Suef University, Egypt
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0 Apostolos Spyros, University of Crete, Voytes, Greece
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n Agnieszka Szczygiel, AkzoNobel, Slough, UK
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ed Jioji Tabudravu, University of Aberdeen, UK
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blis Shijun Wang, The University of Akron, OH, USA
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39/ Print ISBN: 978-1-78262-053-2
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g | d ISSN: 0305-9804
or DOI: 10.1039/9781782624103
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ub A catalogue record for this book is available from the British Library
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htt r The Royal Society of Chemistry 2016
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01 All rights reserved
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A Apart from fair dealing for the purposes of research for non-commercial
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n 2 purposes or for private study, criticism or review, as permitted under the
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d Copyright, Designs and Patents Act 1988 and the Copyright and Related
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sh Rights Regulations 2003, this publication may not be reproduced, stored or
ubli transmitted, in any form or by any means, without the prior permission in
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writing of The Royal Society of Chemistry, or in the case of reproduction
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Enquiries concerning reproduction outside the terms stated here should
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Published by The Royal Society of Chemistry,
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Registered Charity Number 207890
For further information see our web site at www.rsc.org
Printed and bound in Great Britain by CPI Group (UK) Ltd,
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Preface
DOI: 10.1039/9781782624103-FP005
In view of the rapid advancements witnessed in recent years on the
application of NMR in industrial sectors, we felt that it was timely to
bringoutthecurrentVolume45oftheSPRNuclearMagneticResonance
05 series devoted to topics of relevance to industry. These advancements
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FP have been to a large measure fuelled by all round technological devel-
03- opments in NMR instrumentation such as ultra-highfield NMR magnet
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24 technology, wide range of cryo-probe configurations for various indus-
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82 trial applications, innovative solid and liquid state NMR methods and
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81 not least increased access to such instrumentation. Thus, areas such as
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9/9 minerals, nuclear, polymer, agriculture, pharmaceuticals, dyes and
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0 chemicals,foodanalysis,solardyecellsetc.havebeenwitnesstoexciting
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10. new NMR investigations.
doi: We are very grateful to the international group of expert authors who
g | gave enthusiastic responses and readily agreed to contribute a review
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c. chapter each to this special volume. The nine chapters of the volume
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http://p NauMthRortsechhanveiqturieesdftoorlimvairtiothuesirprreavciteiwcaolvaeprpthliecaptieorniosdionf2in01d0u–s2tr0y1.5Tbhuet
n in some subject areas the review goes back to 2005. It is hoped this
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16 volume will serve NMR practitioners from academia and industry
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Nucl.Magn.Reson.,2016,45,v–v | v
(cid:2)c TheRoyalSocietyofChemistry2016
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CONTENTS
Cover
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p:// Preface v
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pril NMR spectroscopy of minerals and allied materials 1
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2 Sharon E. Ashbrook and Daniel M. Dawson
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4 Allied materials 39
References 40
Application of NMR in polymer characterization 53
Shijun Wang, Jia Kang, Dharamdeep Jain and Toshikazu Miyoshi
1 Introduction 53
2 Chain packing and conformation of synthetic polymers 54
3 Chain trajectory of semicrystalline polymer 61
4 Molecular dynamics of synthetic polymers 65
5 Chemical reaction and decompositions of synthetic 72
polymers
6 Deformation of synthetic polymers 74
7 Energy materials 79
8 Supramolecular polymers 83
Nucl.Magn.Reson.,2016,45,vii–x | vii
(cid:2)c TheRoyalSocietyofChemistry2016
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9 Natural polymers 87
10 Conclusion 91
Acknowledgements 91
References 92
Applications of NMR in nuclear chemistry 96
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00 Ian Farnan and Claude Berthon
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24 2 Direct observation of actinide elements by NMR 97
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oi: NMR of paints, inks and coatings 142
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n htt 4 Conclusions 161
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2 Applications of magnetic resonance imaging to probe chemistry 164
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2 Heterogeneous chemical reactions 172
3 Chemistry in flow 176
4 Rheology of complex fluids 184
References 187
Application of hyphenated NMR in industry 190
Maria Victoria Silva Elipe
1 Introduction 190
2 Applications of LC-NMR 192
3 Applications of NMR hyphenated with other analytical 196
techniques
4 Applications of NMR hyphenated to reactors 203
5 Conclusions and future trends 213
References 214
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Application of NMR in drug discovery 217
Hidekazu Hiroaki
1 Introduction 217
2 Advances in protein-based NMR-assisted 221
drug discovery
3 Advances in ligand-based NMR-screening 225
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bs.r 3 Dereplication strategies for pinpointing unknown 242
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10 Computer-aided structure elucidation (CASE) 253
11 Selected case studies 254
12 Summary 264
Acknowledgements 264
References 264
Application of NMR in food analysis 269
Apostolos Spyros
1 Introduction 269
2 Alcoholic beverages 269
3 Non alcoholic beverages 275
4 Vegetable oils 278
5 Fruits & vegetables 283
6 Honey 286
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7 Milk 288
8 Cheese & yoghurt 289
9 Meat 290
10 Conclusions and future trends 293
Table Index 294
References 295
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x | Nucl.Magn.Reson.,2016,45,vii–x