|
Peter Bigler. VCH: New York, 1997. 249 pp. ISBN
3-527-28812-0. $99.00.
This book, part of a four-volume series planned to
deal with all aspects of a standard NMR experiment, is
almost the exact book I have been hoping to find. My
department has acquired, as have hundreds of other undergraduate
institutions, high-field NMR instrumentation and the
capability of doing extremely sophisticated experiments. However,
the training is often a one- or two-day experience in which
the material retained by the faculty trained is garbled and
filled with holes, not unlike the information our students seem
to retain. This text, and the accompanying exercises based
on data contained on a CD-ROM, goes a long way to fill in
the gaps and clarify misunderstandings about NMR processing.
The text uses the Windows-based program
WIN-NMR, a Bruker software product, to demonstrate processing 1-
and 2-D spectra. The program and NMR data sets are
contained on a CD-ROM and require an IBM-compatible 386,
486 or Pentium class PC with a minimum of 4 MB RAM. A
hard disk with at least 100 MB spare capacity is recommended.
I was initially skeptical about the value of the approach
because I am only familiar with Varian software and am a Mac
user; but I found the Windows-based program almost as easy
to use as a Mac program. More importantly, although the
WIN-NMR software uses very different commands from
Varian software, the philosophy of the approach was so
transparent as to make it reasonably straightforward to take what
was learned via WIN-NMR and apply it in a Varian setting.
The book begins with a section that describes the
various types of NMR experiments, including the
phase-sensitive double quantum filtered COSY, TOCSY (total
correlation spectroscopy), and ROESY (rotating frame Overhouser
effect spectroscopy) experiments. The descriptions are
enhanced editorial comments that contrast the various experiments,
suggesting the situations in which each is most appropriate.
The remainder of the book is a set of exercises using data on per-
acetylated b-D-glucose from a wide variety of NMR
experiments. The reader is led through simple commands on
already processed FIDs through sophisticated processing of 1-
and 2D data sets.
The real advantage of the exercises lies in two areas.
First, the authors give nuts and bolts suggestions on
processing strategies that are far more helpful than I have found in
any other reference. Second, the processing and display is
done on good data sets. When one is unable to extract
information from one's own experiments, it is difficult to
determine whether the fault is in the processing or in the data
itself. These data are good, so one area of ambiguity is removed.
In addition, all data sets contain both the FID and a data
set that is already Fourier transformed and phased. Thus you
can see what the data should reveal and have a standard
against which to compare your own attempts. My only real
complaint with the text was the authors' tendency to instruct
the reader to explore processing variations until the result
looks good. For a novice, the ability to discern good is pretty poor.
The authors led me through processing and
displaying phase-sensitive data sets like phase-sensitive COSY, as well
as ROESY and NOESY experiments. Phase-sensitive
experiments are particularly difficult to process because some of the
peaks are supposed to be inverted. Because I now have a sense
of what the experiment is supposed to give, I have much
more confidence in my ability to extract that information from
my own experiments. The last section on advanced
processing techniques, from weighting the FID to linear
prediction, suggests that data sets I have thrown away because I felt
that they were irrevocably flawed might have been
salvageable. This is particularly crucial for my research, which
involves NMR studies on unstable dications made from
compounds that may have taken an undergraduate student weeks to
make. If I can salvage some of the data, I have saved myself and
my student a great deal of effort.
I initially assumed that the appropriate audience for
this book was the owner of a Bruker NMR spectrometer.
However, as indicated in the beginning, the information
appears transferable to a variety of spectrometers and I now feel
that anyone who owns a high-field NMR spectrometer and
who wants to exploit its full power should own this book.
The learning curve for the processing of data from
sophisticated NMR experiments is very steep. This book goes a long
way toward giving the practical information needed to
effectively use the data that the spectrometer can provide with such ease.
|