When I started playing drums, so many years ago, I kept hearing about so-called "Drum Rudiments". By that time, I was too young to realize how important they were and to me, they appear just as boring and repetitive exercises. However, rudiments (basic building blocks or "vocabulary" of drumming) are absolutely essential to master drums (something I have to admit I never achieved :-) )
In the last few years I’ve had the opportunity to meet and interact with many chemists who are using our NMR software. Some of them are NMR specialists with an outstanding knowledge from whom I have learnt a lot. On the other hand, other chemists use NMR on daily basis simply to confirm the structure(s) they have just synthesized but do not have a deep grasp of the inner details of NMR theory and signal data processing. Whilst I understand that in general this is fine, I have noticed recently that many of these less-experienced NMR scientists are now getting involved in more advanced NMR studies and, in my humble opinion, the lack of some important rudiments can lead to an improper interpretation of the NMR data.
One interesting example is quantitative NMR (qNMR), a field which is being used increasingly in the pharmaceutical industry, for instance, to quantify impurity levels, but it’s also very important in the field of natural products (see for example J. Nat. Prod. 2007, 70, 589-595) and for the calibration of other quantitative techniques such as HPLC. Typically, qNMR is based on obtaining quantitative information through integral-based calculations so in principle, it might seem as this is something trivial which does not require any additional effort. Whilst this is generally true, there are some very important rudiments which I think are worth pointing out.
The rudiments I will present in this series of articles will range from basic concepts on NMR Integration to more advanced deconvolution techniques, including our newly developed Global Spectral Deconvolution algorithm, GSD.
So if you have any interest in qNMR, watch this space. I promise to post these qNMR rudiments on a regular basis.
[NMR images] Basis of NMR
http://chem.ch.huji.ac.il/nmr/whatisnmr/whatisnmr_files/basisnmr.gif
chem.ch.huji.ac.il
28/06/2011 4:41:43 PM GMT
Basis of NMR
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nmrlearner
NMR pictures
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07-30-2011 11:50 AM
[NMR images] The basis of NMR spectroscopy
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motifolio.com
1/02/2011 6:41:12 PM GMT
The basis of NMR spectroscopy
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nmrlearner
NMR pictures
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02-01-2011 06:40 PM
[NMR analysis blog] Basis on qNMR: Integration Rudiments (Part II)
Basis on qNMR: Integration Rudiments (Part II)
My last post was a basic survey on different measurement strategies for peak areas. Manual methods such as counting squares or cutting and weighing, known as ‘boundary methods’ were introduced for historical reasons. These methods were first used by engineers, cartographers, etc, end then quickly adopted by spectroscopists and chromatographers.
In the digital era, most common peak area measurement involves the calculation of the running sum of all points within the peak(s) boundaries or by other quadrature method (e.g. Trapezoid, Simpson,...
nmrlearner
News from NMR blogs
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08-21-2010 09:12 PM
[NMR analysis blog] Basis on qNMR: Integration Rudiments (Part I)
Basis on qNMR: Integration Rudiments (Part I)
First a quick recap. In my last post I put forward the idea that integration of NMR peaks is the basis of quantitative analysis. Before going any further, I would like to mention that, alternatively, peak heights can also be used for quantitation, but unless some special pre-processing is employed (see for example P. A. Haysa, R. A. Thompson, Magn. Reson. Chem., 2009, 47, 819 – 824, doi) measurement of peak areas is generally the recommended method for qNMR assays.
In this post I will cover some very basic rudiments of NMR peak areas...
nmrlearner
News from NMR blogs
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08-21-2010 09:12 PM
[NMR analysis blog] Basis on qNMR: Intramolecular vs Mixtures qNMR
Basis on qNMR: Intramolecular vs Mixtures qNMR
A bit of historical background
NMR has won its reputation as a powerful tool for structure determination of organic molecules. In addition to the information provided by chemical shifts and coupling constants, the quantitative relationships existing between the peaks (or groups of peaks - multiplets) arising from the various nuclides in the sample has proven pivotal for the assignment and interpretation of NMR spectra.
Despite the fact that the concept of quantitative NMR (qNMR) has been coupled to NMR since the early 1950, shortly...
Basis on qNMR: Rudiments
Linear Mode
