Visit www.chemistry.jamesmungall.co.uk for notes on this topic. Thanks for watching! This video explains how integration tells you the number of hydrogen atoms each peak corresponds to. Discussion of how this can be useful in determining structure. Part of a set of videos giving an introductory course on proton NMR, aimed at around A-level or International Baccalaureate standard. Includes dicussion of integration, chemical shift and coupling.
From:jamesmungall
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[NMRpipe Yahoo group] Integration of Peaks using NMR Draw
Integration of Peaks using NMR Draw
Hello, Using scripts I have created my .ft2 file to visualize my 1D 13C data in nmrDraw. I would like to integrate the area for the carbonyl's and the spinning
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12-21-2011 04:59 PM
[NMR paper] Integration of XAS and NMR techniques for the structure determination of metalloprote
Integration of XAS and NMR techniques for the structure determination of metalloproteins. Examples from the study of copper transport proteins.
Related Articles Integration of XAS and NMR techniques for the structure determination of metalloproteins. Examples from the study of copper transport proteins.
J Synchrotron Radiat. 2005 Jan;12(Pt 1):94-7
Authors: Banci L, Bertini I, Mangani S
Nuclear magnetic resonance (NMR) is a powerful technique for protein structure determination in solution. However, when dealing with metalloproteins, NMR...
nmrlearner
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11-24-2010 10:03 PM
[NMR paper] Integration of NMR and high-throughput screening.
Integration of NMR and high-throughput screening.
Related Articles Integration of NMR and high-throughput screening.
Comb Chem High Throughput Screen. 2002 Dec;5(8):613-21
Authors: Hajduk PJ, Burns DJ
NMR-based screening has become a powerful method for the identification and analysis of low-molecular weight organic compounds that bind to protein targets and can be utilized in drug discovery programs. In particular, heteronuclear NMR-based screening can yield information about both the affinity and binding location of potential lead compounds....
nmrlearner
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11-24-2010 08:58 PM
[NMR paper] Automated peak picking and peak integration in macromolecular NMR spectra using AUTOP
Automated peak picking and peak integration in macromolecular NMR spectra using AUTOPSY.
Related Articles Automated peak picking and peak integration in macromolecular NMR spectra using AUTOPSY.
J Magn Reson. 1998 Dec;135(2):288-97
Authors: Koradi R, Billeter M, Engeli M, Güntert P, Wüthrich K
A new approach for automated peak picking of multidimensional protein NMR spectra with strong overlap is introduced, which makes use of the program AUTOPSY (automated peak picking for NMR spectroscopy). The main elements of this program are a novel...
nmrlearner
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11-17-2010 11:15 PM
CONNJUR - open source integration environment for biomolecular NMR data analysis
CONNJUR Project website
The CONNJUR Project is developing an open source integration environment for biomolecular NMR data analysis. CONNJUR software is a workflow generator, based on legacy NMR analysis applications, that is being developed as Open Source Software -- it is perpetually free for anyone to use, modify and distribute.
CONNJUR is developed by a community of NMR spectroscopists and scientific programmers who aim to create and maintain NMR analysis tools bounded by the goals of excellent end-product, free of charge, open source software using the...
markber
NMR software
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11-01-2010 07:45 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
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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...
2. NMR spectroscopy - Integration
Linear Mode
