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CIERMag
 

Research

NMR Analytical Methods

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Sep 01, 2014

Suite of methods for an Analytical Nuclear Magnetic Resonance system based on a house built digital spectrometer

In an NMR spectrometer, a combination of all gradient pulses, RF pulses and signal acquisition window form the pulse sequence. The time between pulses and the number of repetitions of the sequence varies depending on the experimental parameters whether pulsed spectroscopy or image (image resolution, contrast, signal to noise ratio, number of slices, etc.) and as a whole describes protocols of acquisition, execution and processing. The assembly ordered the data acquired by the application of pulse sequence form the space-K, or the set of information associated with the spectral dimensionality, which after applied the Fourier transforms in two (or three) dimensions form the image or treatment equivalently the multispectral information (1D, 2D, 3D, etc.). The process described above, since the pulse sequence until the formation of the image or spectrum is called the NMR method. In the case of a calibration method, instead of the spectrum reconstruction, calculations are made and the system for later define the next acquisition set. This project will develop a set of methods for generating spectral information (analytical system) and calibration services and maintenance, and later pictures, which will be incorporated into the NMR Digital Spectrometer developed in the CIERMag. The initial approach will be the familiarization and exploration of the methods most commonly used by the community of chemists, physicists and other scientists using NMR technique as an analytical tool. The subsequent step is to understand the proceedings of these methods according to the Digital Spectrometer, the Integrated Development Environment platform and accessories, and the programming language "F" and its properties of their compiler in addition to graphical templates to establish values ​​of system parameters and unique methods. The ​​data validation scripts will be generated in Python language . Finally, we will develop scripts for processing the acquired data, and the respective display protocol,  using modules already developed  which  are part of the processing subsystem console operator. This constitutes the tools we call suite of Analytical Methods, which will define this operation mode of our system. Concomitant with these approaches described above, will be developed a GUI application of conventional NMR metabolomics methods applied to liquids. In sequence, we intended to develop and apply the statistical methods to assess samples from complex matrices in order to find and/or monitoring biomarkers or  molecules of economic interest without the need for isolation by chromatography classical methods.