IBR   13079
INSTITUTO DE BIOLOGIA MOLECULAR Y CELULAR DE ROSARIO
Unidad Ejecutora - UE
congresos y reuniones científicas
Título:
“MIXTURES”, A program for the simple analysis of mixtures by NMR: application to metabolomic data from studies of tomato ripening
Autor/es:
LUCIANO A. ABRIATA, AUGUSTO SORREQUIETA AND ESTELA VALLE
Lugar:
ANGRA DOS REIS, RJ, BRAZIL
Reunión:
Simposio; 12TH NUCLEAR MAGNETIC RESONANCE USERS MEETING 3rd IBEROAMERICAN NMR MEETING; 2009
Resumen:
.O {font-size:149%;} <!--.sld {left:0px !important; width:6.0in !important; height:4.15in !important; font-size:103% !important;} --> Similar to genomics and proteomics which yield vast amounts of data about the expression of genes and proteins, metabolomics refers to the whole metabolic profile cells and tissues. NMR spectroscopy has been used for a long time to analyze complex mixtures in the areas of organic and analytical chemistry, and has recently emerged as a key tool for monitoring metabolic processes in living systems and for the analysis of complex biofluids.1-3 The ease required for sample preparation plus the possibility of studying several compounds in a single, fast experiment, make this technique ideal for high-throughput studies.1-3       Metabolomic NMR data usually consists of spectra recorded over time, or on samples coming from different treatments. There are two ways in which this data can be analyzed quantitatively (Fig. 1). The more general approach is aimed to process several spectra at a time in order to find similarities and differences among them, usually by the application of chemometric techniques like Principal Components Analysis. The second way to analyze metabolomic NMR data is to assign peaks of interesting compounds, calculate their absolute or relative concentrations, and then compare these concentrations along a series of samples. .O {font-size:149%;} <!--.sld {left:0px !important; width:6.0in !important; height:4.15in !important; font-size:103% !important;} --> We have developed a computer program called “MIXTURES” that performs both types of analyses in a windows-based interface, requiring minimum knowledge about the maths involved in the statistical procedures, signal fitting, integration and spectrum display by the operator. The program runs in MS Windows™ operating systems and bears all the features of standard Windows™ programs, providing a simple, friendly interface with no command lines. Its application to the study of tomato ripening is shown.