Toward Diagnosis of Diabetes by NMR and Mulitvariate Analysis: Study of 1H NMR Spectra of Human Serum in an Integrated Working Environment
Poster Nov 01, 2006
Chen Peng, Omoshile Clement, Gregory Banik, Scott Ramos, Tao Wang, and Bin Xia
Data analysis is one of the key steps involved in any metabolomics studies, and processing of NMR data is especially tedious and timeconsuming since it involves multiple steps to transform and correct the data starting from the raw FIDs. In order to improve the efficiency of NMR-based metabolomics studies, we have developed KnowItAll® Informatics System, Metabolomics Edition as a consistent and integrated software environment that covers the entire process from processing raw NMR data —to multivariate analysis—to biomarker identification. Using two datasets of 1H NMR spectra of mouse urine and human serum, we demonstrate the high efficiency of this integrated workflow for metabolomics data analysis.
Exploiting Polypharmacology in Precision Oncology: Identification of Differential Kinase Off-targets Among Clinical PARP InhibitorsPoster
Can we use computational methods to identify previously unknown off-targets of PARP inhibitors that can explain their observed differences?READ MORE
LC-SWATH/MS Metabolomics Platform with Hyphenation of Extraction for the Analysis of Polar and Non-polar Metabolites in Biological SamplesPoster
Automated robotic sample preparation with hyphenated dual LC-SWATH/MS analysis for lipids and polar metabolites.
Characterization of Heavily Contaminated Sites using NMR SpectroscopyPoster
NMR spectroscopy provides a unique analytical approach to present a more complete an unbiased understanding of the composition of NAPLs at many contaminated sites.READ MORE