We enjoy making data interpretation more efficient and accurate where we can.

Our TREND software packages derive the main trends of change across series of NMR spectra or frames of MRI scans.

NMR. TREND NMR quickly finds and fits binding isotherms in all chemical exchange regimes (Xu and Van Doren, 2016 Anal. Chem; 2017 Biophys. J., 2018 Meth. Enzym.). This hastens and generalizes the analysis of titrations detected by 2D NMR spectra. A simple example is illustrated. (NSF MCB 0918389 supported the NMR applications.)

MRI. The TREND approach can separate cardiac motion from breathing motion (Xu and Van Doren, 2017, Biophysical J.). In the movie of the 4-chamber scan, the cardiac motion is in the left panel and the breathing motion in the right panel. We are working with Drs. Thomen and Altes in Radiology toward the vision of sick patients being able to breathe freely in cardiac MRI exams, shortening the exams significantly. See the story released by Voice of America. (The MU Coulter Translational Partnership currently supports the MRI applications.)

Publications cited:

Xu J, Van Doren SR. Binding Isotherms and Time Courses Readily from Magnetic Resonance. Anal Chem. 2016 Aug 16;88(16):8172-8. https://doi.org/10.1021/acs.analchem.6b01918

Xu J, Van Doren SR. Tracking Equilibrium and Nonequilibrium Shifts in Data with TREND. Biophys J. 2017 Jan 24;112(2):224-233. https://doi.org/10.1016/j.bpj.2016.12.018

Xu J, Van Doren SR. Affinities and Comparisons of Enzyme States by Principal Component Analysis of NMR Spectra, Automated using TREND Software. Methods Enzymol. 2018;607:217-240. https://doi.org/10.1016/bs.mie.2018.05.016