We announce new software for reaction monitoring, based on CS module from mddnmr!
The technique of time-resolved non-uniform sampling (TR-NUS) makes it possible to use standard multidimensional pulse sequences for process and reaction monitoring. It preserves the temporal resolution close to that achievable in 1D experiments.
TReNDS (Time-Resolved N-Dimensional Spectroscopy) is a free, user-friendly software kit for acquisition and processing of TR-NUS data. The program works on Bruker, Agilent and Magritek spectrometers, making it possible to carry out up to four experiments with an interleaved TR-NUS. It can be also used on data stations for spectral processing and data visualization.
The concept of TR-NUS has been described in several papers (see Literature). In brief, the idea is to acquire NUS data in parallel to a certain process occurring in the sample and affecting the spectrum. The data is divided into subsets, each processed with NUS reconstruction algorithm (here iterative soft thresholding, IST or iteratively re-weighted least squares, IRLS). As a result, one obtains a stack of spectra constituting a ``temporal pseudo-dimension'', that corresponds to the reaction progress. In other words, e.g. 2D HSQC is turned into 3D HSQC-movie.