Bayesil is a web system that automatically identifies and quantifiesmetabolites using 1D 1H NMR spectra of ultra-filtered plasma, serum or cerebrospinalfluid. The NMR spectra must be collected in a standardized fashion (seeHow To Collect NMR Spectra for Bayesil)for Bayesil to perform optimally. Bayesil first performs all spectralprocessing steps, including Fourier transformation, phasing, solventfiltering, chemical shift referencing, baseline correction and referenceline shape convolution automatically. It then deconvolutes the resultingNMR spectrum using a reference spectral library, which here contains thesignatures of more than 60 metabolites (seehere for a list). Thisdeconvolution process determines both the identity and quantity of thecompounds in the biofluid mixture. Extensive testing shows that Bayesilmeets or exceeds the performance of highly trained human experts.
Don’t forget to download the free demo software for your homework! Many of our users have asked for options to get away from the command line interface in NUTS. We recently updated our NUTS program to include pull down menus. Anasazi welcomes your feedback. Click on the NMR Nuts icon. This will download a small file cpub-nuts-NutsNMRResear-CmsRdsh.rdp, which should appear in Google Chrome's download tray. Single-click the cpub-nuts-NutsNMRResear-CmsRdsh.rdp file from the download tray. In the sign-in screen that comes up, enter your NetID@kiewit.dartmouth.edu and your NetID password.
Citing Bayesil:
In this section are: Blood orange coastal grooves zip.
1D and 2D NMR codeine data files in NUTS format, both FIDs and spectra
A sample report using codeine to illustrate a typical report for structure confirmation
NUTS documentation, including an extensive pdf manual, and an introductory PowerPoint tutorial
NUTS self-extracting Zip file – this is for licensed users, and will require your password to unzip. Updated 3/6/17. There is also a demo – just download and unzip.
Molecular Weight calculator for Win and Mac – free, handy utility
wxNUTS for Win and Mac – This is a re-written NMR processing application. It is similar to the original Windows NUTS program, but in less finished form, and has some improved features. If you are not a licensed user, it will function as a demo.