Sentence examples for structural assignments from inspiring English sources

Using experimental COSY and 13C-HMBC correlation data the structure generator comes up with 100 structural assignments, which are reduced to one when the atom types are fixed as well.

In this work, H NMR data with molecular-level quantitative integrations are provided to support the structural assignments for the three major base dendron structures (dendrons 1, 2, and 5 in the original report) as well as the key linking step between two of the dendrons.

Previous IMS studies have shown that different degrees of solvation are attainable as a function of the IMS experimental conditions and can be used (i) to increase IMS separation (e.g., drift tube, high field, and differential IMS analyzers) and (ii) for structural assignments (e.g., determination of the solution state structures).

SST in a post-processing step merges consecutive structures where appropriate, and groups all strands of a sheet, identifies β-bulges, to convert the results to a molecular biologist's conventional secondary structure description, and produces a PyMol script to visualize the secondary structural assignments.

> -wrap-foot> To evaluate the consistency of SSTs secondary structural assignments on coordinates solved at different resolutions, we randomly selected 15 protein structures for which both the superseded low-resolution coordinates and the new high-resolution coordinates were available.

These data are included to allow readers to access data underlying the structural assignments given.

However, it has found little use in atomic-level protein structure determination due to the uncertainty of residue-level structural assignment.

For very complicated molecules, such as many natural products that occur in living organisms, even a complete set of spectra is insufficient to allow an unambiguous structural assignment.

The single structural assignment to Organic Chemical is retained.

However, specific isomer structural assignment is not obtained here.

1H-13C NMR correlations of products were studied for precise structural assignment.