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If similar fragmentation data are found (similarity search), this substructure information can be used to generate candidate structures of the unknown compound (partial identification).
The absence of crystal structures for homologous proteins presented a challenge as standard modeling techniques could not be adopted to generate model structures of the unknown states.
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The ATR-FTIR analysis provides certain structural clues to the overall molecular structure of the unknown sample substances.
If n = 1 then the structure of the unknown compound is unambiguously determined and the total quantity of structural information I0 obtained as a result of the solution of the problem can be expressed as I0 = E0 = log2N.
It is shown that the filter recovers the geometric structure of the unknown input observer in the limit where the weighting on the nuisance fault transmission goes to infinity.
Correlation structure of the unknown peak motion intensities experienced by the affected structures and the known peak motions measured at the strong motion stations sites are utilized for this purpose.
This reverse strategy, illustrated in Figure 1b, searches the structure of the unknown protein (S) for matches to templates (ti) derived from all the proteins with known function.
Since protein folds are classified into superfamilies based on common functions and evolutionary relationships, it is likely that the PCAIN-based methodology enables handpicking of an optimal functionally-related template molecule for modeling the structure of the unknown protein, thus contributing significantly towards improving the accuracy of structure prediction.
LC-ESI-MS was performed to determine the structure of the unknown arsenical.
LC-MS and LC-MS/MS in the electrospray mode were performed to determine the structure of the unknown arsenical.
Thus, the structure of the unknown can be tentatively assigned as methyl 11-methyl-12-octadecenoate 11-methyl-12-octadecenoate 11-methyl-12-octadecenoate 11-methyl-12-octadecenoate
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