Linked Life Data

19496061

Source:http://linkedlifedata.com/resource/pubmed/id/19496061

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
8
pubmed:dateCreated
2009-7-8
pubmed:abstractText
Combined verification using 1-D proton and HSQC has been proved to be quite successful; the acquisition time of HSQC spectra, however, can be limiting in its high-throughput applications. The replacement with Hadamard HSQC can significantly enhance the throughput. We hereby propose a protocol to optimize the grouping of the predicted carbon chemical shifts from the proposed structure and the associated Hadamard frequencies and bandwidths. The resulting Hadamard HSQC spectra compare favorably with their Fourier-transformed counterparts, and have demonstrated to perform equivalently in terms of combined verification, but with several fold enhancement in throughput, as illustrated for 21 commercial available molecules and 16 prototypical drug compounds. Further improvement of the verification accuracy can be achieved by the cross validation from Hadamard TOCSY, which can be acquired without much sacrifice in throughput.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:status
MEDLINE
pubmed:month
Aug
pubmed:issn
1097-458X
pubmed:author
pubmed:issnType
Electronic
pubmed:volume
47
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
693-700
pubmed:meshHeading
pubmed:year
2009
pubmed:articleTitle
Application of Hadamard spectroscopy to automated structure verification in high-throughput NMR.
pubmed:affiliation
Pfizer Global Research & Development, 700 Chesterfield Parkway, St. Louis, MO 63017, USA.
pubmed:publicationType
Journal Article