Linked Life Data

19531297

Source:http://linkedlifedata.com/resource/pubmed/id/19531297

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
6
pubmed:dateCreated
2009-6-17
pubmed:abstractText
The use of a novel spectral interconversion scheme, principal component analysis (PCA) based spectral prediction, to probe weak molecular interactions of a polymer film is reported. A PCA model is built based on a joint data matrix by concatenating two related spectral data matrices (such as infrared (IR) and near-infrared (NIR) spectra) along the variable direction, then the obtained loading matrix of the model is split into two parts to predict the desired spectra. For a better PCA-based prediction, it is suggested that the samples whose spectra are to be predicted should be as similar as possible to those used in the model. Based on the PCA model, the thermal-induced changes in the weak interaction of poly(N-isopropylacrylamide) (PNiPA) film is revealed by the interconversion between selected spectral ranges measured between 40 and 220 degrees C. The thermal-induced weak interaction changes of PNiPA, expressed as either the band shift or intensity changes at a specific region, have been probed properly. Meanwhile, the robustness of the spectral prediction is also compared with that achieved by a partial least squares (PLS2) model in detail, illustrating its advantages in predicting more subtle structural changes such as C-H groups.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jun
pubmed:issn
0003-7028
pubmed:author
pubmed:issnType
Print
pubmed:volume
63
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
694-9
pubmed:meshHeading
pubmed:year
2009
pubmed:articleTitle
Principal component analysis based interconversion between infrared and near-infrared spectra for the study of thermal-induced weak interaction changes of poly(N-isopropylacrylamide).
pubmed:affiliation
State Key Lab for Supramolecular Structure and Material, Jilin University, No. 2699, Qianjin Street, Changchun, 130012 PR China.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't