Improved 2D‐HPLC of red wine by incorporating pre‐process signal‐smoothing algorithms

Stevenson, Paul G., Bassanese, Danielle N., Barnett, Neil W. and Conlan, Xavier A 2013, Improved 2D‐HPLC of red wine by incorporating pre‐process signal‐smoothing algorithms, Journal of separation sciences, vol. 36, no. 21-22, pp. 3503-3510, doi: 10.1002/jssc.201300616.

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Title Improved 2D‐HPLC of red wine by incorporating pre‐process signal‐smoothing algorithms
Author(s) Stevenson, Paul G.ORCID iD for Stevenson, Paul G.
Bassanese, Danielle N.ORCID iD for Bassanese, Danielle N.
Barnett, Neil W.
Conlan, Xavier AORCID iD for Conlan, Xavier A
Journal name Journal of separation sciences
Volume number 36
Issue number 21-22
Start page 3503
End page 3510
Total pages 8
Publisher Wiley-Blackwell
Place of publication Chichester, England
Publication date 2013-11
ISSN 1615-9306
Keyword(s) data analysis
data smoothing
hydrophilic interaction chromatography
porous graphitic carbon
Summary Twomultidimensional HPLC separations of an Australian red wine are presented, >70% of the available separation space was used. A porous graphitic carbon (PGC) stationary phase was used as the first dimension in both separations with both RP core–shell and hydrophilic interaction chromatography fully porous columns used separately in the second dimension. To overcome peak analysis problems caused by signal noise and low detection limits, the data were pre-processed with penalised least-squares smoothing. The PGC × RP combination separated 85 peaks with a spreading angle of 71 and the PGC × hydrophilic interaction chromatography separated 207 peaks with a spreading angle of 80. Both 2D-HPLC steps were completed in 76 min using a comprehensive stop-and-go approach. A smoothing step was added to peak-picking processes and was able to greatly reduce the number of false peaks present due to noise in the chromatograms. The required thresholds were not able to ignore the noise because of the small magnitude of the peaks; 1874 peaks were located in the non-smoothed PGC × RP separation that reduced to 227 peaks after smoothing was included.
Language eng
DOI 10.1002/jssc.201300616
Field of Research 030106 Quality Assurance, Chemometrics, Traceability and Metrological Chemistry
030108 Separation Science
Socio Economic Objective 970103 Expanding Knowledge in the Chemical Sciences
HERDC Research category C1 Refereed article in a scholarly journal
Copyright notice ©2013, Wiley-Blackwell Publishing
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Created: Fri, 17 Jan 2014, 13:19:33 EST by Paul Stevenson

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