Protocols for finding the most orthogonal dimensions for two-dimensional high performance liquid chromatography Bassanese, Danielle N., Holland, Brendan J., Conlan, Xavier A., Francis, Paul S., Barnett, Neil W. and Stevenson, Paul G. 2015, Protocols for finding the most orthogonal dimensions for two-dimensional high performance liquid chromatography, Talanta, vol. 134, pp. 402-408, doi: 10.1016/j.talanta.2014.11.037. Attached Files Name Description MIMEType Size Downloads Title Protocols for finding the most orthogonal dimensions for two-dimensional high performance liquid chromatography Author(s) Bassanese, Danielle N. orcid.org/0000-0001-6822-7963 Holland, Brendan J. Conlan, Xavier A. orcid.org/0000-0003-0829-0551 Francis, Paul S. orcid.org/0000-0003-4165-6922 Barnett, Neil W. Stevenson, Paul G. orcid.org/0000-0001-6780-6859 Journal name Talanta Volume number 134 Start page 402 End page 408 Total pages 7 Publisher Elsevier Place of publication Amsterdam, The Netherlands Publication date 2015 ISSN 1873-3573 Keyword(s) Bins method HPLC simulation Orthogonality Potassium permanganate chemiluminescence Stationary phase optimisation Two-dimensional high performance liquid chromatography Chemiluminescence Chromatography Potassium permanganate Two-dimensional high performance liquid Science & Technology Physical Sciences Chemistry, Analytical Chemistry HYDROPHOBIC-SUBTRACTION MODEL IN-SITU MODIFICATION PEAK-CAPACITY STATIONARY PHASES MOBILE-PHASE SELECTIVITY SEPARATIONS CLASSIFICATION OPTIMIZATION COLUMNS Summary The selection of two high performance liquid chromatography (HPLC) columns with vastly different retention mechanisms is vital for performing effective two-dimensional (2D-) HPLC. This paper reports on a systematic method to select a pair of HPLC columns that provide the most different separations for a given sample. This was completed with the aid of a HPLC simulator that predicted retention profiles on the basis of real experimental data, which is difficult when the contents of sample matrices are largely-or completely-unknown. Peaks from the same compounds must first be matched between chromatograms to compare the retention profiles and optimised 2D-HPLC column selection. In this work, two methods of matching peaks between chromatograms were explored and an optimal pair of chromatography columns was selected for 2D-HPLC. First, a series of 17 antioxidants were selected as an analogue for a coffee extract. The predicted orthogonality of the standards was 39%, according to the fractional surface coverage 'bins' method, which was close to the actual space utilisation of the standard mixture, 44%. Moreover, the orthogonality for the 2D-HPLC of coffee matched the predicted value of 38%. The second method employed a complex sample matrix of urine to optimise the column selections. Seven peaks were confidently matched between chromatograms by comparing relative peak areas of two detection strategies: UV absorbance and potassium permanganate chemiluminescence. It was found that the optimal combinations had an orthogonality of 35% while the actual value was closer to 30%. Language eng DOI 10.1016/j.talanta.2014.11.037 Field of Research 030108 Separation Science Socio Economic Objective 970103 Expanding Knowledge in the Chemical Sciences HERDC Research category C1 Refereed article in a scholarly journal Grant ID DP140100439 Copyright notice ©2015, Elsevier Persistent URL http://hdl.handle.net/10536/DRO/DU:30074738 Document type: Journal Article Collections: Faculty of Science, Engineering and Built Environment School of Life and Environmental Sciences Related Links Link Description Connect to Elements publication management system Go to link with your DU access privileges   Connect to published version Go to link with your DU access privileges   Author URL Go to link with your DU access privileges     Unless expressly stated otherwise, the copyright for items in DRO is owned by the author, with all rights reserved. Versions Version Filter Type Wed, 29 Jul 2015, 09:34:19 EST Thu, 30 Jul 2015, 05:00:43 EST Thu, 30 Jul 2015, 08:16:09 EST Tue, 25 Aug 2015, 06:08:24 EST Mon, 02 Nov 2015, 09:27:24 EST Mon, 02 Nov 2015, 12:05:56 EST Filtered Full Citation counts:   Cited 17 times in TR Web of Science Cited 16 times in Scopus Search Google Scholar Access Statistics: 698 Abstract Views, 3 File Downloads  -  Detailed Statistics Created: Wed, 29 Jul 2015, 09:34:19 EST