Blind column selection protocol for two-dimensional high performance liquid chromatography

Burns, Niki K., Andrighetto, Luke Matthew, Conlan, Xavier, Purcell, Stuart D., Barnett, Neil, Denning, Jacqueline, Francis, Paul and Stevenson, Paul 2016, Blind column selection protocol for two-dimensional high performance liquid chromatography, Talanta, vol. 154, no. 1, pp. 85-91, doi: 10.1016/j.talanta.2016.03.056.

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Title Blind column selection protocol for two-dimensional high performance liquid chromatography
Author(s) Burns, Niki K.
Andrighetto, Luke Matthew
Conlan, XavierORCID iD for Conlan, Xavier
Purcell, Stuart D.
Barnett, Neil
Denning, Jacqueline
Francis, PaulORCID iD for Francis, Paul
Stevenson, PaulORCID iD for Stevenson, Paul
Journal name Talanta
Volume number 154
Issue number 1
Start page 85
End page 91
Total pages 7
Publisher Elsevier
Place of publication Amsterdam, The Netherlands
Publication date 2016-07-01
ISSN 1873-3573
Keyword(s) Electrospray mass spectrometry
Multidimensional high performance liquid chromatography
Plant extracts
Science & Technology
Physical Sciences
Chemistry, Analytical
OpenMS (R)
Summary The selection of two orthogonal columns for two-dimensional high performance liquid chromatography (LC×LC) separation of natural product extracts can be a labour intensive and time consuming process and in many cases is an entirely trial-and-error approach. This paper introduces a blind optimisation method for column selection of a black box of constituent components. A data processing pipeline, created in the open source application OpenMS®, was developed to map the components within the mixture of equal mass across a library of HPLC columns; LC×LC separation space utilisation was compared by measuring the fractional surface coverage, fcoverage. It was found that for a test mixture from an opium poppy (Papaver somniferum) extract, the combination of diphenyl and C18 stationary phases provided a predicted fcoverage of 0.48 and was matched with an actual usage of 0.43. OpenMS®, in conjunction with algorithms designed in house, have allowed for a significantly quicker selection of two orthogonal columns, which have been optimised for a LC×LC separation of crude extractions of plant material.
Language eng
DOI 10.1016/j.talanta.2016.03.056
Field of Research 030108 Separation Science
0301 Analytical Chemistry
0399 Other Chemical Sciences
Socio Economic Objective 970103 Expanding Knowledge in the Chemical Sciences
HERDC Research category C1 Refereed article in a scholarly journal
ERA Research output type C Journal article
Grant ID LP130100681
Copyright notice ©2016, Elsevier
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