Comprehensive two-dimensional liquid chromatography–tandem mass spectrometry for the simultaneous determination of wine polyphenols and target contaminants

Donato, Paola; Rigano, Francesca; Cacciola, Francesco; Schure, Mark R.; Farnetti, Sara; Russo, Marina; Dugo, Paola; Mondello, Luigi

doi:10.1016/j.chroma.2016.06.042

Cited by 72 publications

(50 citation statements)

References 40 publications

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“…Also shown in Table 4 is the 3D OM product O 3 D · V H ,3 D that is reminiscent of the 2D product of orthogonality O o and the convex hull relative area A H suggested in previous 2D work [9, 26]. The concept underlying this product is that both the ordering of retention times in the available space (i.e., large O ) and the size of that space (i.e., large V H ,3 D ) are important.…”

Section: Resultsmentioning

confidence: 99%

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Orthogonality measurements for multidimensional chromatography in three and higher dimensional separations

Schure¹,

Davis

2017

Journal of Chromatography A

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Orthogonality metrics (OMs) for three and higher dimensional separations are proposed as extensions of previously developed OMs, which were used to evaluate the zone utilization of two-dimensional (2D) separations. These OMs include correlation coefficients, dimensionality, information theory metrics and convex-hull metrics. In a number of these cases, lower dimensional subspace metrics exist and can be readily calculated. The metrics are used to interpret previously generated experimental data. The experimental datasets are derived from Gilar’s peptide data, now modified to be three dimensional (3D), and a comprehensive 3D chromatogram from Moore and Jorgenson. The Moore and Jorgenson chromatogram, which has 25 identifiable 3D volume elements or peaks, displayed good orthogonality values over all dimensions. However, OMs based on discretization of the 3D space changed substantially with changes in binning parameters. This example highlights the importance in higher dimensions of having an abundant number of retention times as data points, especially for methods that use discretization. The Gilar data, which in a previous study produced 21 2D datasets by the pairing of 7 one-dimensional separations, was reinterpreted to produce 35 3D datasets. These datasets show a number of interesting properties, one of which is that geometric and harmonic means of lower dimensional subspace (i.e., 2D) OMs correlate well with the higher dimensional (i.e., 3D) OMs. The space utilization of the Gilar 3D datasets was ranked using OMs, with the retention times of the datasets having the largest and smallest OMs presented as graphs. A discussion concerning the orthogonality of higher dimensional techniques is given with emphasis on molecular diversity in chromatographic separations. In the information theory work, an inconsistency is found in previous studies of orthogonality using the 2D metric often identified as %O. A new choice of metric is proposed, extended to higher dimensions, characterized by mixes of ordered and random retention times, and applied to the experimental datasets. In 2D, the new metric always equals or exceeds the original one. However, results from both the original and new methods are given.

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Section: Resultsmentioning

confidence: 99%

“…We suspect the answer is no. While this product worked well in 2D [9,26], the use of metric products needs to be reexamined in higher dimensions, as the relative occupied volume intuitively appears to be less.…”

Section: Discussionmentioning

confidence: 99%

Orthogonality measurements for multidimensional chromatography in three and higher dimensional separations

Schure¹,

Davis

2017

Journal of Chromatography A

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“…The unique performance of these particle columns, offering the advantages of higher efficiencies and rugged design, capable of high-pressure operation, was demonstrated in some studies Marchetti et al, 2007;Cavazzini et al, 2007;Cunliffe and Maloney, 2007;Donato et al, 2009). Because of these attributes, these columns were chosen as 2 D of LC Â LC systems, and several research groups (Mondello, Dugo, Jandera and Cifuentes) used them in natural products applications (Hajek et al, 2008;Dugo et al, 2008cDugo et al, , 2009aRusso et al, 2011;Mondello et al, 2011;Cacciola et al, 2012;Leme et al, 2014;Jandera, 2012;Cesla et al, 2009;Hájek and Jandera, 2012;Montero et al 2013aMontero et al ,b, 2014Montero et al , 2016aDonato et al, 2016). In two of the abovementioned references (Dugo et al, 2008c;Hajek et al, 2008) the performance of a partially porous short column was compared with that of a monolithic column.…”

Section: Advances In Practicementioning

confidence: 99%

“…quantification can be performed by combining the contribution of each individual 2 D "slice" of a 1 D chromatographic peak, or by using more advanced algorithms Hyilompolo, 2007, 2008;Dugo et al, 2009a;Russo et al, 2011;Donato et al, 2016). Advanced data analysis techniques, e.g., multivariate data analysis, can also be applied to LC Â LC data, despite it being more complicated with respect to 1D-LC separations (Pierce and Mohler, 2012;Bailey and Rutan, 2013).…”

Section: Instrumental Set-up and Data Analysis 291mentioning

confidence: 99%

“…The orthogonality of RP-LC Â RP-LC systems can be improved through a critical selection of the mobilephase composition (typically the organic modifier used because pH in the range used for flavonoid analysis has little effect on the selectivity), and especially the stationary phase chemistries used in both dimensions. In the case where gradient separation is performed in both dimensions, the 2 D gradient can be varied throughout the 1 D separation to maximize the utilization of the RP-LC Â RP-LC space Jandera et al, 2010a,b;Hájek and Jandera, 2012;Leme et al, 2014;Donato et al, 2016): "continuously shifting" where only a single gradient spanning the whole 2 D separation time is adopted simultaneously to the 1 D gradient, and "SIF" where different gradient ranges in various segments of the 1 D separation are employed. Fig.…”

Section: Lc 3 Lc Of Polyphenolic Antioxidantsmentioning

confidence: 99%

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Theory and Practice of UHPLC and UHPLC–MS

Guillarme

Veuthey

2017

Handbook of Advanced Chromatography /Mass Spectrometry Techniques

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Comprehensive Two‐dimensional Chromatography: An Insight into the Analysis of Food and Food Products

Zoccali

Cacciola

Arena

et al. 2021

Encyclopedia of Analytical Chemistry

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Food chemistry is a branch of food science involved in the evaluation of the composition along with chemical, physical, and functional properties of foods and food products during their different processing stages and storage periods. Chromatographic methods are the most employed analytical techniques for their analysis. However, when a single chromatographic method is not sufficient for providing satisfactory results, more advanced and performant strategies need to be considered. In this regard, comprehensive two‐dimensional chromatography, involving two different separation modes, turned out to be a powerful analytical strategy for the analysis of very complex food samples. This article aims to highlight how the hyphenation of two single separation systems could be a valuable tool for handling such complex samples. The first part deals with general considerations about the technique including the design of modulation interfaces, whereas in the second part selected applications to food analytes of interest, analyzed by both comprehensive two‐dimensional liquid and gas chromatography, are reported and discussed.

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Comprehensive two-dimensional liquid chromatography–tandem mass spectrometry for the simultaneous determination of wine polyphenols and target contaminants

Cited by 72 publications

References 40 publications

Orthogonality measurements for multidimensional chromatography in three and higher dimensional separations

Orthogonality measurements for multidimensional chromatography in three and higher dimensional separations

Theory and Practice of UHPLC and UHPLC–MS

Comprehensive Two‐dimensional Chromatography: An Insight into the Analysis of Food and Food Products

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