Hydrophilic-subtraction model for the characterization and comparison of hydrophilic interaction liquid chromatography columns

Wang, Jixia; Guo, Zhimou; Shen, Aijin; Yu, Long; Xiao, Yuansheng; Xue, Xian; Zhang, Xiuli; Liang, Xinmiao

doi:10.1016/j.chroma.2015.03.065

Cited by 40 publications

(22 citation statements)

References 53 publications

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“…Currently, a common approach in targeted metabolomics is “RP for non-polar and HILIC for the rest”, which fails to take into account that HILIC columns are heterogeneous and their separation performance is less predictable than that of RP materials (6). The complex, multi-increment retention processes occurring in HILIC render this technique flexible but also more challenging in terms of method development and selectivity prediction (18–20, 24, 25). .…”

Section: Resultsmentioning

confidence: 99%

“…LSER approaches utilize solute properties to establish system constants and characterize HILIC columns, for example by relating retention to hydrophobicity, charge state and H bond donor/acceptor properties (18–20). However, such models have limited predictive power and are often impractical or inaccessible outside of dedicated chromatography research laboratories.…”

Section: Introductionmentioning

confidence: 99%

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Evaluation of coverage, retention patterns, and selectivity of seven liquid chromatographic methods for metabolomics

Wernisch

Pennathur

2016

Anal Bioanal Chem

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Liquid chromatography-mass spectrometry (LC-MS)-based metabolomics studies require highly selective and efficient chromatographic techniques. Typically employed reversed-phase (RP) methods fail to target polar metabolites but the introduction of hydrophilic interaction liquid chromatography (HILIC) is slow due to perceived issues of reproducibility and ruggedness and a limited understanding of the complex retention mechanisms. In this study, we present a comparison of the chromatographic performance of a traditional RP-C18 column with zwitterionic, amide-, alkyl diol- and aminoalkyl-based HILIC and mixed-mode columns. Our metabolite library represents one of the largest analyte sets available and consists of 764 authentic metabolite standards including amino acids, nucleotides, sugars and other metabolites representing all major biological pathways and commonly observed exogenous metabolites (drugs). Coverage, retention patterns and selectivity of the individual methods are highly diverse even between conceptually related HILIC methods. Furthermore, we show that HILIC sorbents having highly orthogonal selectivity and specificity enhance the coverage of major metabolite groups in (semi-) targeted applications compared to RP. Finally, we discuss issues encountered in the analysis of biological samples based on results obtained with human plasma extracts. Our results demonstrate that fast and highly reproducible separations on zwitterionic columns are feasible but knowledge of analyte properties is essential to avoid chromatographic bias and exclusion of key analytes in metabolomics studies.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Evaluation of coverage, retention patterns, and selectivity of seven liquid chromatographic methods for metabolomics

Wernisch

Pennathur

2016

Anal Bioanal Chem

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“…65 The hydrophilic-subtraction model is based on the major interactions governing HILIC retention, namely, hydrophilic partitioning, hydrogen-bonding and electrostatic interactions and is constructed using a format similar to the LSER model as shown in eqn (9): 65 The hydrophilic-subtraction model is based on the major interactions governing HILIC retention, namely, hydrophilic partitioning, hydrogen-bonding and electrostatic interactions and is constructed using a format similar to the LSER model as shown in eqn (9):…”

Section: Modelling Retention In Hilicmentioning

confidence: 99%

“…In eqn (9), all the capital letters are solute descriptors, H describing the hydrophilic partitioning ability of the solutes, A and B the solute hydrogen-bonding acidity and basicity, C and D the solution cation-exchange and anionexchange properties, respectively. 65 Although similar in format to the LSER model, it should be noted that the hydrophilic-interaction model is fundamentally different from LSER. Using 41 test solutes (including one reference solute, uracil) and 8 model columns (including one reference column, TSKgel-Amide 80), all the solute descriptors and system constants were calculated through multiple linear regression.…”

Section: Modelling Retention In Hilicmentioning

confidence: 99%

“…30 A significant discriminating factor was whether the selectivity was based on adsorption and oriented hydrogen bonding or partitioning and multipoint interactions. 65 An angle (θ) between two solvent energy vectors More recently, Periat et al employed the chemometric approach to analyse a large set of data generated from 120 runs using 5 HILIC columns packed with sub-2 μm particles under various mobile phase conditions.…”

Section: Selectivity Of the Polar Stationary Phasesmentioning

confidence: 99%

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Recent progress in the fundamental understanding of hydrophilic interaction chromatography (HILIC)

Guo

2015

Analyst

116

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With the exponential growth in the application of the HILIC technique, there has been a significant progress in understanding the fundamental aspects of hydrophilic interaction chromatography. The experimental studies tend to be more extensive in terms of the number of stationary phases investigated and the number of probe compounds employed in comparison with the earlier studies; and more theoretical studies in quantitative structure retention relationship (QSRR) and molecular dynamics simulations have also been published and provide molecular-level insights into the retention mechanism. This review focuses on the recent progress in understanding the retention mechanism, retention models, selectivity, and the kinetic performance of HILIC. A better understanding of these fundamental aspects will undoubtedly facilitate more applications of this chromatographic technique in a wider range of fields.

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Hydrophilic Interaction Liquid Chromatography of Small Molecules

Gama

Bottoli

2018

Encyclopedia of Analytical Chemistry

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Hydrophilic interaction liquid chromatography (HILIC) provides an alternative approach to separation of mixtures of polar and hydrophilic compounds that are poorly resolved by reversed‐phase liquid chromatography. This separation mode involves polar stationary phases and an aqueous mobile phase, usually rich in an organic solvent such as acetonitrile (ACN). In addition to the commonly accepted mechanism of analyte liquid–liquid partitioning between the mobile phase and the water‐enriched solvent layer, which is partially immobilized onto the surface of the stationary phase, hydrogen bonding, hydrophobic interaction, and ion‐exchange interactions may also be involved. HILIC applications for the analysis of small polar molecules can be found in pharmaceutical, medicinal, food, and agricultural chemistry. Carbohydrates, amino acids, nucleotides, polar drugs, metabolites, toxins, and other small polar or ionizable compounds are typical HILIC analytes.

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Hydrophilic-subtraction model for the characterization and comparison of hydrophilic interaction liquid chromatography columns

Cited by 40 publications

References 53 publications

Evaluation of coverage, retention patterns, and selectivity of seven liquid chromatographic methods for metabolomics

Evaluation of coverage, retention patterns, and selectivity of seven liquid chromatographic methods for metabolomics

Recent progress in the fundamental understanding of hydrophilic interaction chromatography (HILIC)

Hydrophilic Interaction Liquid Chromatography of Small Molecules

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