Use of the solubility parameter for predicting selectivity and retention in chromatography

Tijssen, R.; Billiet, H.A.H.; Schoenmakers, Peter J.

doi:10.1016/s0021-9673(00)82244-x

Cited by 190 publications

(55 citation statements)

References 48 publications

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“…Equations valid over the whole range of mobile phase composition were described by Schoenmakers et al 14,15 and by Bosch, Bou and Rosés. 16 Schoenmakers quadratic equation uses factors based on Hildebrands solubility parameter.…”

Section: Mathematical Modelsmentioning

confidence: 99%

“…Numerous works have been done in that field and mathematical models relating the retention factor to properties of the column, the solute and the mobile phase were developed. [13][14][15][16][17][18][19][20] The retention has been related to physicochemical parameters or, in more empiric ways, to parameters derived from retention data.The retention and selectivity characteristics of novel calixarene-bonded HPLC-phases are described here. Therefore a multiple term equation has been used.…”

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Selectivity of Calixarene-bonded Silica-phases in HPLC: Description of Special Characteristics with a Multiple Term Linear Equation at Two Different pH-Values

2008

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Calixarenes are supramolecules consisting of phenol units linked via methylene bridges. Covalently bonded to a silica gel, they act as a reversed-phase. Their application as a stationary phase in HPLC has been recently reviewed. 1Additionally to the well known interactions of alkyl-bonded silicas, they can give rise to retention by forming complexes [2][3][4][5][6][7][8][9][10] and by providing p-p-interactions 3,7,11,12 or p-electron-transfer. 7-12For that reason, calixarene-bonded phases exhibit special selectivities. It is obvious that differences of selectivities can be distinct between different kinds of calixarene-bonded phases and especially between calixarene-bonded phases and common C18-phases. In order to select suitable columns for new separation problems, it would be beneficial to numerically describe the retention characteristics and the selectivity of each column. Numerous works have been done in that field and mathematical models relating the retention factor to properties of the column, the solute and the mobile phase were developed. [13][14][15][16][17][18][19][20] The retention has been related to physicochemical parameters or, in more empiric ways, to parameters derived from retention data.The retention and selectivity characteristics of novel calixarene-bonded HPLC-phases are described here. Therefore a multiple term equation has been used. The mechanisms of retention are estimated with its single parameters. Theory Mathematical modelsA linear equation describing solute retention was introduced by Snyder:Here the retention of a solute ln k¢ is defined by its retention in pure water, a solute specific value S and the volume fraction of organic modifier f. Yet the equations applicability is limited to a range of 0.2 -0.8f. Equations valid over the whole range of mobile phase composition were described by Schoenmakers et al. 14,15 and by Bosch, Bou and Rosés. 16 Schoenmakers quadratic equation uses factors based on Hildebrands solubility parameter. 21 The factors can be calculated from physical parameters.The model of Rosés et al. is based on the Dimroth Reichardt polarity parameter ET(30). 22 This parameter had been related to log k¢ by Johnson et al. 17 and has been found to give better linear relations to log k¢ than the volume fraction of methanol. Under the assumption that stationary phase polarity is independent of mobile phase composition, Rosés model predicts retention factors by use of two variables. This leads to a simple equation which can be handled easily. Pappa-Louisi et al.23 studied various two-and three-parameter-models concerning their applicability to predict ln k¢. The best predictions could be given by a three-parameter-model, while the two-parametermodels gave comparatively poor results. They pointed out that generally the largest errors occur for predicting retention times of late eluting substances at low modifier concentrations and that predictions deteriorate if the observed modifier range expands.However, although such "compact" systems include only a small number of p...

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Section: Mathematical Modelsmentioning

confidence: 99%

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confidence: 99%

Selectivity of Calixarene-bonded Silica-phases in HPLC: Description of Special Characteristics with a Multiple Term Linear Equation at Two Different pH-Values

2008

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“…Most simple models assume a linear dependence of log k on (Equation 3). A quadratic equation was introduced to account for occasional nonlinearity, especially in mobile phases with low (48). Column hydrophobicity can be characterized by methylene group selectivity ␣, most often in the homologous n-alkylbenzene series.…”

Section: Lipophilicity and Polaritymentioning

confidence: 99%

Peer Reviewed: Characterizing HPLC Stationary Phases

Krupczyńska¹,

Buszewski²

2004

Anal. Chem.

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great variety of stationary phases is available to analyze an even larger array of compounds. Stationary phases in which organic moieties (alkyl chains, aryl, amine, cholesterolic, phospholipids, phenol groups, etc.) are grafted onto a silica surface are the most popular. Sometimes the stationary phases themselves must be characterized, such as for quality control purposes. Often, interpreting chromatographic data is difficult because even columns that are "identical"-produced by the same manufacturer-exhibit different chromatographic properties. Determining the structure and properties of new stationary phases is also extremely important so that the retention mechanism, which plays a significant role in selectivity, can be described accurately. Chromatographic separation occurs because of the differences in the affinities of solute molecules for the stationary phase-retention is a process of solute transfer from a mobile phase onto/into a stationary phase (1).Column quality depends on a number of factors, the most important of which are homogeneity of both particle packing in the column bed and arrangement of the chemically bonded phase on the adsorbent surface. These factors determine the reproducibility of chromatographic data, and the large number of these factors is why there are a lot of methods for characterizing columns. Obviously, no ideal single technique can characterize all the © 2 0 0 4 A M E R

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“…Since the existence of polar interactions and specific effects such as hydrogen bonding has been neglected in the traditional Hildebrand description of regular or near-regular systems, several extended solubility parameter models have been proposed. In a four-component solubility parameter model, 19,20 the solubility parameter in the regular solution equation (δ H ) is subdivided into dispersion (δ d ), polarity (δ p ), acidity (δ a ), and basicity (δ b ) parameters with the following mixing rule (symmetric interactions for dispersion and polar effects and asymmetric interactions for hydrogen bonding):…”

Section: Derivation Of 4spm-lser Equationmentioning

confidence: 99%

Analysis of solvation in ionic liquids using a new linear solvation energy relationship

Lee

2004

J of Chemical Tech & Biotech

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Use of the solubility parameter for predicting selectivity and retention in chromatography

Cited by 190 publications

References 48 publications

Selectivity of Calixarene-bonded Silica-phases in HPLC: Description of Special Characteristics with a Multiple Term Linear Equation at Two Different pH-Values

Selectivity of Calixarene-bonded Silica-phases in HPLC: Description of Special Characteristics with a Multiple Term Linear Equation at Two Different pH-Values

Peer Reviewed: Characterizing HPLC Stationary Phases

Analysis of solvation in ionic liquids using a new linear solvation energy relationship

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