Estimation of soil organic partition coefficients: from retention factors measured by soil column chromatography with water as eluent

Xu, Feng; Liang, Xinmiao; Lin, Bangjiang; Schramm, Karl‐Werner; Kettrup, A.

doi:10.1016/s0021-9673(02)00821-x

Cited by 10 publications

(9 citation statements)

References 23 publications

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“…Thus, for adsorbate molecules with a higher water solubility, the k d values are always smaller than those of less water soluble adsorbate molecules, i.e. Thus, this study successfully eliminated the gap between the K OC and K OM values and both obtained log K OC and log K OM values in this study are signicantly greater than those of the natural soil system as well so far reported literature values, 28,30 as shown in Table 5. However, due to this distribution of non-ionic organic pollutants into the organic phase of the adsorbent in soil-water system, again the total organic content has to be corrected, as shown in Table 4, i.e.…”

Section: Uptake Of Organic Pollutants (Btex)supporting

confidence: 61%

A facile approach for achieving an effective dual sorption ability of Si/SH/S grafted sodium montmorillonite

et al. 2015

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In this study, sodium montmorillonite was functionalized with SH, S and Si functional groups using four different soil modifiers, 1,3-bis(3-aminopropyl)-1,1,3,3-tetramethyldisiloxane [BAT], 3,3 0tetrathiobis(propyl-triethoxysilane) [TP], thiodiglycol bis(3-aminocrotonate) [TDBA] and (3mercaptopropyl)trimethoxysilane [MPTMS], for the effective uptake of both organic and inorganic pollutants. The uptake of inorganic (Cu 2+ , Zn 2+ ) and organic [benzene, toluene, ethylbenzene and pxylene (BTEX)] pollutants was studied with individual as well as binary mixtures. Based on the experimental results, the soil modifier MPTMS best improved the sorption characteristics and, among two metal ions, Cu 2+ showed enhanced adsorption. Sorption of BTEX was not correlated with a single parameter and hence it differed for the different cases based on the organic matter content. The obtained log K OC and log K OM values of BTEX in this study for modified montmorillonite arecomparatively larger than those of unmodified montmorillonite or natural soil. Sorption carried out in the binary mixtures showed that there is no interaction between these pollutants and the presence of one did not retard the adsorption of another. The uptake phenomenon was influenced by various combined factors such as the nature, surface charge and surface area of the modified soils.

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Section: Uptake Of Organic Pollutants (Btex)supporting

confidence: 61%

A facile approach for achieving an effective dual sorption ability of Si/SH/S grafted sodium montmorillonite

et al. 2015

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“…For estimation of the success of the outlined procedure development, very valuable information comes from: soil leaching column chromatographic techniques for estimation of the leaching behavior of pesticides in soil [27]; soil column chromatography used for correlation between capacity factors and soil organic partition coefficients of pesticides [28]; derivation of retention equations or estimation of soil organic partition coefficients of organic chemicals in soil column chromatography with methanol -water [29] or water as eluents [30]; and also from prediction of soil organic carbon partition coefficients by soil column liquid chromatography [31].…”

Section: Introductionmentioning

confidence: 99%

Method of fast trace microanalysis of the chiral pesticides epoxiconazole and novaluron in soil samples using off‐line flow‐through extraction and on‐column direct large volume injection in reversed‐phase high performance liquid chromatography

Rybár¹,

Góra²,

Hutta³

2007

J of Separation Science

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An analytical method combining off-line flow-through extraction of a soil micro-sample (mass around 100 mg, packed into a short HPLC glass column) and direct on-column large-volume injection (LVI up to 1.00 mL) of a methanol-water soil extract onto a conventional C18 RP HPLC column enabled fast (within 3.5 minutes) trace micro-analysis of the relatively new chiral pesticides epoxiconazole (E) and novaluron (N), respectively. Linear calibration curves were evaluated from UV detection (230 nm) data in the range from 0.1 to 5 mg/kg in three most abundant Slovak agricultural soils. LOD (confidence band) at the levels 0.08-0.11 mg/kg and LOQ 0.4-0.6 mg/kg and LOD (S/N = 3) at the levels 0.007-0.018 mg/kg and LOQ (S/N = 10) 0.024-0.060 mg/kg, respectively, of dry soil were achieved. Recovery of pesticides in the overall LVI method including flow-through 130-200 mg soil micro-sample extraction was: for epoxiconazole from 74 to 85% and from 56% to 90% for novaluron with reproducibility within +/- 6% RSD. This fast (30 min) and simple method consists of just three steps which are short column filling with a solid micro-sample; flow-through liquid extraction and direct large-volume injection RP HPLC DAD analysis. The method is prepared for automation and further analysis of enantiomers of both investigated pesticides by achiral-chiral column switching techniques.

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“…The PC1 vs. PC2 score plot show the presence of at least two groups. The first one is located at the right side of the plot consisting of mostly polyaromatic hydrocarbons (compounds 7, [18][19][20][21][22][23][24][25], while the benzodiazepines and the rest of phenols and aromatic compounds are located at the left side of the graph. Two compounds: p-aminobenzoic acid (17) and p-anisidine (11) …”

Section: Exploratory Data Analysismentioning

confidence: 99%

“…Mostly typical reversed-phase (RP) modalities have been used so far, with different combination of sorbents such as: chemically bonded octadecyl silica (RP-18) [7][8][9], cyano-modified silica (CN) [7][8][9][10][11][12][13][14][15], tetramethylamonium-(TMA) [9], aminopropyl- [11], as well as humic acidmodified silica [11,[16][17][18]. In addition, soil materials have been used as sorbents with great success [19][20][21] providing valuable insights into mobility of analytes in different soils [22].…”

Section: Introductionmentioning

confidence: 99%

Linear modeling of the soil-water partition coefficient normalized to organic carbon content by reversed-phase thin-layer chromatography

Andrić

Šegan

Dramićanin³

et al. 2016

Journal of Chromatography A

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Soil-water partition coefficient normalized to the organic carbon content (KOC) is one of the crucial properties influencing the fate of organic compounds in the environment. Chromatographic methods are well established alternative for direct sorption techniques used for KOC determination. The present work proposes reversed-phase thin-layer chromatography (RP-TLC) as a simpler, yet equally accurate method as officially recommended HPLC technique. Several TLC systems were studied including octadecyl-(RP18) and cyano-(CN) modified silica layers in combination with methanol-water and acetonitrile-water mixtures as mobile phases. In total 50 compounds of different molecular shape, size, and various ability to establish specific interactions were selected (phenols, beznodiazepines, triazine herbicides, and polyaromatic hydrocarbons). Calibration set of 29 compounds with known logKOC values determined by sorption experiments was used to build simple univariate calibrations, Principal Component Regression (PCR) and Partial Least Squares (PLS) models between logKOC and TLC retention parameters. Models exhibit good statistical performance, indicating that CN-layers contribute better to logKOC modeling than RP18-silica. The most promising TLC methods, officially recommended HPLC method, and four in silico estimation approaches have been compared by non-parametric Sum of Ranking Differences approach (SRD). The best estimations of logKOC values were achieved by simple univariate calibration of TLC retention data involving CN-silica layers and moderate content of methanol (40-50%v/v). They were ranked far well compared to the officially recommended HPLC method which was ranked in the middle. The worst estimates have been obtained from in silico computations based on octanol-water partition coefficient. Linear Solvation Energy Relationship study revealed that increased polarity of CN-layers over RP18 in combination with methanol-water mixtures is the key to better modeling of logKOC through significant diminishing of dipolar and proton accepting influence of the mobile phase as well as enhancing molar refractivity in excess of the chromatographic systems.

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Estimation of soil organic partition coefficients: from retention factors measured by soil column chromatography with water as eluent

Cited by 10 publications

References 23 publications

A facile approach for achieving an effective dual sorption ability of Si/SH/S grafted sodium montmorillonite

A facile approach for achieving an effective dual sorption ability of Si/SH/S grafted sodium montmorillonite

Method of fast trace microanalysis of the chiral pesticides epoxiconazole and novaluron in soil samples using off‐line flow‐through extraction and on‐column direct large volume injection in reversed‐phase high performance liquid chromatography

Linear modeling of the soil-water partition coefficient normalized to organic carbon content by reversed-phase thin-layer chromatography

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