Correlation of structure with retention index for chlorinated dibenzo-p-dioxins

Donnelly, J.R.; Munslow, W.D.; Mitchum, R. K.; Sovocool, G. Wayne

doi:10.1016/s0021-9673(01)94253-0

Cited by 104 publications

(43 citation statements)

References 15 publications

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“…where RI is the gas chromatographic retention indexes derived by Donnelly et al (1987) and Hale et al (1985), and T is ambient temperature (K). The parameters reported by Falconer and Bidleman (1994) have been used for simulating the P L o of PCBs.…”

Section: Sampling and Analysismentioning

confidence: 99%

Atmospheric Dry Deposition of Polychlorinated Dibenzo-p-Dioxins/Dibenzofurans (PCDD/Fs) and Polychlorinated Biphenyls (PCBs) in Southern Taiwan

Lin

et al. 2012

Aerosol Air Qual. Res.

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Dry deposition is one of the major routes by which air pollutants enter the ecosystem, and thus this study investigated the dry deposition characteristics of polychlorinated dibenzo-p-dioxins/dibenzofurans (PCDD/Fs) and biphenyls (PCBs) in the ambient air of industrial, urban, and rural areas in southern Taiwan from November 2010 to May 2011. Average dry deposition fluxes of total PCDD/Fs and PCBs in the ambient air of four sites were 157-544 pg/m 2 -day (8.30-27.5 pg I-TEQ/m 2 -day) and 289-1010 pg/m 2 -day (0.540-1.94 pg WHO-TEQ/m 2 -day), respectively. The results showed that particle phase depositions dominated the dry deposition processes for the removal of PCDD/Fs and PCBs from the atmosphere, and the atmospheric deposition flux in the cold season tended to be higher than that during the warm season. The dry deposition velocity of individual PCDD/Fs (0.031-0.546 cm/s) increased as the number of chlorinated substitutes increased, which were similar to those measured or predicted in other Asian countries. Similar patterns of dry deposition velocities were observed for individual PCBs (0.069-3.38 cm/s), due to the fact that low chlorinated PCBs are predominant in gas phase and have lower deposition velocities.

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Section: Sampling and Analysismentioning

confidence: 99%

Atmospheric Dry Deposition of Polychlorinated Dibenzo-p-Dioxins/Dibenzofurans (PCDD/Fs) and Polychlorinated Biphenyls (PCBs) in Southern Taiwan

Lin

et al. 2012

Aerosol Air Qual. Res.

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“…To this end it turns out to be necessary to extend the SOFA model by the inclusion of a novel molecular orientational disorder entropy contribution. For the derivation of key descriptors we use Kovats retention indices (I) determined by Hale et al [5] and Donnelly et al [6] on apolar DB5 columns. The model is validated using relative retention times (RRT) determined by Ryan et al [7] on columns of different polarity.…”

Section: Introductionmentioning

confidence: 99%

“…The model is validated using relative retention times (RRT) determined by Ryan et al [7] on columns of different polarity. The predictions are compared with the results obtained by other methods [6,[8][9][10][11][12]]. …”

Section: Introductionmentioning

confidence: 99%

Derivation of solubility parameters of chlorinated dibenzofurans and dibenzo[p]dioxins from gas chromatographic retention parameters via SOFA

Govers

Wielen

Olie

1995

Journal of Chromatography A

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Derivation of solubility parameters of chlorinated dibenzofurans and dibenzo(p)dioxins from gas chromatographic parameters via SOFA. Govers, H.A.J.; van der Wielen, F.W.M.; Olie, K. Disclaimer/Complaints regulationsIf you believe that digital publication of certain material infringes any of your rights or (privacy) interests, please let the Library know, stating your reasons. In case of a legitimate complaint, the Library will make the material inaccessible and/or remove it from the website. Please Ask the Library: http://uba.uva.nl/en/contact, or a letter to: Library of the University of Amsterdam, Secretariat, Singel 425, 1012 WP Amsterdam, The Netherlands. You will be contacted as soon as possible. AbstractMolar heat of vaporization, molar liquid volume and Scatchard-Hildebrand solubility parameters of chlorinated dibenzofurans (PCDFs) and dibenzo[p]dioxins (PCDDs) were derived from (semi-)empirical values of heat of vaporization, (subcooled) liquid density and gas chromatographic Kovats retention indices. To this end a thermodynamic prediction model (SOFA), recently developed, was extended by an exchange entropy contribution representing molecular orientational disorder. The parameters derived were validated using experimental values of relative retention times on stationary phases of different polarities. Accurate to extremely accurate results were obtained with standard errors of regression close to experimental inaccuracy and high correlation coefficients comparing favourably to existing methods of prediction. The parameters derived performed quite well for apolar to moderately polar stationary phases. For polar phases inaccuracy increased significantly. The method has several advantages compared to other methods used for the prediction of chromatographic retention.

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“…The P L 0 for the PCDD/F congeners can be calculated using Eq. (3), in which T (SI Table S2) and RI are the temperature (K) and the gas chromatographic retention index of the compound of interest, respectively (Donnelly et al, 1987;Hale et al, 1985;Hung et al, 2002).…”

Section: Resultsmentioning

confidence: 99%

Particle size distributions and gas–particle partitioning of polychlorinated dibenzo-p-dioxins and dibenzofurans in ambient air during haze days and normal days

Zhang

Zheng

Liang

et al. 2016

Science of The Total Environment

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• PCDD/F particle size distributions on haze days and normal days were determined.• Higher concentrations of airborne PCDD/Fs were detected during all haze days.• 95% of PCDD/Fs were absorbed in the d ae b 2.5 μm particles on haze days.• Harner-Bidleman model predicted the particulate fractions of PCDD/F congeners well. G R A P H I C A L A B S T R A C TThe following figure is presented as the graphical abstract.a b s t r a c t a r t i c l e i n f o Little information is available on the distributions of airborne polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) during haze days. In this study, PCDD/F concentrations, particle size distributions, and gas-particle partitioning in a Beijing suburban area during haze days and normal days were investigated. High PCDD/F concentrations, 3979-74,702 fg m −3 (173-3885 fg I-TEQ m −3), were found during haze days and~98% of the PCDD/Fs were associated with particles. Most PCDD/F congeners (N 90%) were associated with particles. PCDD/ F concentrations increased as particle sizes decreased and 95% of the particle-bound PCDD/Fs were associated with inhalable fine particles with aerodynamic diameters b 2.5 μm. PCDD/Fs were mainly absorbed in the particles and the Harner-Bidleman model predicted the particulate fractions of the PCDD/F congeners in the air samples well. The investigated PCDD/F concentrations and particle-bound distributions were different during normal days than during haze days. Temporal airborne PCDD/F trends in a suburban area during haze conditions could support better understanding of the exposure risk posed by toxic PCDD/Fs associated with fine particles.

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Correlation of structure with retention index for chlorinated dibenzo-p-dioxins

Cited by 104 publications

References 15 publications

Atmospheric Dry Deposition of Polychlorinated Dibenzo-p-Dioxins/Dibenzofurans (PCDD/Fs) and Polychlorinated Biphenyls (PCBs) in Southern Taiwan

Atmospheric Dry Deposition of Polychlorinated Dibenzo-p-Dioxins/Dibenzofurans (PCDD/Fs) and Polychlorinated Biphenyls (PCBs) in Southern Taiwan

Derivation of solubility parameters of chlorinated dibenzofurans and dibenzo[p]dioxins from gas chromatographic retention parameters via SOFA

Particle size distributions and gas–particle partitioning of polychlorinated dibenzo-p-dioxins and dibenzofurans in ambient air during haze days and normal days

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