Elucidating the sorption mechanism of “mixed-mode” SPME using the basic drug amphetamine as a model compound

Peltenburg, Hester; Groothuis, Floris A.; Droge, Steven T.J.; Bosman, Ingrid J.; Hermens, Joop L. M.

doi:10.1016/j.aca.2013.04.030

Cited by 22 publications

(39 citation statements)

References 37 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…S1). After taking out the desorbed fibers, the desorption solutions were acidified to pH 2-3 using 60 L 0.1 M HCl, to approximate the mobile phase [20]. C18 fibers were desorbed for a minimum of 30 min in 90% acetonitrile and 10% water (180 L), according to the instructions of the manufacturer.…”

Section: Spme Proceduresmentioning

confidence: 99%

“…a newly developed "mixed-mode" coating (C18/SCX), consisting of hydrophobic C18 chains and embedded strong cation exchange groups (propylsulfonic acid) coated on porous silica [20]. This C18/SCX fiber was shown to extract ionized amphetamine with a much higher yield than other, neutral polymer coatings such as polydimethylsiloxane (PDMS) and polyacrylate (PA).…”

Section: Introductionmentioning

confidence: 99%

“…These studies show that coatings with ion-exchange phases may especially provide high yields for small organic cations, where the neutral fraction has insufficient affinity to sorb to classic SPME coatings. However, the sorption process is dependent on several factors such as pH and the concentration of other (inorganic) cations such as Na + and K + [20], which may compete for sorption to the C18/SCX coating. Although these variables have been studied in equilibrated systems, other factors that influence sorption to C18/SCX coatings, such as the influence of uptake kinetics and the effects on sorption affinity in the presence of other charged drugs in mixtures are still not completely understood.…”

Section: Introductionmentioning

confidence: 99%

“…Our previous work was based on equilibrium sampling of amphetamine in simple physiological buffers to compare the C18/SCX fiber to other SPME coatings [20]. Detailed insight into the characteristics and mechanisms of the extraction process is needed before it can be applied in toxicity or forensic studies.…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Sorption of amitriptyline and amphetamine to mixed-mode solid-phase microextraction in different test conditions

Peltenburg

Droge

Hermens

et al. 2015

Journal of Chromatography A

Self Cite

View full text Add to dashboard Cite

Section: Spme Proceduresmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Sorption of amitriptyline and amphetamine to mixed-mode solid-phase microextraction in different test conditions

Peltenburg

Droge

Hermens

et al. 2015

Journal of Chromatography A

Self Cite

View full text Add to dashboard Cite

“…In silico modeling can be applied for prediction of either pharmacodynamics (targets of drug action and toxicity) or pharmacokinetic properties of the candidate molecules (Mendez et al, 2016). Both properties involve interactions with multiple biological systems (Hodos et al, 2016;Lounnas et al, 2013;Peltenburg et al, 2013).…”

Section: Introductionmentioning

confidence: 99%

A systematic review: Application of in silico models for antimalarial drug discovery

Cheoymang¹,

Na‐Bangchang²

2018

Afr. J. Pharm. Pharmacol.

View full text Add to dashboard Cite

Malaria remains the global public health problem due to the reemergence of drug resistance. There is an urgent need for development of new antimalarial candidates which are effective against resistant malaria parasite. This systematic review evaluates the published research studies that applied in silico modeling during the discovery process of antimalarial drugs. Literature searches were conducted using PubMed, EBSCO, EMBASE, and Web of Science to identify the relevant articles using the search terms "Malaria" "In silico model", "Computer-based drug design", "Antimalarial drug", and "Drug discovery". Only the articles published in English between 2008 and May 2015 were included in the analysis. A total of 17 relevant articles met the search criteria. Most articles are studies specific to Plasmodium falciparum targets; 3 and 1 articles, respectively involve target for P. vivax and liver stage of Plasmodium. Both structure-based and ligand-based approaches were applied to obtain lead antimalarial candidates. Two articles also assessed absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties. Confirmation of activity of the candidate leads by in vitro and/or in vivo assays were reported in some studies. Homology modelling, molecular docking, 2D-or 3D-QSAR and pharmacophore modeling are commonly applied methods. One study used de novo synthesis for lead identification and one study applied phylogenetic analysis for target identification/validation.

show abstract

Observed and modeled effects of pH on bioconcentration of diphenhydramine, a weakly basic pharmaceutical, in fathead minnows

Nichols

Du²,

Berninger³

et al. 2015

Enviro Toxic and Chemistry

View full text Add to dashboard Cite

A need exists to better understand the influence of pH on the uptake and accumulation of ionizable pharmaceuticals in fish. In the present study, fathead minnows were exposed to diphenhydramine (DPH; disassociation constant = 9.1) in water for up to 96 h at 3 nominal pH levels: 6.7, 7.7, and 8.7. In each case, an apparent steady state was reached by 24 h, allowing for direct determination of the bioconcentration factor (BCF), blood-water partitioning (PBW,TOT), and apparent volume of distribution (approximated from the whole-body-plasma concentration ratio). The BCFs and measured PBW,TOT values increased in a nonlinear manner with pH, whereas the volume of distribution remained constant, averaging 3.0 L/kg. The data were then simulated using a model that accounts for acidification of the gill surface caused by elimination of metabolically produced acid. Good agreement between model simulations and measured data was obtained for all tests by assuming that plasma binding of ionized DPH is 16% that of the neutral form. A simpler model, which ignores elimination of metabolically produced acid, performed less well. These findings suggest that pH effects on accumulation of ionizable compounds in fish are best described using a model that accounts for acidification of the gill surface. Moreover, measured plasma binding and volume of distribution data for humans, determined during drug development, may have considerable value for predicting chemical binding behavior in fish.

show abstract

Elucidating the sorption mechanism of “mixed-mode” SPME using the basic drug amphetamine as a model compound

Cited by 22 publications

References 37 publications

Sorption of amitriptyline and amphetamine to mixed-mode solid-phase microextraction in different test conditions

Sorption of amitriptyline and amphetamine to mixed-mode solid-phase microextraction in different test conditions

A systematic review: Application of in silico models for antimalarial drug discovery

Observed and modeled effects of pH on bioconcentration of diphenhydramine, a weakly basic pharmaceutical, in fathead minnows

Contact Info

Product

Resources

About