Evaluation of fatty tissue representative solvents in extraction of medical devices for chromatographic analysis of devices’ extractables and leachables based on Abraham general solvation model

Predicting partitioning from low density polyethylene to blood and adipose tissue by linear solvation energy relationship models

“…The aim of this work was to demonstrate that predicted blood/ water partition coefficients and adipose tissue/water partition coefficients are as good or even better in comparison to solvent/ water partition coefficients, whereas different solvents were suggested before as surrogates for blood or adipose tissue. 13,14 We therefore used experimental blood/water partition coefficients and adipose tissue/water partition coefficients from the literature 18 and compared these values to predicted partition coefficients. In the work of Baumer et al, 18 the corresponding partition coefficients were determined using polydimethylsiloxane (PDMS) as a passive sampler, which results in blood/PDMS or adipose tissue/PDMS partitioning first.…”

“…The main advantage of the calculation is that it is much faster and cheaper than an experimental approach using the suggested solvent. In comparison to the suggestion of Li, for example, to use solvents as surrogates, 13,14 the approach further allows for a more detailed analysis of the respective components, which are the main drivers in the partitioning process.…”

“…Li suggested n-butanol as a surrogate for blood 13 and butanone or 1,4-dioxane as surrogates for adipose tissue. 14 His suggestions were based on comparing corresponding phase parameters of linear solvation energy relationship (LSER) equations, which described the solvent/water or solvent/air equilibrium partition coefficient, respectively. The solvent/water partition coefficient K i,S/W (= c i,S /c i,W ) and the polymer/water partition coefficient K i,P/W (= c i,P /c i,W ) can be used to derive polymer/solvent partition coefficient (K i,P/S = K i,P/W /K i,S/W ) by applying the thermodynamic cycle, which depicts the equilibrium situation of the leaching of a chemical from the polymer phase into the solvent phase, that is, the corresponding extraction procedure.…”

“…Further, we compare our LSER results with predictions for solvents, which were suggested in the literature. 13,14 To this end, we selected a set of 26 blood/water partition coefficients and 33 adipose tissue/water partition coefficients, 18 both experimentally determined, where we evaluated the prediction outcomes of the different approaches. Further, to demonstrate the performance of the approach for a large dataset, we apply the workflow to determine blood/LDPE and adipose tissue/LDPE partition coefficients for a dataset of 248 extractables collected by Jenke.…”

“…With respect to MD in contact with the human body, CRM translates, for example, to various tissues, body fluids (e.g., blood) or the skin. To mimic the solubilization strength of a CRM, various concepts are described in literature, for example, related to binary ethanol in water mixtures 11,12 or mono‐solvents 13–15 . The aim of such a solubilization strength alignment is to mimic the partitioning of a chemical i in the polymer/CRM system by a suitable polymer/solvent model system.…”