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Etude des phénomènes de sorption entre médicaments et dispositifs médicaux de la perfusion : approche empirique et fondamentale par simulation moléculaire

Abstract : When infusing drugs via polymer based medical devices (MD), sorption phenomena can induce a loss of active pharmaceutical ingredient (API) and thus the risk of not administering the right dose to the patient, inducing then a decrease or even loss of therapeutic activity. The aim of this work was first to experimentally study the interactions of three API (diazepam, paracetamol and insulin) with MD alone and with MD within a complete infusion setup composed of a syringe, an extension and a catheter. API concentration was assessed by liquid chromatography and materials were characterized by infrared spectroscopy and surface zeta potential measurements. In a second time, the interactions between two materials (Polyvinyl chloride and Polyethylene) and two API (paracetamol and diazepam) were simulated by molecular dynamics methods. This work allowed highlighting losses of API by sorption in contact with each of the MD. Some materials appeared to be more at risk of sorption (Polyvinyl chloride, Polyurethane, Silicone) than others (Polyethylene, Styrene-Ethylene-Butadiene-Styrene). For the complete setup, even if some improvements are possible with commercially available extension sets, the situation is more difficult in the case of catheters since the choice of existing materials is limited. Material surface analysis methods have provided new elements for a better understanding of the phenomena at the material/drug interface. Then, the use of simulation of interactions by molecular dynamics in the study of sorption phenomena was a novel approach and abled to highlight phenomena that were difficult to obtain experimentally. Particularly, this technique allowed to follow the position of the API with respect to the surface of the material, and the calculation of PMF to differentiate absorption and adsorption phenomena.
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Submitted on : Thursday, September 3, 2020 - 9:44:55 AM
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  • HAL Id : tel-02928982, version 1

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Nicolas Tokhadzé. Etude des phénomènes de sorption entre médicaments et dispositifs médicaux de la perfusion : approche empirique et fondamentale par simulation moléculaire. Santé. Université Clermont Auvergne, 2020. Français. ⟨NNT : 2020CLFAC006⟩. ⟨tel-02928982⟩

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