Approach for simultaneous cannabidiol isolation and pesticide removal from hemp extracts with liquid-liquid chromatography
| Autor: | Simon Roehrer, Mirjana Minceva, Karin Kleigrewe, Simon Vlad Luca |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
0106 biological sciences
Chromatography Liquid-liquid chromatography 010405 organic chemistry Pesticide 01 natural sciences 0104 chemical sciences ddc Partition coefficient chemistry.chemical_compound chemistry Acetone medicine Methanol Acetonitrile Ternary operation Agronomy and Crop Science Cannabidiol 010606 plant biology & botany medicine.drug |
| Popis: | In this work, a computer-aided approach for selecting biphasic solvent systems for simultaneous cannabidiol (CBD) isolation and pesticide removal from hemp extracts with liquid-liquid chromatography (LLC) was investigated. By taking advantage of a fully predictive thermodynamic model (COSMO-RS), a considerable number of ternary solvent systems were screened and potential systems were identified with practically no experimental effort; the partition coefficient of the target component CBD was used as screening parameter. After the experimental validation, three solvent systems were chosen: solvent system I: n-heptane/methanol/water 4/3/1 v/v/v, solvent system II: n-heptane/acetone/water 2/5/1 v/v/v and solvent system III: n-heptane/acetonitrile/water 5/3/2 v/v/v. The 59 pesticides regulated by the state of Oregon in cannabis products were included in the next step with the aim to propose a classification system of the most critical pesticides for obtaining pesticide-free CBD. Based on CBD/pesticide separation factors (αCBD/PEST), four critical levels were defined. Depending on the solvent system, it was shown that 50–70 % of the Oregon-listed pesticides were found to be non-critical (αCBD/PEST > 4), while only 13–22 % were retrieved as highly and medium critical (αCBD/PEST |
| Databáze: | OpenAIRE |
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