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Towards Rational Biosurfactant Design—Predicting Solubilization in Rhamnolipid Solutions

Abstract

The efficiency of micellar solubilization is dictated inter alia by the properties of the solubilizate, the type of surfactant, and environmental conditions of the process. We, therefore, hypothesized that using the descriptors of the aforementioned features we can predict the solubilization efficiency, expressed as molar solubilization ratio (MSR). In other words, we aimed at creating a model to find the optimal surfactant and environmental conditions in order to solubilize the substance of interest (oil, drug, etc.). We focused specifically on the solubilization in biosurfactant solutions. We collected data from literature covering the last 38 years and supplemented them with our experimental data for different biosurfactant preparations. Evolutionary algorithm (EA) and kernel support vector machines (KSVM) were used to create predictive relationships. The descriptors of biosurfactant (logPBS, measure of purity), solubilizate (logPsol, molecular volume), and descriptors of conditions of the measurement (T and pH) were used for modelling. We have shown that the MSR can be successfully predicted using EAs, with a mean R2val of 0.773 ± 0.052. The parameters influencing the solubilization efficiency were ranked upon their significance. This represents the first attempt in literature to predict the MSR with the MSR calculator delivered as a result of our research.

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Category:
Articles
Type:
artykuły w czasopismach
Published in:
MOLECULES no. 26,
ISSN: 1420-3049
Language:
English
Publication year:
2021
Bibliographic description:
Kłosowska-Chomiczewska I., Kotewicz-Siudowska A., Artichowicz W., Macierzanka A., Głowacz-Różyńska A., Szumała P., Mędrzycka K., Hallmann E., Karpenko E., Jungnickel C.: Towards Rational Biosurfactant Design—Predicting Solubilization in Rhamnolipid Solutions// MOLECULES -Vol. 26,iss. 3 (2021), s.534-
DOI:
Digital Object Identifier (open in new tab) 10.3390/molecules26030534
Sources of funding:
Verified by:
Gdańsk University of Technology

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