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Synthesis of thiomers: Screening and optimization using chemometrics

Abstract

A chemometric study of the processing variables involved in the synthesis of thiomers based on poly(acrylic acid) functionalized with L-cysteine (PAA-cys) mediated by carbodiimide was successfully carried out. Immobilization of thiol groups in the polymer chain was confirmed by FTIR and TGA analysis. In order to obtain PAA-cys conjugates with a maximum immobilized thiol groups content, a two-step approach by using design of experiments was performed. First, a two-level screening Plackett-Burman design was used to identify the most important processing variables: X1 PAA molecular weight; X2 concentration of PAA; X3 concentration of carbodiimide; X4 concentration of L-cysteine; X5 activation time for carbodiimide; and X6 reaction time. Secondly, a five-level D-optimal design was carried out in order to find the optimal levels of the most important variables to obtain the maximum thiol groups content. Both screening and optimization models were ANOVA validated (P < 0.05) with a goodness of the model R2 > 0.980 and a goodness of prediction Q2 > 0.948. The optimized formulation presented 2442.2 µmol SH/g thiomer, achieving ~215% more than the maximum amount reported in previous works performed by univariate approach. Also, the optimized PAA-cys conjugate achieved ~5-fold more water uptake which is directly correlated with mucoadhesiveness.

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Publication details

The article was received on 28 Nov 2017, accepted on 10 Feb 2018 and first published on 12 Feb 2018


Article type: Paper
DOI: 10.1039/C7NJ04644H
Citation: New J. Chem., 2018, Accepted Manuscript
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    Synthesis of thiomers: Screening and optimization using chemometrics

    V. H. Campos-Requena and S. Gómez, New J. Chem., 2018, Accepted Manuscript , DOI: 10.1039/C7NJ04644H

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