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 Analytical and Bioanalytical Chemistry

Electronic Supplementary Material

Determination of t,t-muconic acid in urine samples using a molecular imprinted polymer

combined with simultaneous ethyl chloroformate derivatization and pre-concentration by

dispersive liquid–liquid microextraction

Mohana Krishna Reddy Mudiam, Abhishek Chauhan, Krishna P Singh, Shailendra K Gupta, Rajeev Jain,

Ratnasekhar Ch, R C Murthy

 

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Fig. S1. The partial charges obtained by molecular modelling of atoms on the (A) t,t-MA molecule (B) 4-vinylpyridine (C) Itaconic acid (D) methacrylic acid (E) acrylamide. Nitrogen = blue, carbon = grey, oxygen = red, hydrogen = white. Hydrogen’s are shown in white and always have partial charges between 0.1 and 0.36

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Fig. S2. The Material Studio 5.0 derived structure of the complex formed between t,t-MA molecule and five molecules of MAA. The presence of hydrogen bond is indicated by the dashed blue lines. (MAA = methacrylic acid) 

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Fig. S3. Mass spectra of t,t-MA-ECF derivative (m/z 198)