determination of t,t-muconic acid in urine samples using a ...10.1007...1 analytical and...
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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)