A cyclodextrin-based reagent for cis/trans-geometrical isomers separation by mobility measurements and chemical calculations

Identification of cis/ trans -carbon–carbon double-bond (C C) isomers remain challenging. Herein, a simple and rapid method for the separation and analysis of cis/ trans -maleic acid (MA) and aconitic acid (AA) using Trapped Ion Mobility Spectrometry (TIMS) was developed. α-, β-, γ-cyclodextrin (CD) were served as the separation reagent, slight difference in mobility separation was obtained by [CD-MA/AA-H] - . Specially, with the addition of divalent metal ion (G 2+ ) as coordination metal ion, the separation effect was much increased by [CD-MA/AA + G-H] + , and α-CD has better mobility separation effect than β-/γ-CD. Moreover, chemical calculations revealed the binary and ternary complexes are in the inclusion forms, and microscopic interactions between cis/ trans -MA/AA, CDs, and G 2+ are somewhat different that making their mobility separation. Finally, quantifications of cis/ trans -isomers were analyzed in food samples, with good linearity (R 2  > 0.99) and recoveries obtained from 87.25 % to 100.73 %.