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- W3194517206 abstract "The rapid identification of chemical species of interest, particularly for those are structurally similar, is still very challenging. We report here a new strategy for molecular differentiation and fingerprinting, utilizing the diversity in conformational distribution of hosts upon encapsulating different guests. With a cage as an example, we show that the coefficients of conformational distribution can be used for rapidly differentiating guest molecules with similar structures; furthermore, the coefficients can be used along with the 1H NMR chemical shifts of the complexes to provide a two- or multiple-dimensional parameter to efficiently fingerprint molecules, which can be utilized further for identifying analytes. A distinct feature of this strategy is that it focuses on only the molar ratio of different host stereoisomers, technically ignoring other complexation details thus greatly simplifying the comparisons/identifications to provide a promising tool for rapid species detection/identification in the fields of pharmaceuticals analysis, environmental monitoring, and more." @default.
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- W3194517206 date "2021-01-01" @default.
- W3194517206 modified "2023-10-16" @default.
- W3194517206 title "Molecular Differentiation and Fingerprinting Based on the Conformational Diversity of Cage" @default.
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- W3194517206 doi "https://doi.org/10.2139/ssrn.3906180" @default.
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