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- W3208979306 abstract "The rational design of conformationally controlled foldable modules can lead to a deeper insight into the conformational space of complex biological molecules where non-covalent interactions such as hydrogen bonding and π-stacking are known to play a pivotal role. Squaramides are known to have excellent hydrogen bonding capabilities and hence, are ideal molecules for designing foldable modules that can mimic the secondary structures of bio-molecules. The π-stacking induced folding of bis-squaraines tethered using aliphatic primary and secondary-diamine linkers of varying length is explored with a simple strategy of invoking small perturbations involving the length linkers and degree of substitution. Solution phase NMR investigations in combination with molecular dynamics simulations suggest that bis-squaraines predominantly exist as extended conformations. Structures elucidated by X-ray crystallography confirmed a variety of folded and extended secondary conformations including hairpin turns and 𝛽-sheets which are determined by the hierarchy of π-stacking relative to N–H···O hydrogen bonds." @default.
- W3208979306 created "2021-11-08" @default.
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- W3208979306 date "2020-10-05" @default.
- W3208979306 modified "2023-09-27" @default.
- W3208979306 title "Hierarchy of π-Stacking Determines the Conformational Preference of Bis-Squaraines" @default.
- W3208979306 doi "https://doi.org/10.26434/chemrxiv.13041830.v1" @default.
- W3208979306 hasPublicationYear "2020" @default.
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