The tightness is one of the basic parameter (factor) of knots which affects the properties of knotted structures, like their stability, their geometrical properties, tension and load carrying capacity. It also significantly changes the physical properties of a knotted polymer, as well as the thermal stability of knotted proteins. Numerous advanced mathematical methods are prepared to access the tightness of knots through various parameters, such as writhes, number of crossings, backbone crossing ration, and global radius of curvature. To date, there is however no simple established method to access the tightness of molecular knots. The tightest molecular 8.19 knot has been recently reported by Leigh and co-workers. Using the same strategy, we synthesized three 8.19 knots with different tightness. With this set of molecular knots, we assessed for the first time the experimental consequences of knot tightness by <sup>1</sup>H-NMR, DOSY, CD, CID-MS and MD simulations. As for the macroscopic world, the understanding of knot tightness on molecular level is crucial when designing applications of knotting in molecular tools and materials.

Probing the implications of tightness on molecular knot

254th National Meeting (2017)

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