Terminology and nomenclature for macromolecular rotaxanes and pseudorotaxanes (IUPAC Recommendations 2012)

Abstract

This document provides (i) definitions of terms related to macromolecular rotaxanes and macromolecular pseudorotaxanes and (ii) recommendations for naming these macromolecular assemblies. The nomenclature recommendations presented here have been developed by combining the nomenclature rules for the low-molar-mass (low-M) rotaxanes and those for macromolecules (both established in published IUPAC recommendations) in such a way that the developed nomenclature system provides unambiguous names for macromolecular rotaxanes (and pseudorotaxanes), including differentiation among various isomers of these supramolecular assemblies. Application of the nomenclature recommendations is illustrated using examples covering a wide range of structure types of macromolecular rotaxanes and pseudorotaxanes. An Alphabetical Index of Terms and a List of Abbreviations and Prefixes are included.

Daisy Chain Rotaxanes Made from Interlocked DNA Nanostructures

“… A stable, hybridized dsDNA daisy chain rotaxane (DCR hyb ) . a) Two different designs of DCR hyb in which the macrocycles are hybridized to the axles (dotted lines encircling both gap regions).…”

“…The structures shown in lanes 4 and 5, respectively, were deposited onto mica using the adhesive poly‐ l ‐ornithine. Figure c, d shows the high‐resolution AFM images acquired at the solid/liquid interface of mechanically interlocked 126R1/126R2 and 126X/126Y DCR mec species (for additional overview images, see Figure S7a, b) . For native DCR mec , the spherical stoppers and the interlocked DCR motifs are both clearly resolved.…”

“…RodX has a 9‐mer ss region complementary to 9 nt of the 15‐mer gap in 126Y and vice versa for the rodY/126X‐pair (Figure a; Figure S1 and Table S1). When equimolar ratios of 126R1/126R2 or 126X/126Y are incubated at 15 °C, the two complementary ss gaps in the macrocycles and the axles hybridize with their respective counterpart to result in a pseudo‐DCR with hybridized and thus immobile macrocycles . In 126R1/126R2, each of the rods terminates with identical 5 nt overhangs; in 126X/126Y they terminate with two different sticky ends.…”

“… Different threading states lead to partial interlocking. a) Example of one possible form generated during the assembly of DCR hyb : a pseudo‐DCR, where the tail gap of 126R1 hybridizes externally, i.e., without interlocking to the ring gap in 126R2. Steps 1 and 2: successive addition of the corresponding rODNs to release the hybridized gaps leads to a semi‐interlocked pseudo‐DCR, which dethreads in a slippage process, giving rise to the dumbbells.…”

One Pot Synthesis of a Polyisoprene Polyrotaxane and Conversion to a Slide‐Ring Gel

“…A polyrotaxane, also called a macromolecular rotaxane, is a fascinating supramolecular polymeric entity in which rings are threaded onto a polymer and the dissociation of these rings is prevented by bulky groups on the polymer . Both main chain polyrotaxanes and side‐chain polyrotaxanes are known.…”