ArticleChemical science2016
The true nature of rotary movements in rotaxanes.
Article in Chemical science, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
5 citing papers in PubMed.
- Discovering Reaction Pathways, Slow Variables, and Committor Probabilities with Machine Learning.Journal of chemical theory and computation · 2023Article
- Rotaxane nanomachines in future molecular electronics.Nanoscale advances · 2022Review
- Vibrational circular dichroism spectroscopy for probing the expression of chirality in mechanically planar chiral rotaxanes.Chemical science · 2020Article
- The lubricating role of water in the shuttling of rotaxanes.Chemical science · 2017Article
- Methodology for the Simulation of Molecular Motors at Different Scales.The journal of physical chemistry. B · 2017Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Disentangling the different movements observed in rotaxanes is critical to characterize their function as molecular and biological motors. How to achieve unidirectional rotation is an important question for successful construction of a highly efficient molecular motor. The motions within a rotaxane composed of a benzylic amide ring threaded on a fumaramide moiety were investigated employing atomistic molecular dynamics simulations. The free-energy profiles describing the rotational process of the ring about the thread were determined from multi-microsecond simulations. Comparing the theoretical free-energy barriers with their experimental counterpart, the
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Registered trials
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