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Open research questions in Supramolecular Chemistry and Complexes

58 unresolved questions extracted from the limitations and future-work sections of 230 Supramolecular Chemistry and Complexes papers in our library. Each links back to the study that raised it.

What the literature leaves open

  • The failure of time-temperature superposition (TTS) in vitrimers. The difficulty in defining a 'gel point' in dynamic covalent networks. The need to understand the role of entropic barriers in bond rearrangement.

    Unexpectedly large entropic barrier controls bond rearrangements in vitrimers · 2026 · DOI

  • The failure of time-temperature superposition in many polymers, - The lack of understanding of the steric factor, - The complexity of the viscoelastic properties of vitrimers

    Unexpectedly large entropic barrier controls bond rearrangements in vitrimers · 2026 · DOI

  • While significant progress has been made in their synthesis and practical implementation, theoretical studies remain underexplored.

    Entropic forces in rotaxane-based daisy chains: Toward tunable nanomechanical systems · 2025 · DOI

  • The interlocked molecular assemblies are typically identical, and heterointerlocked systems that comprise structurally distinct assemblies remain unexplored.

    Hetero- and Homointerlocked Metal–Organic Cages · 2024 · DOI

  • Further studies on the potential for in vivo applicability of these cages. Investigation of the use of these cages in sensing and imaging applications. Exploration of the use of these cages in applications where reversible switching between different states is required.

    Dynamically assembled photochromic cages operational in water with visible light · 2026 · DOI

  • The need to understand the adaptation mechanisms towards external stimuli at the molecular level. The lack of chemical nanostructures that can mimic the efficient adaptability of complicated biological systems.

    Dynamically assembled photochromic cages operational in water with visible light · 2026 · DOI

  • Importantly, analogous γ‐CD‐mediated 2:2 complexation and associated photophysical features are also observed for a tetraphenylethylene‐based guest, indicating that this binding mode is not limited to a single chromophoric scaffold.

    γ‐Cyclodextrin‐Based 2:2 Host–Guest Complexes With Emergent Circularly Polarized Luminescence · 2026 · DOI

  • Future research could investigate the application of the findings to the design of new materials. Future research could explore the use of energy framework calculations and Hirshfeld surface analysis in other contexts.

    Interplay and cooperativity of non-covalent interactions in water-mediated supramolecular assembly of a 1,2,3-triazole–quinoxalin-2-one derivative · 2026 · DOI

  • Exploring the possibility of extending the principles behind axle-mediated macrocyclization and emergent cooperativity from axle crowding to other interlocked structures and chemical transformations.

    Inverted metal-free active template synthesis of rotaxanes via axle‑mediated macrocyclization · 2026 · DOI

  • The need for a metal-free active template route for rotaxane synthesis. The limitation of traditional passive template strategies for rotaxane synthesis.

    Inverted metal-free active template synthesis of rotaxanes via axle‑mediated macrocyclization · 2026 · DOI

  • Paddlewheel diruthenium complexes have shown promising activity against A{beta}42 aggregation and preformed fibril disaggregation, yet their molecular mode of action remains poorly understood.

    Charge-Driven Fibril Recognition and Covalent Disruption of Aβ42 byPaddlewheel Diruthenium Complexes · 2026 · DOI

  • Further explanation of solvent-dependent dynamics is needed, - Investigation of additional excited state species is required, - Elucidation of the role of the supermonomer in other systems

    Emergent Supermonomer Directs Spatially Separated Triplet Pair Generation in Dynamic Oligomers · 2026 · DOI

  • The lack of understanding of the microscopic mechanism governing the direct generation of spatially separated triplet pairs. The need for a detailed description of the role of polar solvents in dynamically assembling adjacent chromophores. The absence of a comprehensive model for the transformation of the trimer into a functional supermonomer-monomer quasi-heterodimer.

    Emergent Supermonomer Directs Spatially Separated Triplet Pair Generation in Dynamic Oligomers · 2026 · DOI

  • Limited understanding of how to generate non-linear, cascading behavior in droplet swarms. Lack of methods to combine photo-activation with synergistic solvation of surfactants.

    Photo‐Activated Merging Cascades in Droplet Swarms Upon Synergistic Solvation of Surfactants · 2026 · DOI

  • Further studies could investigate the effects of varying kinetic parameters on the system's behavior, - The development of more complex models that incorporate additional factors, such as hydrodynamic interactions or external fields, - Experimental verification of the predicted spatiotemporal patterns and traveling waves

    Reaction–Transport Coupling Drives Spatiotemporal Organization in Fuel‐Driven Supramolecular Polymerization · 2026 · DOI

  • Lack of a minimal mechanistic framework to capture the emergence of spatiotemporal order. Insufficient understanding of the interplay between reaction kinetics and state-dependent mobility.

    Reaction–Transport Coupling Drives Spatiotemporal Organization in Fuel‐Driven Supramolecular Polymerization · 2026 · DOI

  • Lack of structural information for the ssDNA-motor conjugate. Difficulty in modeling the conjugate due to the absence of structural information. Need for a novel approach to control nucleic acid function without relying on chemical masking.

    Mechanical Caging of Nucleic Acids Enabled by Light‐Activated Synthetic Molecular Motors · 2026 · DOI

  • Lack of structural information for the ssDNA-motor conjugate, - Simulation-only approach for modeling the conjugate, - Limited to a specific type of molecular motor and ssDNA sequence

    Mechanical Caging of Nucleic Acids Enabled by Light‐Activated Synthetic Molecular Motors · 2026 · DOI

  • Further study of the potential applications of molecular pumpkins. Exploration of the use of molecular pumpkins in a variety of fields. Development of new techniques for using molecular pumpkins to speed up reactions.

    Molecular “Pumpkins” That Trap Molecules and Speed Up Reactions · 2026 · DOI

  • The need for a new technique for speeding up reactions. The lack of understanding of how molecular pumpkins can be used to mimic enzymes and design better reactions.

    Molecular “Pumpkins” That Trap Molecules and Speed Up Reactions · 2026 · DOI

  • Biological and medical applications of MIMs are identified as a future direction, but specific concerns regarding biocompatibility, long-term effects in biological systems, cellular uptake mechanisms, and toxicity profiles of mechanically interlocked molecules in living organisms have not been systematically addressed.

    The Burgeoning of Mechanically Interlocked Molecules in Chemistry · 2019 · DOI

  • The design of autonomous molecular machines with multiple integrated MIM types operating multiresponsively remains largely unexplored; there is no systematic framework presented for combining different mechanically interlocked architectures to achieve programmable, sequential behavior mimicking natural molecular machines.

    The Burgeoning of Mechanically Interlocked Molecules in Chemistry · 2019 · DOI

  • The need to understand the relationships between the different steric programs of the ligands. The challenge of implementing covalent and supramolecular dynamics within a single system. The difficulty of designing new chemical systems with dynamic properties.

    From Coordination Chemistry to Adaptive Chemistry · 2018 · DOI

  • The exploration of the chemical space generated by the noncovalent interactions holding together the distinct molecular building blocks of complex and functional chemical systems. The development of new chemical systems with dynamic properties. The potential application of adaptive chemistry in various fields.

    From Coordination Chemistry to Adaptive Chemistry · 2018 · DOI

  • Exploration of the potential applications of Constitutional Dynamic Chemistry (CDC). Development of new approaches and techniques for CDC. -

    Constitutional Dynamic Chemistry: Bridge from Supramolecular Chemistry to Adaptive Chemistry · 2011 · DOI

Most-cited papers in Supramolecular Chemistry and Complexes

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58 open questions have been extracted from the limitations and future-work passages of 230 Supramolecular Chemistry and Complexes papers in our 4.5M-paper local library. Each one below links back to the study that raised it, so you can read the original claim in context.

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