Supramolecular chemistry articles within Nature Communications

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  • Article
    | Open Access

    Developing theoretical frameworks to predict new polymorphs is highly desirable. Here the authors present an ab initio based force-field approach for crystal structure prediction offering a dramatic computational speed-up over fully ab initio schemes.

    • Rahul Nikhar
    •  & Krzysztof Szalewicz
  • Article
    | Open Access

    Organic luminescent materials attract attention due to their wide application range, but many organic luminogens suffer from severe quenching effect in the aggregate state. Here, the authors demonstrate a macrocyclization induced emission enhancement by linking luminophores through methylene bridges to give a macrocycle.

    • Shuo Li
    • , Kun Liu
    •  & Chunju Li
  • Article
    | Open Access

    The synthesis of atomically precise gold nanoclusters is highly desired for fundamental studies and applications. Here, the authors report the formation of a superfluorinated gold nanocluster stabilized by a multi-branched highly fluorinated thiol ligand, and characterize its crystal structure and molecule-like spectroscopic properties.

    • Claudia Pigliacelli
    • , Angela Acocella
    •  & Giancarlo Terraneo
  • Article
    | Open Access

    It is difficult to achieve spatiotemporal control over chemical cascade reactions. Here, the authors report on the generation of transient domains in an aqueous medium using sound induced liquid vibrations allowing for control of chemical gradients and patterns and use this to pattern nanoparticles in hydrogels.

    • Prabhu Dhasaiyan
    • , Tanwistha Ghosh
    •  & Kimoon Kim
  • Article
    | Open Access

    The dynamic structure of supramolecular polymers is challenging to determine both in experiments and in simulations. Here the authors use coarse-grained molecular models to provide a comprehensive analysis of the molecular communication in these complex molecular systems.

    • Martina Crippa
    • , Claudio Perego
    •  & Giovanni M. Pavan
  • Article
    | Open Access

    The preparation of materials that display macro-mechanical responses to external stimuli is challenging. Here, the authors synthesize metal-organic rotaxane frameworks that contain photoactive axles as linkers; light irradiation triggers photodimerization of the ligands, which leads to macroscopic photomechanical bending of individual bulk crystals.

    • Jun-shan Geng
    • , Lei Mei
    •  & Wei-qun Shi
  • Article
    | Open Access

    Being able to control motion at the molecular level is vital for many future developments in the molecular sciences. Here, the authors report the controlled forward and backward rotation of a molecular motor guided by external stimuli.

    • L. Pfeifer
    • , S. Crespi
    •  & B. L. Feringa
  • Article
    | Open Access

    Modifying the reactivity of substrates by encapsulation is essential for microenvironment catalysts. Herein, the authors report an alternative strategy that modifies the entry behaviour of reactants and substrates to control the electron injection kinetics, thus affecting the selectivity of nitroarene photoreductions.

    • Yang Yang
    • , Xu Jing
    •  & Chunying Duan
  • Article
    | Open Access

    Molecularly thin films are important in material sciences but their use in a wide range of applications requires control over their chemical functionalities, which is difficult to achieve. Here, the authors use decacyclene to form such freestanding and mechanically stable molecular films held together by supramolecular interactions without requiring covalent crosslinking of any kind

    • Alex van der Ham
    • , Xue Liu
    •  & Grégory F. Schneider
  • Article
    | Open Access

    In field, visual, chemical detection is of use for a wide range of possible applications. Here, the authors report on the creation of a host-guest liquid gating mechanism where detection of the target host triggers gate opening allowing for gas through the liquid gate, which can be used for visual detection.

    • Huimeng Wang
    • , Yi Fan
    •  & Xu Hou
  • Article
    | Open Access

    Switchable hydrogen-bonded frameworks have potential applications in the development of smart materials. Herein, the authors report eleven hydrogen-bonded organic frameworks and two non-porous structures that can undergo reversible structural and fluorescence switching; white-light emission is enabled.

    • Yadong Shi
    • , Shuodong Wang
    •  & Ben Zhong Tang
  • Article
    | Open Access

    External physical forces can bias a spontaneous symmetry breaking process but whether the shape of a reactor plays a role in chiral symmetry breaking processes is an open question. Here, the authors demonstrate chirality transfer from the chiral shape of a 3D helical channel to chiral supramolecular aggregates whereby the handedness of the helical channel dictates the direction of enantioselection.

    • Semih Sevim
    • , Alessandro Sorrenti
    •  & Josep Puigmartí-Luis
  • Article
    | Open Access

    Synthesized or self-assembled helical architectures advance the development of chiral functional materials. Here the authors report a selective-recognized and chirality-matched co-assembly strategy for the fabrication of fluorescent π-amino acids into double helical π-aggregates with exceptional strong circularly polarized luminescence

    • Yuan Wang
    • , Dian Niu
    •  & Minghua Liu
  • Article
    | Open Access

    Constructing cross-linked networks with different topologies is attractive but challenging. Here the authors present mechanically interlocked networks cross-linked by a molecular necklace whose peculiar architectural and dynamic features endow the materials with robust yet mechanically adaptive properties.

    • Zhaoming Zhang
    • , Jun Zhao
    •  & Xuzhou Yan
  • Article
    | Open Access

    Fabrication of perovskite-polymer composites that simultaneously possesses strong mechanical strength, high stretchability, high stability towards harsh aqueous environments and self-healing properties is challenging. Here, the authors report a luminescent composite that is simultaneously transparent, tough and can autonomously self-heal in both dry and wet conditions.

    • Yuncong Liu
    • , Tao Chen
    •  & Chao Wang
  • Article
    | Open Access

    G-wire structures have potential applications in bio-nanotechnology, however, this is limited by a lack of understanding about the assembly process and structures formed. Here, the authors use nuclear magnetic resonance and molecular dynamic simulations to understand the guiding principles of G-wire assembly.

    • Daša Pavc
    • , Nerea Sebastian
    •  & Primož Šket
  • Article
    | Open Access

    Gaining control over the structure of metal organic–frameworks can be challenging. Here the authors report the modulation of the spatial distribution of mixed building blocks in a metal–organic framework from a uniform to a core–shell distribution; temperature control plays a crucial role.

    • Seok Jeong
    • , Junmo Seong
    •  & Myoung Soo Lah
  • Article
    | Open Access

    All-organic perovskites exhibit structural tunability and solution-processability, but are disadvantaged by a lower coercive field compared to inorganic ones. Here, the authors demonstrate that modulating hydrogen bond strength in such perovskites can generate a large coercive field.

    • Hwa Seob Choi
    • , Shunning Li
    •  & Kian Ping Loh
  • Article
    | Open Access

    Here, the authors report the functionalization of monolayer transition metal dichalcogenides with hydrogen-bonded 2D supramolecular networks of cyanuric acid and melamine, leading to a pronounced n-doping effect and enhancement of MoS2 catalytic activity for hydrogen evolution reactions.

    • Can Wang
    • , Rafael Furlan de Oliveira
    •  & Paolo Samorì
  • Article
    | Open Access

    The development of complex molecular machinery requires a detailed appreciation of the factors that control energy pathways through the nanoscale scaffold. Here, the authors demonstrate that hetero-rotaxanes can be employed to create assemblies of different redox and photo-active components that enable selective tuning of energy transfer pathways.

    • Nicholas Pearce
    • , Katherine E. A. Reynolds
    •  & Neil R. Champness
  • Article
    | Open Access

    A 3D‐ordered liquid crystal phase of regular right and left helically twisted columns self‐assembles from straight‐ and bent‐rod molecules. Here calculations indicate that, among four alternative models, the observed complex Fddd structure provides the lowest packing energy for twisted ribbons.

    • Ya-xin Li
    • , Hong-fei Gao
    •  & Goran Ungar
  • Article
    | Open Access

    Reversible assembly of supramolecular polymers renders these materials with healing and recycling properties but mechanical properties are often inferior to those of conventional plastics. Here, the authors demonstrate that strong and tough but healable materials can be accessed through the combination of metallosupramolecular polymers with complementary mechanical properties that feature the same metal-ligand complex as binding motif

    • Julien Sautaux
    • , Franziska Marx
    •  & Stephen Schrettl
  • Article
    | Open Access

    Controlling multicomponent systems is difficult due to convoluted behavior, pathway complexity, and coupled equilibria. Here the authors showed modulation of aggregate morphology in a zinc porphyrin-based supramolecular system via judicious capping with a manganese porphyrin monomer, in which the monomer’s chirality can influence the supramolecular behavior.

    • Elisabeth Weyandt
    • , Luigi Leanza
    •  & E. W. Meijer
  • Article
    | Open Access

    Quantification of supramolecular host–guest interactions is important for modulating supramolecular systems but accurately evaluating the adhesion energies of host–guest pairs remains challenging. Here, the authors directly quantify the interaction energies between cyclodextrin modified surfaces and ditopic adamantane using a surface force apparatus.

    • Jintae Park
    • , Jinwoo Park
    •  & Dong Woog Lee
  • Article
    | Open Access

    Hydrogen-bonded inorganic frameworks are porous structures that may lead to novel materials with unprecedented properties and functionalities. Here the authors report the solid-state structures of orthosilicic acid-based hydrogen-bonded inorganic frameworks that can encapsulate small unsaturated cyclic molecules such as benzene, which are found stacked in parallel.

    • Masayasu Igarashi
    • , Takeshi Nozawa
    •  & Kazuhiko Sato
  • Article
    | Open Access

    The development of a drug delivery system capable of prolonged retention in the gastrointestinal tract remains a clinical challenge. Here the authors present a bio-adhesive liquid coacervate coating on the intestinal tract that acts as a flowable drug carrier, mediates the sustained release of diverse drugs, and potentially enhances therapeutic efficacy against gastrointestinal diseases.

    • Pengchao Zhao
    • , Xianfeng Xia
    •  & Liming Bian
  • Article
    | Open Access

    Hierarchically ordered chiral crystals have attracted intense research efforts but the need of enantiomeric pure building blocks and difficulties in the precise control of chirality transfer poses a barrier to their application. Here, the authors describe a process which allows preferred formation of one enantiomorph from a racemic solution and the specific oriented attachment of this enantiomorph by balancing stereoselective and non stereoselective interactions.

    • Xichong Ye
    • , Bowen Li
    •  & Xinhua Wan
  • Article
    | Open Access

    Fluorescent imaging in the second biological window has advantages for in vivo applications. Here, the authors synthesise a molecular nanoprobe which activates upon binding H2O2, generating both strong fluorescent NIR-II emission and ultrasound signal for multi-mode imaging of inflammatory diseases.

    • Junjie Chen
    • , Longqi Chen
    •  & Yanli Zhao
  • Article
    | Open Access

    The extracellular matrix contributes to tissue regeneration by binding and releasing growth factors. Here the authors present the jigsaw-shaped self-assembling peptide JigSAP as an artificial ECM and show that VEGF-JigSAP has therapeutic effects on the subacute-chronic phase of brain stroke.

    • Atsuya Yaguchi
    • , Mio Oshikawa
    •  & Itsuki Ajioka
  • Article
    | Open Access

    Tiny movable components could generate macroscopic mechanical motion if precise coherent operation can be exerted simultaneously. Here, the authors demonstrate this by using 10^10 pieces of colloidally dispersed nanosheets to generate wave under non-equilibrium state.

    • Koki Sano
    • , Xiang Wang
    •  & Takuzo Aida
  • Article
    | Open Access

    One-dimensional (1D) supramolecular polymers are commonly found in natural and synthetic systems but very little is currently known about the physico-chemical consequences and functional role of 1D supramolecular polymerisation confined in aqueous compartments. Here, the authors describe the different phenomena that resulted from the chemically triggered supramolecular fibrillation of synthetic peptide amphiphiles inside water microdroplets.

    • Richard Booth
    • , Ignacio Insua
    •  & Javier Montenegro
  • Article
    | Open Access

    Supramolecular tessellation has gained increasing interest in supramolecular chemistry for its structural aesthetics and potential applications in optics, magnetics and catalysis. Here, the authors expand the examples of molecular building blocks for supramolecular tessellation and fabricate supramolecular tessellations using the exo-wall interactions of pagoda[4]arene.

    • Xiao-Ni Han
    • , Ying Han
    •  & Chuan-Feng Chen
  • Article
    | Open Access

    ‘Fluorescent chemisensors with fast response time and pronounced luminescence variation are important but have not been well investigated for self-assembled chiral systems. Here, the authors present a coassembled multiple component system that responds to SO2 derivatives, giving rise to dynamic aggregation behaviors and switchable luminescence as well as circularly polarized luminescence.

    • Qiuhong Cheng
    • , Aiyou Hao
    •  & Pengyao Xing
  • Article
    | Open Access

    The separation of metals from electronic waste is an enduring technological and societal challenge, and new metal extraction, refining and recycling solutions are needed. Here the authors report a recyclable and tuneable chemical reagent that separates valuable metals such as gold by direct and selective precipitation from various acidic, mixed-metal solutions of relevance to extraction and recycling industries.

    • Luke M. M. Kinsman
    • , Bryne T. Ngwenya
    •  & Jason B. Love
  • Article
    | Open Access

    The preparation of nanocages with unprecedented architectures may lead to new functions. Here the authors report the self-assembly of organic cages featuring twin cavities; the geometry and pocket size determine the molecular packing and the proton conductivity performance.

    • Zhenyu Yang
    • , Chunyang Yu
    •  & Shaodong Zhang
  • Article
    | Open Access

    Experimental determination of new cocrystals remains challenging due to the need of a systematic screening with a large range of coformers. Here the authors develop a flexible deep learning framework based on graph neural network demonstrated to quickly predict the formation of co-crystals.

    • Yuanyuan Jiang
    • , Zongwei Yang
    •  & Xuemei Pu
  • Article
    | Open Access

    Coacervate droplets (CDs) are a model for protocells formed by liquid-liquid phase separation (LLPS), but protocell models able to proliferate remain undeveloped. Here, the authors report a proliferating peptide-based CD using synthesised amino acid thioesters as monomers, which could concentrate RNA and lipids, enabling RNA to protect the droplet from dissolution by lipids.

    • Muneyuki Matsuo
    •  & Kensuke Kurihara
  • Article
    | Open Access

    Encapsulating large and contorted nanographenes inside artificial receptors remain challenging. This work reports the synthesis, characterization and binding properties of a trigonal prismatic cage compound that can serve as a receptor for contorted nanographene derivatives.

    • Huang Wu
    • , Yu Wang
    •  & J. Fraser Stoddart
  • Article
    | Open Access

    Mechanical motions in hybrid sp2/sp3 -hybrid nanocarbon peapods might lead to promising materials applications, but have been insufficiently explored. Here the authors demonstrate that a diamondoid molecule trapped inside a carbonaceous cylinder undergoes solid-state rotations at terahertz frequencies.

    • Taisuke Matsuno
    • , Seiya Terasaki
    •  & Hiroyuki Isobe
  • Article
    | Open Access

    Tetrel bonds are noncovalent interactions between electron donors and group 14 elements; in these situations, C(sp3) atoms can act as Lewis acids, accepting electron density. Here, the authors show that methyl groups, when bound to atoms less electronegative than carbon, can participate in noncovalent interactions as electron density donors.

    • Oliver Loveday
    •  & Jorge Echeverría