Image: Laura Riccardi Design: Rachael Tremlett

Medicinal metal–ligand interactions

Sophisticated computational approaches are now paving the way for the development of potent metallodrugs and metalloenzyme inhibitors.

Latest Reviews

  • Review Article |

    Proteins, DNA and RNA can be used to build functional nanostructures. This Review compares protein and DNA/RNA in terms of biochemical properties and ease of engineering in three major areas of application: biomolecular recognition, biocatalysis and structural support.

    • Genevieve C. Pugh
    • , Jonathan R. Burns
    •  & Stefan Howorka
  • Review Article |

    This Review describes excited-state intramolecular proton-transfer (ESIPT) reactions with amines as proton donors. Systematic variation of N−H bond strength, acidity and reaction rate enables ESIPT kinetics and thermodynamics to be correlated and new molecules to be designed for sensing and optoelectronics applications.

    • Chi-Lin Chen
    • , Yi-Ting Chen
    • , Alexander P. Demchenko
    •  & Pi-Tai Chou
  • Perspective |

    Metal–ligand interactions are attracting growing attention for the design of new drugs. Current simulation approaches help us gain deep atomistic understanding of the metal–ligand interactions for the discovery and development of potent metalloenzyme inhibitors and metallodrugs.

    • Laura Riccardi
    • , Vito Genna
    •  & Marco De Vivo
  • Perspective |

    Ultrafast X-ray spectroscopies enable the investigation of fast chemical dynamics with time resolutions reaching the order of attoseconds. Processes such as spin crossover, structural deformations in excited states and dissociation reactions can now be studied through the use of short X-ray pulses produced by high-harmonic, free-electron-laser and synchrotron sources.

    • Peter M. Kraus
    • , Michael Zürch
    • , Scott K. Cushing
    • , Daniel M. Neumark
    •  & Stephen R. Leone
  • Review Article |

    The union of theory in chemical ecology with modern methods in chemistry has enhanced our understanding of phytochemical variation among and within plants. This Review outlines these theoretical frameworks and approaches for hypothesis testing, with a focus on chemically mediated plant–insect interactions.

    • Lee A. Dyer
    • , Casey S. Philbin
    • , Kaitlin M. Ochsenrider
    • , Lora A. Richards
    • , Tara J. Massad
    • , Angela M. Smilanich
    • , Matthew L. Forister
    • , Thomas L. Parchman
    • , Lanie M. Galland
    • , Paul J. Hurtado
    • , Anne E. Espeset
    • , Andrea E. Glassmire
    • , Joshua G. Harrison
    • , Carmen Mo
    • , Su’ad Yoon
    • , Nicholas A. Pardikes
    • , Nadya D. Muchoney
    • , Joshua P. Jahner
    • , Heather L. Slinn
    • , Oren Shelef
    • , Craig D. Dodson
    • , Massuo J. Kato
    • , Lydia F. Yamaguchi
    •  & Christopher S. Jeffrey
  • Review Article |

    Single-atom catalysts are heterogeneous materials featuring active metals sites atomically dispersed on a surface. This Review describes methods by which we prepare and characterize these materials, as well as how we can tune their catalytic performance in a variety of important reactions.

    • Aiqin Wang
    • , Jun Li
    •  & Tao Zhang

News & Comment

  • Research Highlight |

    Superatoms — particularly paramagnetic ones — can be difficult to isolate and study. Bulky organic ligands have been shown to stabilize a large copper-aluminium superatom with a unique open-shell electronic structure.

    • David Schilter
  • In the Classroom |

    QR Chem is a free resource that enables teachers and researchers to link audiences directly to three-dimensional renderings of molecules.

    • Johnny Dang
    • , Brian Lin
    • , Julia Yuan
    • , Shawn T. Schwartz
    • , Rishabh M. Shah
    •  & Neil K. Garg
  • Research Highlight |

    The design of machines in the nanodimesional space is advancing fast. Ben Feringa and co-workers now report on solvent-driven aggregations of molecular motors into nanodimesional bowl-shaped objects and show how molecular rotation can be controlled in such confined volumes.

    • Gabriella Graziano
  • Research Highlight |

    Digoxin is a widely used heart drug, but metabolism by bacteria in the human gut leads to variable efficacy. The enzyme responsible has now been identified and characterized.

    • Stephen G. Davey
  • Research Highlight |

    Aquo complexes at salt surfaces feature in important processes such as salt dissolution and water desalination. Scanning tunnelling microscopy and atomic force microscopy have afforded the first real-space data concerning the structures and dynamics of single aquo complexes.

    • David Schilter
  • Research Highlight |

    Controlling shape and size of noble-metal nanocrystals in an automated fashion is highly desirable for large-scale production of nanomaterials. Younan Xia and co-workers propose the design of a device for the automated synthesis of uniform nanocrystals, featuring a droplet reactor, online separation and purification capabilities.

    • Gabriella Graziano

Collection

Electrocatalysis for fuels

David Schilter/Rachael Tremlett

Electrocatalysis for fuels

Efficient redox catalysis offers an important avenue in using renewable energy to process fuels. To this end, efforts in homogeneous, heterogeneous and microbial catalysis may each advance our fundamental understanding and technological capabilities.

David Schilter