Nanorods of a bismuth organic framework exhibiting yellow fluorescence against a dark background

Browse a Collection of recent Coordination Chemistry articles

Covering discrete coordination complexes, metal-organic cages and polymers, and metal-organic frameworks.

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  • Trimethylamine N-oxide (TMAO) protects organisms from the damaging effects of deep-sea high pressure, but it is not well understood how pressure and TMAO in combination perturb the water structure. Here, the authors use neutron scattering coupled with computational modelling of water at 25 bar and 4 kbar in the presence and absence of TMAO to propose an “osmolyte protection ratio” at which pressure and TMAO-induced energy changes effectively cancel out, which translates across scales to the organism level.

    • Harrison Laurent
    • Tristan G. A. Youngs
    • Lorna Dougan
    Article Open Access
  • The main protease (Mpro) of SARS-CoV-2 is an important target for COVID-19 therapy. Here, a pair of genetically encoded BRET-based sensors for detecting Mpro activity are generated by sandwiching N-terminal autocleavage sites in between the mNeonGreen and NanoLuc proteins.

    • Anupriya M. Geethakumari
    • Wesam S. Ahmed
    • Kabir H. Biswas
    Article Open Access
  • Sustainable aviation fuels offer the opportunity to both reduce CO2 emissions and produce fuels with superior properties to conventional petroleum-based fuels. Here, the bio-based monoterpene linalool is converted into an aviation fuel mixture primarily composed of p-menthane and 2,6-dimethyloctane at moderate temperatures and pressures using a combination of Amberlyst-15 and Pd/C catalysts. The resulting fuel is demonstrated to have a higher gravimetric heat of combustion, and a lower viscosity compared to petroleum derived Jet-A.

    • C. Luke Keller
    • Karan R. Doppalapudi
    • Benjamin G. Harvey
    Article Open Access
  • Iron is the most abundant redox active transition metal in mineral dust, but its role in nitrogen-containing organic carbon formation remains largely unexplored. Here, the authors show that Fe(III) catalyzes the dark oxidative oligomerization of o- and p-aminophenols under simulated aerosol and cloud conditions.

    • Hind A. Al-Abadleh
    • Fatemeh Motaghedi
    • Marcelo I. Guzman
    Article Open Access
  • Practical liquid fuels involve hundreds of chemical species, making the prediction of mixture properties a key bottleneck for fuel design. Here, the authors develop an artificial intelligence framework to predict how interactions between molecules correlate with specific fuel properties and propose an optimized fuel mix.

    • Nursulu Kuzhagaliyeva
    • Samuel Horváth
    • S. Mani Sarathy
    Article Open Access
  • Pine sporopollenin harbors unique monomeric units and inter-unit linkages forming mechanically robust and chemically inert biopolymers. Here, the authors design and synthesize several sporopollenin analogues, and characterize their chemical, thermal and mechanical properties as robust polymers.

    • Christopher M. Glinkerman
    • Shaoting Lin
    • Jing-Ke Weng
    Article Open Access
    • Control over chemical transformations in aqueous environments employing catalytic systems whose activity can be switched on/off is challenging. Here, the authors review the switchable catalytic systems that operate in aqueous environments in response to external stimuli, such as pH, temperature, light, small molecules, electric field, magnetic field and mechanical energy.

      • Nikita Das
      • Chandan Maity
      Review Article Open Access
    • Aluminum–sulfur batteries have a theoretical energy density comparable to lithium–sulfur batteries, whereas aluminum is the most abundant metal in the Earth’s crust and the least expensive metallic anode material to date. Here, the authors review experimental and computational approaches to tailor the chemical interactions between sulfur host materials and polysulfides in Al-S batteries and point towards promising future research directions.

      • Matthias Klimpel
      • Maksym V. Kovalenko
      • Kostiantyn V. Kravchyk
      Review Article Open Access
    • Continuously evolving computational methods are crucial to improve our understanding of the thermophysical properties of molten salts, which are experimentally hard to probe but used widely from steel manufacturing to solar power generation. Here, the authors review computational method developments from early simulations to current machine learning tools, and conclude with an outlook on the challenges molten salt simulations still pose.

      • Talmage Porter
      • Michael M. Vaka
      • Dennis Della Corte
      Review Article Open Access
    • Molecular dynamics simulations, used to study chemical and biophysical processes, rely on the accuracy of the employed force fields. Here, the authors review successes and key areas of difficulty in the development of additive and polarizable force fields, and discuss experimental data availability, how empirical refinement impacts parametrization, and highlight possible routes to further improve the accuracy of force fields.

      • Marcelo D. Polêto
      • Justin A. Lemkul
      Review Article Open Access
    • Two-dimensional colloidal nanoplatelets can assemble into materials with promising optical properties, and the influence of local curvature on these properties is an area of active interest. Here, the relationship between nanoplatelet geometry, self-assembly, and collective properties is reviewed.

      • Lilian Guillemeney
      • Laurent Lermusiaux
      • Benjamin Abécassis
      Perspective Open Access
  • Hear from Professor Nathalie Katsonis on her academic journey and passions, her thoughts on the future directions of chemical research, and her experience of being an Editorial Board Member for Communications Chemistry.

    Q&A Open Access
  • Adiabatic state preparation (ASP) represents an efficient way of generating correlated wave functions on quantum computers for subsequent quantum simulation. Here, the author discusses recent work that numerically studied the performance of ASP on strongly correlated molecules and presented several approaches of improving the quality of prepared ground state wave functions.

    • Libor Veis
    Comment Open Access
  • [n]cycloparaphenylenes feature extensive para-conjugation that leads to useful electronic and optoelectronic properties, but their strained topology prevents their conversion into planar macrocycles. Now, on-surface coupling of cleverly designed precursors affords planar π-extended [12]cycloparaphenylene.

    • Victoria Richards
    Research Highlight Open Access
  • It has been a great joint achievement of astronomy, laboratory spectroscopy and quantum chemistry to identify interstellar molecules in various astronomical environments and piece together their origins story from the fragmented evidence. Here the authors provide a sketch of what we know and motivate the asking of open questions on carbon-based molecules in space.

    • Christopher S. Hansen
    • Els Peeters
    • Timothy W. Schmidt
    Comment Open Access
  • Strong emergence is the main form of emergence that has been defended with respect to chemistry, and in particular molecular structure. Here, the author spells out this form of emergence, proposes new ways in which one can further explore the question of emergence, and explains why investigating emergence should be of interest not only to philosophers but to chemists as well.

    • Vanessa A. Seifert
    Comment Open Access
  • Interfacing ultrasmall metal nanoclusters (NCs) with proteins can present a dual opportunity: proteins can be used for protecting NCs, and the surface ligands of NCs may interact with proteins. Here, the authors identify and discuss remaining open questions surrounding the bio-NC interface that call for future research efforts.

    • Rodolphe Antoine
    • Dusica Maysinger
    • Vlasta Bonačić-Koutecký
    Comment Open Access
Questionmarks

Open Questions in Chemistry

In spite of decades of research and the enormous progress made, chemists continue to grapple with poorly understood aspects of the world around us. This collection aims to uncover open questions across the breadth of the chemical sciences. Each Comment provides an overview of a focused field of research, identifies key open questions, and gives expert opinion on how challenges in answering these questions might be overcome.
Collection
Open for submissions

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