Rich polymorphism in nicotinamide revealed by melt crystallization and crystal structure prediction

Latest Research

  • Article
    | Open Access

    Octacalcium phosphate is a precursor to a key component of human bone and tooth enamel which can incorporate carboxylate species, but the effect of multivalent carboxylates is not well understood. Here the incorporation of tetracarboxylic acids into OCP is shown to influence the structural and optical properties of the resultant composite.

    • Taishi Yokoi
    • , Tomoyo Goto
    • , Mitsuo Hara
    • , Tohru Sekino
    • , Takahiro Seki
    • , Masanobu Kamitakahara
    • , Chikara Ohtsuki
    • , Satoshi Kitaoka
    • , Seiji Takahashi
    •  & Masakazu Kawashita
  • Article
    | Open Access

    Biomineralization allows for crystal structure, size, and morphology control over inorganic compounds, but precipitation at random compositions hinders the construction of complex nanostructures. Here, the elemental composition of a gold-titania nanocomposite photocatalyst is controlled through two inorganic precipitating peptides bound to DNA.

    • Makoto Ozaki
    • , Takahito Imai
    • , Takaaki Tsuruoka
    • , Shungo Sakashita
    • , Kin-ya Tomizaki
    •  & Kenji Usui
  • Article
    | Open Access

    Metal–organic frameworks have been shown to adsorb and decompose chemical warfare agents, but their mechanism of action is not completely understood. Here the authors quantitatively track the binding and decomposition product structures of nerve-agent simulant dimethyl methylphosphonate in host UiO-67 through in situ X-ray total scattering measurements, pair distribution function analysis, and density functional theory calculations.

    • Maxwell W. Terban
    • , Sanjit K. Ghose
    • , Anna M. Plonka
    • , Diego Troya
    • , Pavol Juhás
    • , Robert E. Dinnebier
    • , John J. Mahle
    • , Wesley O. Gordon
    •  & Anatoly I. Frenkel
  • Article
    | Open Access

    Near-infrared fluorescent proteins engineered from bacterial phytochromes are important for deep-tissue imaging in vivo, but the mechanism through which they bind to chromophores is not fully understood. Here the authors structurally analyze biliverdin binding to miRFP proteins using time-resolved stimulated Raman spectroscopy and quantum mechanical/molecular mechanics calculations.

    • Yusaku Hontani
    • , Mikhail Baloban
    • , Francisco Velazquez Escobar
    • , Swetta A. Jansen
    • , Daria M. Shcherbakova
    • , Jörn Weißenborn
    • , Miroslav Kloz
    • , Maria Andrea Mroginski
    • , Vladislav V. Verkhusha
    •  & John T. M. Kennis
  • Article
    | Open Access

    Promising treatments for neurogenerative disorders may involve targeting kinetic intermediates, including α-synuclein oligomers. Here a kinetic method for quantifying oligomer populations is used to screen small molecule inhibitors of oligomerisation and gain mechanistic insight into their modes of action.

    • Roxine Staats
    • , Thomas C. T. Michaels
    • , Patrick Flagmeier
    • , Sean Chia
    • , Robert I. Horne
    • , Johnny Habchi
    • , Sara Linse
    • , Tuomas P. J. Knowles
    • , Christopher M. Dobson
    •  & Michele Vendruscolo
  • Review Article
    | Open Access

    Macrocycles have been widely studied for their structure-specific and highly selective recognition properties. Here the authors review the design, synthesis and applications of photo-, pH- and redox-responsive macrocycles.

    • Jingjing Yu
    • , Dawei Qi
    •  & Jianwei Li

News & Comment

  • Comment
    | Open Access

    Molecular knots are evolving from academic curiosities to a practically useful class of mechanically interlocked molecules, capable of performing unique tasks at the nanoscale. In this comment, the author discusses the properties of molecular knots, and highlights future challenges for chemical topology.

    • Fredrik Schaufelberger
  • Comment
    | Open Access

    The chemistry of carbon monoxide (CO) as a ligand has evolved significantly and transition-metal carbonyl complexes have been widely used as catalysts in many important catalytic processes. Here the authors comment on the recent progress of main-group element carbonyl complexes along with their future prospects.

    • Shiori Fujimori
    •  & Shigeyoshi Inoue
  • Comment
    | Open Access

    Understanding the biogeochemistry of radionuclides in the environment is essential for effective isolation of nuclear waste in repositories, management of contaminated sites, ensuring long-term protection of our ecosystems, and limiting impacts on human health. Here the authors discuss the extreme complexity of this multidimensional chemistry problem, highlighting the outstanding open questions for the next generations of environmental radiochemists.

    • Gauthier J.-P. Deblonde
    • , Annie B. Kersting
    •  & Mavrik Zavarin
  • Comment
    | Open Access

    While sp2-hybridized carbon atoms in hydrocarbons typically contribute only one electron to their aromaticity, metals have more electrons from d or f orbitals available for participating in conjugation in organometallics, complicating the electron counting as well as analysis of their aromaticity. Here, the author comments on the challenges towards understanding aromaticity in organometallics and outlines several remaining questions that have yet to be answered.

    • Jun Zhu
  • Comment
    | Open Access

    The chemistry of stable low oxidation state group 2 metal compounds was initiated in 2007 and has since expanded rapidly, yielding many surprises. Here the author outlines advances in the field and discusses some of the open questions and challenges that remain to be answered in coming years.

    • Cameron Jones
  • Comment
    | Open Access

    Tight regulation of protein levels is so crucial for cellular function that mammalian cells have evolved two parallel degradation systems. This article discusses how these systems can be exploited to selectively target proteins of interest for therapeutic purposes.

    • Mohamed A. Eldeeb
    • , Cornelia E. Zorca
    •  & Thomas Goiran


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.


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