Molecular model of a 4-layered supramolecular network on a HOPG surface

Toward conformational identification of molecules in 2D and 3D self-assemblies on surfaces

  • Ali Hamadeh
  • Frank Palmino
  • Frédéric Chérioux
Article

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  • Seleno-insulins (SeIns) are known to exhibit different in vitro properties from wild-type insulin, upon replacement of one of the three disulfide bonds with diselenide bonds; however, the in vivo hypoglycemic effect remains poorly understood. Here, the authors optimize the synthesis of SeIns via native chain assembly and reveal in vitro resistance against the insulin-degrading enzyme, as well as the in vivo hypoglycemic effect in diabetic rats at a dose of 150 μg/300 g rat.

    • Kenta Arai
    • Masaki Okumura
    • Michio Iwaoka
    ArticleOpen Access
  • Late-stage functionalization of drug molecules can tune their properties without the need for entirely new syntheses, however, predicting reactivity and planning synthesis for late-stage C-H activation remains challenging. Here, the authors develop a reaction screening approach combining high-throughput experimentation with computational graph neural networks to identify suitable substrates that can be used for late-stage C-H alkylation via Minisci-type chemistry.

    • David F. Nippa
    • Kenneth Atz
    • Gisbert Schneider
    ArticleOpen Access
  • β-Amino acid-containing macrolactams are a known natural product family exhibiting structural and functional diversity, however, the natural chemical space of this family remains underexplored. Here, the authors use a targeted β-amino acid-specific homology-based multi-query search to identify their potential microbial producers, explore the variation of their biosynthetic gene clusters, heterologously produce ciromicin A, and identify new macrotermycin derivatives.

    • Elena Seibel
    • Soohyun Um
    • Christine Beemelmanns
    ArticleOpen Access
  • The reduction of dinitrogen to ammonia catalyzed by nitrogenase involves long-range conformational changes within the enzyme complex, however, direct biophysical evidence of communication between the Fe protein and the MoFe protein is lacking. Here, the authors combine millisecond time-resolved hydrogen-deuterium exchange mass spectrometry and normal mode analysis, revealing molecular-level insights into how the Fe protein alters the stability and dynamics of the MoFe protein near the active site in a nucleotide-dependent manner.

    • Monika Tokmina-Lukaszewska
    • Qi Huang
    • Brian Bothner
    ArticleOpen Access
  • Tetraphenylethylenes (TPEs) are known for their aggregation-induced emission and electrochemical properties of value for optical sensors, however, established synthetic routes suffer from several limitations. Here, the authors develop a metal-free route to TPEs and other alkenes via a sulfur-mediated coupling of N-tosylhydrazones, achieving good yields and a broad substrate scope.

    • Peter Conen
    • Roman Nickisch
    • Michael A. R. Meier
    ArticleOpen Access
  • Mineral precipitation in porous media is relevant for various energy-related applications such as oil extraction, geothermal systems, or nuclear waste disposal, but crystallization retardation as a function of pore size and shape is poorly explored. Here, the authors study barite crystallization in micro-confinement, showing that retardation of crystallization can start in pores of less than 1 µm in size, with the probability of nucleation scaling with pore volume.

    • Jenna Poonoosamy
    • Abdulmonem Obaied
    • Enzo Curti
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  • The oxygen evolution reaction (OER) is a key enabler of sustainable chemical energy storage. Here, the author assesses the current status of protocols for benchmarking the OER in materials- and device-centered investigations and makes suggestions for more comparable data.

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    CommentOpen Access
  • Molecular skeletal editing has a wide range of applications in late-stage derivatization, but metal–carbon exchange is underexplored due to the challenges in selectively cleaving highly inert chemical bonds and forming stable intermediates. Here, skeletal metalation of lactams enables a carbonyl-to-nickel exchange via Ni(0) reagent-mediated selective C–N bond oxidative addition and decarbonylation, generating synthetically useful organonickel reagents for the deletion and exchange of single atoms in the lactam core.

    • Huijuan Guo
    Research HighlightOpen Access
  • Andrew Goodwin is Professor of Materials Chemistry and a Professorial Research Fellow at the University of Oxford. His research focuses on the dual aspects of flexibility and disorder in functional materials, and his group of about 10–15 researchers is based in Oxford’s Inorganic Chemistry Laboratory.

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  • Dr Camille Bishop is an incoming Assistant Professor in the Department of Chemical Engineering and Materials Science at Wayne State University. She obtained her PhD in chemistry at the University of Wisconsin—Madison, where she prepared glasses with liquid crystal-like packing using physical vapor deposition, after obtaining her B.S. in chemistry from the University of Chicago.

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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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