17O NMR spectroscopy of crystalline microporous materials
Cost-effective and atom-efficient isotopic enrichment enables 17O NMR spectroscopy of microporous materials to be used to probe local structure and disorder and to explore chemical reactivity.
Enzyme mediated incorporation of zirconium-89 or copper-64 into a fragment antibody for same day imaging of epidermal growth factor receptor
Enzymatic bioconjugation to introduce positron-emitting radionuclides (89Zr, 64Cu) into an anti-EGFR antibody fragment allows same day imaging with positron emission tomography.
X-ray scattering reveals ion clustering of dilute chromium species in molten chloride medium
Ion clustering of dilute chromium species was unexpectedly revealed in a high-temperature molten chloride salt, challenging several long-held assumptions regarding specific ionic interactions and transport in molten ionic media.
Efficient synthesis of antiviral agent uprifosbuvir enabled by new synthetic methods
An efficient route to the HCV antiviral agent uprifosbuvir was developed in 5 steps from readily available uridine in 50% overall yield.
Stealth nanorods via the aqueous living crystallisation-driven self-assembly of poly(2-oxazoline)s
Triggered by heating, a poly(2-alkyl-2-oxazoline) block copolymer undergoes seeded growth in water forming length tuneable nanorods. Morphology and composition combine to impart low immune cell association and promising blood circulation lifetimes.
How to not build a cage: endohedral functionalization of polyoxometalate-based metal–organic polyhedra
Installation of oversized functions within a metal–organic cage may “burst” or even transform the molecular cage itself.
Catalytic (3 + 2) annulation of donor–acceptor aminocyclopropane monoesters and indoles
A catalytic dearomatization of indoles with D–A aminocyclopropane monoesters for the synthesis of highly substituted indolines.
The electronic structure of FeV-cofactor in vanadium-dependent nitrogenase
Active site FeV-cofactor of the V-nitrogenase and the EPR spectrum of the reduced cofactor showing 51V-hyperfine coupling.
Calculation of absolute molecular entropies and heat capacities made simple
A novel scheme for the automated calculation of the conformational entropy together with a modified thermostatistical treatment provides entropies with unprecedented accuracy even for large, complicated molecules.
Chemoproteomic profiling of itaconations in Salmonella
Bioorthogonal probes have been developed to enable quantitative and site-specific profiling of itaconate modifications in Salmonella.
Mutually exclusive hole and electron transfer coupling in cross stacked acenes
Acenes in the Greek cross (+) stack orientation exhibit selective hole and electron transfer coupling based on gerade symmetry in frontier molecular orbitals.
Uncovering the interactions driving carotenoid binding in light-harvesting complexes
Carotenoids are essential constituents of plant light-harvesting complexes. This in silico study shows that carotenoid binding is mainly driven by van der Waals interactions with the surrounding chlorophylls rather than hydrogen bonds to the protein.
Directly visualizing carrier transport and recombination at individual defects within 2D semiconductors
Probe-based electrochemical techniques can be used to map carrier transport and recombination within two-dimensional semiconductors.
Quantum algorithm for alchemical optimization in material design
‘Alchemical’ quantum algorithm for the simultaneous optimisation of chemical composition and electronic structure for material design. By exploiting quantum mechanical principles this approach will boost drug discovery in the near future.
Switch chemistry at cryogenic conditions: quantum tunnelling under electric fields
Adding an external electric field to reactions driven by quantum mechanical tunneling brings a whole new dimension to the idea of switch chemistry.
Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of diheterohelicenes
A series of diheterohelicenes have been synthesized in a stereoselective manner through an organosulfur-based synthetic strategy, which has enabled clarifying the effect of the endocyclic atoms on physical properties.
Traceless parallel peptide purification by a first-in-class reductively cleavable linker system featuring a safety-release
A first-in-class reductively cleavable linker system that enables parallel and traceless purification of peptides through a safety-release is introduced with three linker types and showcased by rapid production of 20 personalized neoantigen peptides.
Relating atomic energy, radius and electronegativity through compression
Compression is used to derive a long sought-after connection between two central chemical concepts – van-der-Waals (vdW) radii and electronegativity – and how these relate to the driving forces behind chemical and physical transformations.
Precise sequencing of single protected-DNA fragment molecules for profiling of protein distribution and assembly on DNA
A single molecule footprinting-Seq assay at single nucleotide resolution was developed for measuring the distribution and kinetic binding of proteins on DNA.
A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters
A “protecting group strategy” for unstable lacunary polyoxomolybdates enabled successful synthesis of two types of tetranuclear manganese clusters.