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Themed collection 2021 ChemSci Pick of the Week Collection

20 items
Open Access Perspective

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.

Graphical abstract: 17O NMR spectroscopy of crystalline microporous materials
From the themed collection: 2021 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: Enzyme mediated incorporation of zirconium-89 or copper-64 into a fragment antibody for same day imaging of epidermal growth factor receptor
From the themed collection: 2021 ChemSci Pick of the Week Collection
Open Access Edge Article

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.

Graphical abstract: X-ray scattering reveals ion clustering of dilute chromium species in molten chloride medium
From the themed collection: 2021 ChemSci Pick of the Week Collection
Open Access Edge Article

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.

Graphical abstract: Efficient synthesis of antiviral agent uprifosbuvir enabled by new synthetic methods
From the themed collection: 2021 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: Stealth nanorods via the aqueous living crystallisation-driven self-assembly of poly(2-oxazoline)s
From the themed collection: 2021 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: How to not build a cage: endohedral functionalization of polyoxometalate-based metal–organic polyhedra
From the themed collection: 2021 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: Catalytic (3 + 2) annulation of donor–acceptor aminocyclopropane monoesters and indoles
From the themed collection: 2021 ChemSci Pick of the Week Collection
Open Access Edge Article

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.

Graphical abstract: The electronic structure of FeV-cofactor in vanadium-dependent nitrogenase
From the themed collection: 2021 ChemSci Pick of the Week Collection
Open Access Edge Article

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.

Graphical abstract: Calculation of absolute molecular entropies and heat capacities made simple
From the themed collection: 2021 ChemSci Pick of the Week Collection
Open Access Edge Article

Chemoproteomic profiling of itaconations in Salmonella

Bioorthogonal probes have been developed to enable quantitative and site-specific profiling of itaconate modifications in Salmonella.

Graphical abstract: Chemoproteomic profiling of itaconations in Salmonella
From the themed collection: 2021 ChemSci Pick of the Week Collection
Open Access Edge Article

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.

Graphical abstract: Mutually exclusive hole and electron transfer coupling in cross stacked acenes
From the themed collection: 2021 ChemSci Pick of the Week Collection
Open Access Edge Article

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.

Graphical abstract: Uncovering the interactions driving carotenoid binding in light-harvesting complexes
From the themed collection: 2021 ChemSci Pick of the Week Collection
Open Access Edge Article

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.

Graphical abstract: Directly visualizing carrier transport and recombination at individual defects within 2D semiconductors
From the themed collection: 2021 ChemSci Pick of the Week Collection
Open Access Edge Article

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.

Graphical abstract: Quantum algorithm for alchemical optimization in material design
From the themed collection: 2021 ChemSci Pick of the Week Collection
Open Access Edge Article

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.

Graphical abstract: Switch chemistry at cryogenic conditions: quantum tunnelling under electric fields
From the themed collection: 2021 ChemSci Pick of the Week Collection
Open Access Edge Article

Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes

A series of dihetero[8]helicenes 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.

Graphical abstract: Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes
From the themed collection: 2021 ChemSci Pick of the Week Collection
Open Access Edge Article

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.

Graphical abstract: Traceless parallel peptide purification by a first-in-class reductively cleavable linker system featuring a safety-release
From the themed collection: 2021 ChemSci Pick of the Week Collection
Open Access Edge Article

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.

Graphical abstract: Relating atomic energy, radius and electronegativity through compression
From the themed collection: 2021 ChemSci Pick of the Week Collection
Open Access Edge Article

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.

Graphical abstract: Precise sequencing of single protected-DNA fragment molecules for profiling of protein distribution and assembly on DNA
From the themed collection: 2021 ChemSci Pick of the Week Collection
Open Access Edge Article

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.

Graphical abstract: A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters
From the themed collection: 2021 ChemSci Pick of the Week Collection
20 items

About this collection

In 2018, the Chemical Science Editorial Team launched ‘ChemSci Pick of the Week’ as a means to select and promote our favourite articles from the week and share them with the wider chemical community. This on-going web collection showcases all ChemSci Picks from 2021.
All ChemSci Picks are promoted via Twitter and have an accompanying news article posted via our website.

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