Themed collection 2019 ChemSci Pick of the Week Collection

Exciton-polaritons are quasiparticles with mixed photon and exciton character with the potential to modify chemical properties of materials. Here, they are used to provide dark, high-spin triplet-pair states a new pathway to emit light.

The small-cavity, bifunctional chelator picaga coordinates Sc-44 at room temperature and enables PET imaging of an in vivo tumor target.

We report a computational study on homo- and heteronuclear e⁺[X⁻Y⁻] compounds formed by two halide anions (X⁻, Y⁻ = F⁻, Cl⁻, Br⁻) and one positron.

Using an in vivo hybridization chain reaction with a tripartite DNA probe to image RNA in living mice may open the door for intracellular RNA imaging in living mammalian animals, implying its potential for tumor biology studies and theranostics.

A snapshot of evolution in flagrante shows that recombination within and between biosynthetic genes leads to diversification of nonribosomal peptides.

Explaining most known double perovskite electronic structures and predicting new ones using Linear Combination of Atomic Orbitals analysis.

Molecule damage under TEM electron beam illumination is studied using a systematical ab initio method. Three main dissociation paths are revealed which explains the experimentally observed mass spectra of the dissociation fragments of the C₂H₆O₂⁺.

An efficient algorithmic workflow was developed to optimize seven process parameters of a homogeneous catalytic system with minimal experimental effort.

Halide abstraction chemistry is performed on a series of trigonal lanthanide(III) complexes to provide bent complexes that contain only two N-donor ligands.

Principal Component Analysis on a series of molecular geometries (e.g., a reaction coordinate or trajectory) provides maximum structural variance in the fewest dimensions, and so can offer an objective, comprehensible depiction of the transformation.

Synthetic anion transporters are active in cystic fibrosis cells, and are additive to clinically-approved drugs, suggesting new combination therapies for this lethal genetic condition.

A ligand-controlled diastereodivergent copper-catalyzed borylative coupling between 1,3-dienes and ketones enables the enantioselective synthesis of densely functionalized tertiary homoallylic alcohols.

Herein, we demonstrate the first example of living β-selective CP by rational engineering of the steric factor on monomer or catalyst structures, along with a mechanistic investigation by in situ kinetic studies using ¹H NMR spectroscopy.

A remarkable array of mechanistic and pharmacological behaviours is discovered via click derivatisation of asymmetric, optically pure helicate-like compounds.

Highly active and selective NO reduction was achieved at low temperatures using a minimum amount of noble metal Pd.

Chiral organic cages can assist enantio-selective supramolecular polymerization through a catalyzed assembly (catassembly) strategy, like chaperones assist the assembly of biomolecules.

Osmotically driven, highly controllable and reconfigurable water–oil phase separation was achieved for the first time using ionic liquid systems.

Genetic fitting algorithm accounting for the uncertainty in computed energies allows a significantly more reliable assignment of stereochemistry and conformational heterogeneity of chiral compounds using vibrational circular dichroism.

Pore-size dominated K-ion storage behaviour in covalent triazine frameworks.

Perfect partners for photoprotection: orally ingestible sporopollenin confers striking photoprotection to the powerful, polyene antibiotic, marinomycin A, as well as enabling its selective extraction.

Being capable of rapid and complete structure switching, the martensitic phase transitions in molecular crystals are thought to hold a tremendous potential as thermally driven organic actuators.

Plasmonic black gold converts CO₂ to methane using solar energy.

In this study, we report the first supramolecular indicator displacement assay (IDA) based on cucurbit[n]uril (CBn) host and a [2.2]paracyclophane derivative as indicator that is operational in blood serum.

2D-IR spectroscopy is used to measure protein amide I bands in water, avoiding the need for deuteration. We show that H/D exchange affects protein vibrational relaxation dynamics and that the ability to perform 2D-IR in water enables blood serum protein analysis.

This work provides a platform C–H functionalization method that introduces fluoroalkyl groups onto commercial aromatic polymers and post-consumer plastic waste that improve their material properties.

A new structural class of mixed-carbene cyclometalated iridium complexes with intense, high-purity blue luminescence are described.

Combination of Ga(III) with acetate greatly enhances the antimicrobial activity of Ga(III) against P. aeruginosa, and shows promise to combat the crisis of antimicrobial resistance.

Acid-catalyzed bisannulation of benzenediacetaldehydes with alkynes provided a rapid access to sterically hindered 4,5-diarylphenanthrenes and multisubstituted phenanthrenes regioselectively.

Imidazolium-based ionic liquids served to selectively methylate terminal chalcogenide ligands of chalcogenidometalate clusters [Sn₁₀S₁₆O₄(SMe)₄]⁴⁻, [Mn₄Sn₄Se₁₃(SeMe)₄]⁶⁻, and [Hg₆Te₁₀(TeMe)₂]⁶⁻.

Enantiospecific crystallization of the three amino acids asparagine (Asn), glutamic acid hydrochloride (Glu·HCl) and threonine (Thr), induced by ferromagnetic (FM) substrates, is reported.

We map the property space of binary copolymers to understand how copolymerisation can be used to tune the optoelectronic properties of polymers.

A unique peptide stabilization method provides a tethered sulfonium that can rapidly and selectively modify protein cysteine in close vicinity.

Dengue fever-mimicking pH-responsive framboidal triblock copolymer vesicles enable delivery of a nucleic acid payload to the nuclei of triple-negative breast cancer cells.

Disubstituted odd-carbon cumulenes are linear carbon wires with helical π-orbitals, which results in circular current around the wire.

Aqueous acid-based synthesis of lead-free tin halide perovskites with near-unity photoluminescence quantum efficiency and high chemical yield is described.

The first insertion reaction of CO with a molecular complex of the heavy p-block elements is reported (principal quantum number > 4).

An aromatic oligoamide foldamer acts as an α-helix mimetic and binds to the RNase S-protein resulting in restoration of its catalytic function.

One amino acid makes the difference between a metalloenzyme and a metalloprotein in two otherwise effectively identical cytochrome P460s.

Chiral phosphoric acid catalyzed the formal [4+2]-cycloaddition of 2-benzothiazolimines with enecarbamates to provide benzothiazolopyrimidines with up to 99% yield and >99% ee.

A new catalyst that derives from commercially available precursors for copper-free, Pd-catalyzed Sonogashira reactions at the sustainable ppm level of precious metal palladium under mild aqueous micellar conditions has been developed.

We have developed a catalytic asymmetric nucleophilic allylation of aldehydes using simple alkenes as pronucleophiles without relying on stoichiometric metals.

The development of robust and efficient water splitting photocatalysts overcomes a long-standing barrier to sustainable large-scale solar hydrogen evolution systems.

Integration of experiment, theory and modeling to understand the interaction type and kinetics of limonene on silica surfaces.

Structural/electronic influence of metalloenzyme-inspired synthetic heme–peroxo–copper models containing intramolecular hydrogen bonding interactions.

We describe the fabrication of hollow microspheres consisting of mesoporous silica nanoshells decorated with an inner layer of palladium nanoparticles and their use as Pd-nanoreactors in aqueous media.

An ultra-sensitive biosensor using only two DNA oligos to initiate multiple signal amplification cycles.

Construction of metal–organic containers that are soluble and stable in water can be challenging – we present diverse strategies that allow the synthesis of kinetically robust water-soluble architectures via subcomponent self-assembly.