Dissociation path competition of radiolysis ionization-induced molecule damage under electron beam illumination
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+.
Electronic structures of bent lanthanide(III) complexes with two N-donor ligands
Halide abstraction chemistry is performed on a series of trigonal lanthanide(III) complexes to provide bent complexes that contain only two N-donor ligands.
Living β-selective cyclopolymerization using Ru dithiolate catalysts
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.
Anion carriers as potential treatments for cystic fibrosis: transport in cystic fibrosis cells, and additivity to channel-targeting drugs
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.
Discovery of selective, antimetastatic and anti-cancer stem cell metallohelices via post-assembly modification
A remarkable array of mechanistic and pharmacological behaviours is discovered via click derivatisation of asymmetric, optically pure helicate-like compounds.
Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices
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.
A Cu–Pd single-atom alloy catalyst for highly efficient NO reduction
Highly active and selective NO reduction was achieved at low temperatures using a minimum amount of noble metal Pd.
Ligand-controlled diastereodivergent, enantio- and regioselective copper-catalyzed hydroxyalkylboration of 1,3-dienes with ketones
A ligand-controlled diastereodivergent copper-catalyzed borylative coupling between 1,3-dienes and ketones enables the enantioselective synthesis of densely functionalized tertiary homoallylic alcohols.
Chaperone-like chiral cages for catalyzing enantio-selective supramolecular polymerization
Chiral organic cages can assist enantio-selective supramolecular polymerization through a catalyzed assembly (catassembly) strategy, like chaperones assist the assembly of biomolecules.
Observation of osmotically driven, highly controllable and reconfigurable oil/water phase separation
Osmotically driven, highly controllable and reconfigurable water–oil phase separation was achieved for the first time using ionic liquid systems.
Taming conformational heterogeneity in and with vibrational circular dichroism spectroscopy
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 electrochemical properties of covalent triazine frameworks as anode materials for K-ion batteries
Pore-size dominated K-ion storage behaviour in covalent triazine frameworks.
A natural solution to photoprotection and isolation of the potent polyene antibiotic, marinomycin A
Perfect partners for photoprotection: orally ingestible sporopollenin confers striking photoprotection to the powerful, polyene antibiotic, marinomycin A, as well as enabling its selective extraction.
Martensitic organic crystals as soft actuators
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 colloidosomes of black gold for solar energy harvesting and hotspots directed catalysis for CO2 to fuel conversion
Plasmonic black gold converts CO2 to methane using solar energy.
Rational design and implementation of a cucurbituril-based indicator-displacement assay for application in blood serum
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.
Measuring proteins in H2O with 2D-IR spectroscopy
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.
Upcycling aromatic polymers through C–H fluoroalkylation
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.
Mixed-carbene cyclometalated iridium complexes with saturated blue luminescence
A new structural class of mixed-carbene cyclometalated iridium complexes with intense, high-purity blue luminescence are described.
Combination of gallium(III) with acetate for combating antibiotic resistant Pseudomonas aeruginosa
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.
Synthesis of sterically hindered 4,5-diarylphenanthrenes via acid-catalyzed bisannulation of benzenediacetaldehydes with alkynes
Acid-catalyzed bisannulation of benzenediacetaldehydes with alkynes provided a rapid access to sterically hindered 4,5-diarylphenanthrenes and multisubstituted phenanthrenes regioselectively.
Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles
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−.
Enantioseparation by crystallization using magnetic substrates
Enantiospecific crystallization of the three amino acids asparagine (Asn), glutamic acid hydrochloride (Glu·HCl) and threonine (Thr), induced by ferromagnetic (FM) substrates, is reported.
Mapping binary copolymer property space with neural networks
We map the property space of binary copolymers to understand how copolymerisation can be used to tune the optoelectronic properties of polymers.
A sulfonium tethered peptide ligand rapidly and selectively modifies protein cysteine in vicinity
A unique peptide stabilization method provides a tethered sulfonium that can rapidly and selectively modify protein cysteine in close vicinity.
Targeting triple-negative breast cancer cells using Dengue virus-mimicking pH-responsive framboidal triblock copolymer vesicles
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.
Helical orbitals and circular currents in linear carbon wires
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
Aqueous acid-based synthesis of lead-free tin halide perovskites with near-unity photoluminescence quantum efficiency and high chemical yield is described.
Carbon monoxide insertion at a heavy p-block element: unprecedented formation of a cationic bismuth carbamoyl
The first insertion reaction of CO with a molecular complex of the heavy p-block elements is reported (principal quantum number > 4).
A catalytic protein–proteomimetic complex: using aromatic oligoamide foldamers as activators of RNase S
An aromatic oligoamide foldamer acts as an α-helix mimetic and binds to the RNase S-protein resulting in restoration of its catalytic function.
Controlling a burn: outer-sphere gating of hydroxylamine oxidation by a distal base in cytochrome P460
One amino acid makes the difference between a metalloenzyme and a metalloprotein in two otherwise effectively identical cytochrome P460s.
Chiral phosphoric acid-catalyzed enantioselective construction of structurally diverse benzothiazolopyrimidines
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.
ppm Pd-catalyzed, Cu-free Sonogashira couplings in water using commercially available catalyst precursors
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.
Catalytic asymmetric allylation of aldehydes with alkenes through allylic C(sp3)–H functionalization mediated by organophotoredox and chiral chromium hybrid catalysis
We have developed a catalytic asymmetric nucleophilic allylation of aldehydes using simple alkenes as pronucleophiles without relying on stoichiometric metals.
An Al-doped SrTiO3 photocatalyst maintaining sunlight-driven overall water splitting activity for over 1000 h of constant illumination
The development of robust and efficient water splitting photocatalysts overcomes a long-standing barrier to sustainable large-scale solar hydrogen evolution systems.
A molecular picture of surface interactions of organic compounds on prevalent indoor surfaces: limonene adsorption on SiO2
Integration of experiment, theory and modeling to understand the interaction type and kinetics of limonene on silica surfaces.
Influence of intramolecular secondary sphere hydrogen-bonding interactions on cytochrome c oxidase inspired low-spin heme–peroxo–copper complexes
Structural/electronic influence of metalloenzyme-inspired synthetic heme–peroxo–copper models containing intramolecular hydrogen bonding interactions.
Hollow nanoreactors for Pd-catalyzed Suzuki–Miyaura coupling and O-propargyl cleavage reactions in bio-relevant aqueous media
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 integrated-molecular-beacon based multiple exponential strand displacement amplification strategy for ultrasensitive detection of DNA methyltransferase activity
An ultra-sensitive biosensor using only two DNA oligos to initiate multiple signal amplification cycles.
Waterproof architectures through subcomponent self-assembly
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.
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 2019.