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Fluorescent probes can detect metal ions with high sensitivity, but their design typically relies on a limited number of sensing mechanisms. Here the use of arene–metal-ion contact as a sensing mechanism allows ratiometric detection of metal ions across a broad wavelength range.
The vibrational properties of fullerenes are incompletely understood, particularly with respect to the effect of molecular size. Here the vibrational density of states of fullerenes is shown by density functional theory to converge smoothly to that of graphene, hindered only by the presence of frequency compressed radial optic vibrations due to the pentagonal faces in the fullerene family.
Enzyme reaction networks can control the spatial and temporal formation of hydrogels. Here, inspired by biofilm formation, urease-containing particles create a propagating pH gradient which induces thiol-acrylate polymerization, with properties tuned by solution viscosity, particle dimensions, and spatial configuration.
The production of giant unilamellar vesicles by microfluidics commonly involves additives, which may interfere with the resultant membrane properties. Here pure lipid GUVs are prepared which exclude residual surfactants and other additives.
Enzymes may behave differently at high pressures found in environments such as the ocean floor, but molecular dynamics force fields are not well characterized at high pressures. Here the CHARMM36m force field is validated against NMR data at variable pressures up to 2500 bar, using ubiquitin as a model protein.
Porous platinum is a frequently used electrocatalyst and thermoelectric material, but the growth mechanism of nanopores in platinum layers is still not fully understood. Here, the authors show that hydrogen is not involved in the reduction process of PtCl4, however it enables the formation of nanopores.
Organic microlaser sensors are highly promising for chemical vapor detection due to their chemical versatility, but their poor stabilities are hampering applications. Here the authors report the synthesis and lasing properties of a dye that is self-assembled into microwires exhibiting a strong acid vapor response and good stability.
Glycomimetics are structural mimics of carbohydrates that can replicate their biological activity but have improved drug-like properties. Here, using proline-catalysed α-halogenation/aldol cascades, carbohydrate building blocks are readily assembled and then diversified into glycomimetics including imino- and carbasugars.
Hyperpolarized metabolic contrast agents for magnetic resonance imaging can provide non-invasive and realtime information on tissue specific aberrant metabolism, but producing and handling them is highly demanding because of their short lifetime. Here a solid sample extraction, storage, and transport technique allows disconnecting production from end-user sites handling, as well as hour-long lifetimes of the agents.
Guanidinium-containing macromolecules, such as arginine-rich peptides, have peculiar properties in their interactions with membranes, including efficient translocation. Here the authors show that cationic gold nanoparticles functionalized with guanidinium groups can specifically and nondisruptively interact with phospholipid bilayer membranes.
Mass spectrometry can be used for structural determination of N-glycans, but commonly requires prior derivatisation or comparison to a library of standards. Here logically-derived sequence tandem mass spectrometry allows for assignment of native N-glycans by analysis of successive fragmentation patterns without derivatisation and standards.
Deep neural networks are potent tools for computational chemistry, but experimental feed data can limit their reach. Here the authors develop deep neural network data augmentation models to predict octanol–water partition coefficients (log P) of a variety of tautomers.
Interfaces are a key functional element in organic devices, but accessing buried interfaces has been challenging, Here the authors present a novel spectroscopic setup to investigate the spectral properties of ionic liquid/organic films interfaces under an electric field.
Redox flow batteries working at a neutral pH combine high stability and environmental safety, but their power output is still limited. Here, the authors present an aqueous, all-organic redox flow battery, with sulfonated tryptanthrin as an anolyte solution, reaching a cell voltage of 0.94 V.
Enantiomerically-enriched hydroxycarboxylic acids have been found in meteorites, but the possible origin of this asymmetry has not been explored experimentally. Here circular dichroism/anisotropy experiments suggest a common astrochemical mechanism for the generation of enantiomeric excess in hydroxycarboxylic acids and amino acids.
X-ray absorption and X-ray free electron lasers are important tools to study chemical and structural dynamics, but spectral details like pre-edge features are inherently hard to detect. Here, the authors show that stochastic spectroscopy can yield similar spectral information to monochromatic spectroscopies, while increasing signal yield and reducing acquisition time.
Hydrogen sulfide and ammonia form molecular mixtures that could open up new routes towards hydrogen-rich high-pressure/high-temperature superconductors, but their mixing propensity under pressure is not well understood. Here, the authors identify stable nitric sulfur hydrides at high pressure using first-principles crystal structure prediction methods.
Control over the morphology of porous materials is key for many applications, but can be challenging when targeting small particle sizes. Here one dimensional nano- and microstructures of zeolitic imidazolate frameworks are prepared using track-etched polycarbonate membranes as templates for interfacial synthesis.
Ortho functionalisation of phenols can be achieved using N-phenoxy amide directing groups. Here a method for chemodivergent C-H alkenylation, alkylation, carboetherification, or [3 + 2] annulation is presented, with product selectivity determined by the choice of solvent.
CO2 is prominent in the Earth’s and exoplanetary atmospheres, but its excited state photochemistry is not yet fully understood. Here the authors identify gradual quenching of the diffuse vibrational structure in supercritical CO2 electronic spectra under pressures up to 137 bar.