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The properties of nano-crystalline materials depend heavily on their size, therefore, understanding early crystallization processes is crucial. Here, the relationship between phosphorescence and crystal structures of three crystallizing Au(I) complexes bearing n-alkyl chains of different lengths is studied.
Hydrogen for fuel cells is commonly stored in pressurized tanks, whereby safety and portability can be problematic. Here, a rechargeable proton exchange membrane fuel cell with an internal hydrogen storage polymer that is cyclable up to 50 times is presented.
Ordered nanostructures generated by block copolymer microphase separation are promising templates for nanopatterning technologies, but achieving ultrasmall microphase-separated structures is highly challenging. Here the authors report a discrete block co-oligomer system capable of forming self-assembled nanostructures with ultrasmall periodicity.
Photocatalytic CO2 reduction requires catalysts that are both active and selective. Here, a mixture of CaGa4O7-loaded Ga2O3 and CaO, decorated with Ag@Cr core-shell particles, delivers over 835 µmol h−1 of CO at >95 % selectivity.
Understanding the downstream signal transduction process of the CXCL12–CXCR4–Gαi tricomplex could prove useful in the development of anticancer and antimetastatic drugs. Here the authors propose an internal water channel formation model for CXCL12-bound CXCR4 in complex with Gαi-protein upon activation for downstream signaling.
In light of bacterial resistance to β-lactam antibiotic drugs, understanding the hydrolysis reaction of β-lactamases is crucial. Here the authors use machine learning based regression algorithms to analyze the catalytic energy landscape of TEM-1.
The visible light-promoted [2 + 2] cycloaddition is a useful and extended route to prepare cyclobutanes and their derivatives. Here, we present an aza variant, in which heterocycles and olefins undergo a cycloaddition-ring opening rearomatization sequence, providing access to functionalised nitrogen heterocycles.
Citrate-stabilised gold nanoparticles are used in a range of applications, but their interaction with lipid membranes is not fully understood. Here the effect of nanoparticle size on the interaction with POPC and DOPC vesicles is studied experimentally.
Catalytic oxidation of methane to syngas is an important process, but efficient and stable catalyts remain in demand. Here dispersion of nickel on zeolites yields nickel oxide nanoparticles as small as 1.6 nm which act as selective and efficient catalysts for conversion of methane to syngas.
Copper- or silver-catalysed IEDDA of siloxyalkynes across phthalazines is proposed to proceed via a 2+2 pathway. Here DFT calculations suggest that the migration of a silylium ion leads to reconstruction of the four-member ring and nitrogen release.
Floridoside is a glycerol glycoside that is biosynthesised by most species of red algae and has been implicated as an intracellular regulator of various homeostatic functions. Here the authors report and characterise previously unforeseen crystal forms of floridoside: an anhydrous polymorph and a crystalline stoichiometric monohydrate.
DNA-encoded libraries offer a powerful method for identifying small molecules with valuable functions, but efficiently designing libraries is a challenge. Here an algorithm called eDESIGNER is used to systematically screen and identify libraries with maximal structural diversity.
A single amyloid-forming protein or peptide can adopt many different fibrillar 3D structures, but this polymorphism is poorly understood. Here, detailed AFM imaging allows for the reconstruction of 3D models of individual fibrils which can be clustered on the basis of their individual structural properties.
Polyethylene glycol (PEG) is a widely used, biocompatible material, but can promote the development of anti-PEG antibodies. Here, crystal structures of an anti-PEG antibody binding fragment bound to PEG are reported and key binding residues are identified by site-directed mutagenesis.
How phosphorylation regulates the binding of the intrinsically disordered protein kinase inducible domain to KIX is unclear. Here bias-exchanged metadynamics simulations of the macromolecular complex suggest that hydrophobic interactions in the phosphorylated domain create a hydrophobic residue cluster which is selective for KIX binding.
Escherichia coli glutamate decarboxylase is highly selective for its natural substrate, L-glutamate, which it converts to γ-aminobutyric acid (GABA). Here this enzyme is shown to also decarboxylate a phosphinyl analogue of glutamate, suggesting that the phosphinic group can be considered a bioisostere of the carboxylic group.
Fragment-based screening offers a valuable method for identifying ligands and can be expanded to crude reaction mixtures. Here, high-throughput crystallographic screening of crystals soaked with crude reaction mixtures is assessed as a method to rapidly obtain ligands with improved affinity.
Circularly polarized luminescence from chiral organic molecules is used in devices such as security tags, lasers, or data storage. Here, the authors use (+)-3-(trifluoroacetyl)camphor and a glass-promoting phosphine oxide ligand to achieve a chiral Eu(III) lumino-glass.
Water in the atmosphere can be indicated by vapochromic systems, especially where electrical detection cannot be used. Here, the authors explore the hydrochromic behaviour of a van der Waals porous crystal with a dibenzophenazine core and multibranched carbazole dendrons, finding that the outermost carbazole units alone are mobile in the crystal upon water adsorption.
Regenerated cellulose is a natural, renewable and biodegradable material but is commonly obtained via environmentally hazardous processes. Here, a simple, environmentally friendly route is presented involving rapid coagulation of dissolved cellulose by nontoxic organic carbonates.