Themed collection 2019 Chemical Science HOT Article Collection

This perspective links the synthesis of MOF Gels to the formation of MOF-monoliths and their resultant properties and application.

Clusters containing tin atoms show a huge variety of molecular structures, chemical as well as physical properties.

Efficient radical routes to important alkyl and aryl boronic esters have been developed over the past few years. Such reactions are complementary to existing transition-metal catalysed cross coupling processes.

This review summarizes recent progress of biomass-derived materials in Li–S batteries. These materials are promising due to their advantages including strong physical and chemical adsorption, high abundance, low cost, and environmental friendliness.

The neuraminidase on the surface of influenza viruses make the virus a receptor-cleaving molecular walker, similar to molecular spiders.

The concept of reductive radical-polar crossover (RRPCO) reactions has recently emerged as a valuable and powerful tool to overcome limitations of both radical and traditional polar chemistry.

Naked-eye comparison of reaction profiles is a powerful tool to extract mechanistic information – FAQ, video tutorial and templated examples included.

Fragment-based drug discovery (FBDD) using 3-dimensional metallofragments is a new strategy for the identification of bioactive molecules.

Nanoparticles mimicking the three-dimensional architecture of enzymes where the reaction occurs down a channel isolated from bulk solution, referred here as nanozymes, were used to explore the impact of nano-confinement on electrocatalytic reactions.

Ag₁₆B₄O₁₀, obtained via hydrothermal synthesis, displays an unprecedented bonding scheme, hosting excess electrons localized pairwise in cluster-like silver subunits.

Nanopipettes were used for real-time investigation into actin dynamics and drug binding at single-molecule resolution, showing promise for a better understanding of the mechanism of protein–protein interactions and drug discovery.

Steric and geometric constraints were used to design unsymmetrical ditopic ligands that form single Pd₂L₄ cage isomers with high fidelity.

A photo-regulated ATP sensor coupled with cationic DQAsomes is developed for spatiotemporally controlled imaging of ATP in the mitochondria of living cells.

A cis-β Fe^II complex having metal- and ligand-centered chirality catalyzes highly regio- and enantioselective alkylation of indoles (at the N1, C2, or C3 position), pyrroles and anilines with α,β-unsaturated 2-acyl imidazoles (48 examples, up to 99% ee).

The time-resolved study reveals several transition states during SDS-induced unfolding of the protein, as well as under refolding of the protein by the nonionic surfactant C₁₂E₈.

A new potential deep-ultraviolet nonlinear optical material CsAlB₃O₆F was designed by a rational selection of fundamental structural units. This material does not require toxic raw materials and can be grown in an open system.

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.

An artificial approach has been developed for efficient biosynthesis of plant tetrahydroisoquinoline alkaloids from dihydroisoquinoline precursors.

Ptychographic X-ray computed tomography visualizes the effects crystallography and solution composition have on occlusion motif and occlusion density of crystalline nanocomposites.

A toolkit of two complementary dynamic covalent nanoparticles enables programmable and reversible nanoparticle functionalization and construction of adaptive binary assemblies.

Highly enantioselective CuAAC reactions for the synthesis of versatile P-chiral phosphorus synthons featuring a versatile ethynyl group were developed.

DNA tetrahedron nanostructures (DTNSs) were prepared to improve the accuracy of cancer diagnosis through real-time monitoring and imaging three intracellular miRNAs, as well as to realize cancer therapy induced by miRNA silencing.

Asymmetrical Pacman dinuclear Co bisporphyrin shows significantly improved activity and selectivity for catalytic reduction of O₂ to water in comparison with corresponding mononuclear Co porphyrins and symmetrical dinuclear Co bisporphyrins.

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.

A detailed study on the uptake and antimicrobial activity of a Ru^II theranostic complex with wild-type S. aureus, MRSA, and other mutants has identified the specific resistance mechanisms that Gram-positive bacteria display against this lead.

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.

The Dakin and Baeyer–Villiger (BV) oxidation reactions require addition of peroxides as oxidants and an acid or a base as a catalyst.

A comprehensive and quantitative study of the dynamic process of lipid–DNA conjugate modification onto cell membranes.

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

Interconversions between manganese silylene and silene complexes are reported, including those involving the first spectroscopically observed silene complexes with an SiH substituent, and their involvement in ethylene hydrosilylation is discussed.

An excellent SHG iodate, LiMg(IO₃)₃, has been obtained via the aliovalent substitution of defect-containing M^IV sites with ordered Mg²⁺.

Based on a novel Golgi-targeting phenylsulfonamide group, a two-photon (TP) fluorescent probe, Np-Golgi, was developed for in situ H₂O₂ ratiometric imaging in living systems.

Modulating MWD through precise blending of discrete macromolecules provides a model platform for highlighting the importance of chain length heterogeneity.

Hydrolysis-based H₂Se donors provide new chemical tools for investigating biological H₂Se.

(3 + 2) annulation of cyclopropenes and aminocyclopropanes under mild photoredox conditions leading to bicyclo[3.1.0]hexanes with high diastereoselectivity for fluorinated derivatives.

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.

A novel Ru/YH₃ catalyst with excellent performance in terms of activity and stereoselectivity for hydrogenation of N-heterocycles is developed.

Studies of S-linked glycoconjugates have attracted growing interest because of their enhanced chemical stability and enzymatic resistance over O-glycoside counterparts.

Two prominent trifluoromethylation reagent classes join forces in a bench stable hypervalent iodosulfoximine CF₃ transfer agent. We report its synthesis, properties and reactivity, opening up new possibilities in trifluoromethylation chemistry.

Weakly blue emitting EAPbBr₃ NCs transformed into a highly intense blue material after embedding inside metal–organic gel (MOG) matrix. The nanocomposite showing outstanding stability in water and under UV light for longer period of time.

The study of coherence between excitonic states in naturally occurring photosynthetic systems offers tantalizing prospects for uncovering mechanisms of efficient energy transport.

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

A novel class of bifunctional cyclic phosphine catalysts (Le-Phos) is reported, which showed good performances in enantioselective γ-addition reactions of N-centered nucleophiles and allenoates under mild conditions.

Restricting the internal cavity size of cucurbit[8]uril with auxiliary guests sets up an intermolecular interaction chamber for hydrocarbons, which provides insights into dispersion, arene–hydrocarbon interactions, and desolvation effects.

Developing USP16-selective ubiquitin-based reagents to study USP16 and its related biology.

Transannular carbonyl-olefin metathesis reactions complement existing procedures for related ring-closing, ring-opening, and intermolecular carbonyl-olefin metathesis. This enables molecular editing of steroid-derived frameworks.

An N₂-bridged ditungsten complex is presented that undergoes N₂-splitting or hydrogen evolution upon protonation depending on the acid and reaction conditions. Spectroscopic, kinetic and computational results emphasize the impact of hydrogen bonding on the reaction selectivity.

A heterogeneous nanocomposite of Fe–Fe₃C nanoparticles and Fe–N_x sites on N-doped porous carbon allows for efficient synthesis of quinolines and quinazolinones via oxidative coupling of amines and aldehydes in aq. solution using H₂O₂ as the oxidant.

Highly robust DNA molecule switches were engineered by utilizing single-molecule dynamic three-way junctions.

Artificial templates can control out-of-equilibrium self-assembly in an enzyme-mediated dynamic system of cyclodextrins, even allowing access to products not selected in Nature.

A series of AB alternating polyesters are orthogonally patterned to install two different functionalities at regular intervals along the backbone and with high precision.

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.

The first broad spectrum dendralene synthesis permits the widest structural and substituent variation and promotes applications in step economic synthesis.

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.

The spectral tuning of LH2 antenna complexes arises from H-bonding, acetyl torsion, and inter-chromophore couplings.

Two-dimensional covalent monolayers synthesized at an air/water interface were structurally analyzed by tip-enhanced Raman spectroscopy (TERS). Finally, on-metal surface synthesis of a 2D polymer was demonstrated under ambient conditions.

Iron-based self-assembled optically pure compounds mimic the mechanisms of small peptides, according to biophysical, genomic, transcriptomic and other analyses.

The [Au₁₃₃(SR)₅₂]^q nanocluster is discovered to possess one spin per particle when q = 0, but no unpaired electron when q = +1.

Post translational modifications can help maintain the threaded lasso topology of pseudomycoidin.

The O₂ reduction reaction (ORR) catalysed by iron porphyrins with covalently attached pendant guanidine groups is reported.

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

A practical enantioselective total synthesis of the unnatural (+)-quinine and (−)-9-epi-quinine enantiomers, which are important organocatalysts, is reported.

Machine learning model of the electron densities for analyzing non-covalent interaction patterns in peptides.

A complex interplay of non-ribosomal peptide synthetase domains works together with trans-acting enzymes to ensure effective GPA biosynthesis.

High-throughput automation was used to streamline the synthesis, characterisation, and solubility testing, of new Type II porous liquids, accelerating their discovery.

The edge-cutting design, synthesis and characterization of the so far strongest non-ionic carbon superbases is presented.

α-D-Gal-cyclophellitol cyclosulfamidate is a new class of neutral, conformationally-constrained competitive glycosidase inhibitor that stabilizes α-gal A and prevents its degradation both in vitro and in cellulo by mimicry of the Michaelis complex conformation.

Network-search routines over large graphs of retrosynthetic scenarios are adapted to multi-target design operating on one common search graph enabling design of syntheses of compound libraries or isotopically labelled targets.