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Themed collection 2019 Chemical Science HOT Article Collection

215 items - Showing page 1 of 4
Open Access Perspective

Metal–organic framework gels and monoliths

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

Graphical abstract: Metal–organic framework gels and monoliths
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Perspective

Current advances in tin cluster chemistry

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

Graphical abstract: Current advances in tin cluster chemistry
Open Access Perspective

New avenues for C–B bond formation via radical intermediates

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.

Graphical abstract: New avenues for C–B bond formation via radical intermediates
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Perspective

A review of biomass materials for advanced lithium–sulfur batteries

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.

Graphical abstract: A review of biomass materials for advanced lithium–sulfur batteries
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Minireview

Influenza as a molecular walker

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

Graphical abstract: Influenza as a molecular walker
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Minireview

Reductive radical-polar crossover: traditional electrophiles in modern radical reactions

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.

Graphical abstract: Reductive radical-polar crossover: traditional electrophiles in modern radical reactions
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Minireview

Visual kinetic analysis

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

Graphical abstract: Visual kinetic analysis
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery

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

Graphical abstract: Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery
From the themed collection: 2020 ChemSci Pick of the Week Collection
Open Access Edge Article

The importance of nanoscale confinement to electrocatalytic performance

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.

Graphical abstract: The importance of nanoscale confinement to electrocatalytic performance
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Uncommon structural and bonding properties in Ag16B4O10

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

Graphical abstract: Uncommon structural and bonding properties in Ag16B4O10
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Single-molecule nanopore sensing of actin dynamics and drug binding

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.

Graphical abstract: Single-molecule nanopore sensing of actin dynamics and drug binding
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Conformational control of Pd2L4 assemblies with unsymmetrical ligands

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

Graphical abstract: Conformational control of Pd2L4 assemblies with unsymmetrical ligands
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

A photo-regulated aptamer sensor for spatiotemporally controlled monitoring of ATP in the mitochondria of living cells

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

Graphical abstract: A photo-regulated aptamer sensor for spatiotemporally controlled monitoring of ATP in the mitochondria of living cells
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Chiral cis-iron(II) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics

A cis-β FeII 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).

Graphical abstract: Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

A complete picture of protein unfolding and refolding in surfactants

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.

Graphical abstract: A complete picture of protein unfolding and refolding in surfactants
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

CsAlB3O6F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability

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.

Graphical abstract: CsAlB3O6F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Manipulating molecules with strong coupling: harvesting triplet excitons in organic exciton microcavities

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.

Graphical abstract: Manipulating molecules with strong coupling: harvesting triplet excitons in organic exciton microcavities
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Chelation with a twist: a bifunctional chelator to enable room temperature radiolabeling and targeted PET imaging with scandium-44

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

Graphical abstract: Chelation with a twist: a bifunctional chelator to enable room temperature radiolabeling and targeted PET imaging with scandium-44
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Biosynthesis of plant tetrahydroisoquinoline alkaloids through an imine reductase route

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

Graphical abstract: Biosynthesis of plant tetrahydroisoquinoline alkaloids through an imine reductase route
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Ptychographic X-ray tomography reveals additive zoning in nanocomposite single crystals

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

Graphical abstract: Ptychographic X-ray tomography reveals additive zoning in nanocomposite single crystals
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Programmable dynamic covalent nanoparticle building blocks with complementary reactivity

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

Graphical abstract: Programmable dynamic covalent nanoparticle building blocks with complementary reactivity
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Enantioselective synthesis of P-chiral tertiary phosphine oxides with an ethynyl group via Cu(I)-catalyzed azide–alkyne cycloaddition

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

Graphical abstract: Enantioselective synthesis of P-chiral tertiary phosphine oxides with an ethynyl group via Cu(i)-catalyzed azide–alkyne cycloaddition
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Accurate cancer cell identification and microRNA silencing induced therapy using tailored DNA tetrahedron nanostructures

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.

Graphical abstract: Accurate cancer cell identification and microRNA silencing induced therapy using tailored DNA tetrahedron nanostructures
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Significantly improved electrocatalytic oxygen reduction by an asymmetrical Pacman dinuclear cobalt(II) porphyrin–porphyrin dyad

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.

Graphical abstract: Significantly improved electrocatalytic oxygen reduction by an asymmetrical Pacman dinuclear cobalt(ii) porphyrin–porphyrin dyad
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Covalent bonds in positron dihalides

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

Graphical abstract: Covalent bonds in positron dihalides
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Ruthenium based antimicrobial theranostics – using nanoscopy to identify therapeutic targets and resistance mechanisms in Staphylococcus aureus

A detailed study on the uptake and antimicrobial activity of a RuII 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.

Graphical abstract: Ruthenium based antimicrobial theranostics – using nanoscopy to identify therapeutic targets and resistance mechanisms in Staphylococcus aureus
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

RNA imaging in living mice enabled by an in vivo hybridization chain reaction circuit with a tripartite DNA probe

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.

Graphical abstract: RNA imaging in living mice enabled by an in vivo hybridization chain reaction circuit with a tripartite DNA probe
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Aqueous microdroplets containing only ketones or aldehydes undergo Dakin and Baeyer–Villiger reactions

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

Graphical abstract: Aqueous microdroplets containing only ketones or aldehydes undergo Dakin and Baeyer–Villiger reactions
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

A quantitative assessment of the dynamic modification of lipid–DNA probes on live cell membranes

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

Graphical abstract: A quantitative assessment of the dynamic modification of lipid–DNA probes on live cell membranes
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

A pencil-and-paper method for elucidating halide double perovskite band structures

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

Graphical abstract: A pencil-and-paper method for elucidating halide double perovskite band structures
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Interconversion and reactivity of manganese silyl, silylene, and silene complexes

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.

Graphical abstract: Interconversion and reactivity of manganese silyl, silylene, and silene complexes
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

LiMg(IO3)3: an excellent SHG material designed by single-site aliovalent substitution

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

Graphical abstract: LiMg(IO3)3: an excellent SHG material designed by single-site aliovalent substitution
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Ratiometric fluorescence imaging of Golgi H2O2 reveals a correlation between Golgi oxidative stress and hypertension

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.

Graphical abstract: Ratiometric fluorescence imaging of Golgi H2O2 reveals a correlation between Golgi oxidative stress and hypertension
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Precise modulation of molecular weight distribution for structural engineering

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

Graphical abstract: Precise modulation of molecular weight distribution for structural engineering
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Development of a hydrolysis-based small-molecule hydrogen selenide (H2Se) donor

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

Graphical abstract: Development of a hydrolysis-based small-molecule hydrogen selenide (H2Se) donor
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Synthesis of bicyclo[3.1.0]hexanes by (3 + 2) annulation of cyclopropenes with aminocyclopropanes

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

Graphical abstract: Synthesis of bicyclo[3.1.0]hexanes by (3 + 2) annulation of cyclopropenes with aminocyclopropanes
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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+.

Graphical abstract: Dissociation path competition of radiolysis ionization-induced molecule damage under electron beam illumination
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Identifying high-performance catalytic conditions for carbon dioxide reduction to dimethoxymethane by multivariate modelling

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

Graphical abstract: Identifying high-performance catalytic conditions for carbon dioxide reduction to dimethoxymethane by multivariate modelling
From the themed collection: 2019 ChemSci Pick of the Week Collection
Open Access Edge Article

A rare earth hydride supported ruthenium catalyst for the hydrogenation of N-heterocycles: boosting the activity via a new hydrogen transfer path and controlling the stereoselectivity

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

Graphical abstract: A rare earth hydride supported ruthenium catalyst for the hydrogenation of N-heterocycles: boosting the activity via a new hydrogen transfer path and controlling the stereoselectivity
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Facile triflic acid-catalyzed α-1,2-cis-thio glycosylations: scope and application to the synthesis of S-linked oligosaccharides, glycolipids, sublancin glycopeptides, and TN/TF antigens

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

Graphical abstract: Facile triflic acid-catalyzed α-1,2-cis-thio glycosylations: scope and application to the synthesis of S-linked oligosaccharides, glycolipids, sublancin glycopeptides, and TN/TF antigens
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Merging hypervalent iodine and sulfoximine chemistry: a new electrophilic trifluoromethylation reagent

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.

Graphical abstract: Merging hypervalent iodine and sulfoximine chemistry: a new electrophilic trifluoromethylation reagent
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

A hybrid blue perovskite@metal–organic gel (MOG) nanocomposite: simultaneous improvement of luminescence and stability

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.

Graphical abstract: A hybrid blue perovskite@metal–organic gel (MOG) nanocomposite: simultaneous improvement of luminescence and stability
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Electronic coherence lifetimes of the Fenna–Matthews–Olson complex and light harvesting complex II

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

Graphical abstract: Electronic coherence lifetimes of the Fenna–Matthews–Olson complex and light harvesting complex II
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: Electronic structures of bent lanthanide(III) complexes with two N-donor ligands
From the themed collection: 2019 ChemSci Pick of the Week Collection
Open Access Edge Article

Design, synthesis and application of a new type of bifunctional Le-Phos in highly enantioselective γ-addition reactions of N-centered nucleophiles to allenoates

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.

Graphical abstract: Design, synthesis and application of a new type of bifunctional Le-Phos in highly enantioselective γ-addition reactions of N-centered nucleophiles to allenoates
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Preferential binding of unsaturated hydrocarbons in aryl-bisimidazolium·cucurbit[8]uril complexes furbishes evidence for small-molecule π–π interactions

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.

Graphical abstract: Preferential binding of unsaturated hydrocarbons in aryl-bisimidazolium·cucurbit[8]uril complexes furbishes evidence for small-molecule π–π interactions
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Development of a DUB-selective fluorogenic substrate

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

Graphical abstract: Development of a DUB-selective fluorogenic substrate
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Catalytic, transannular carbonyl-olefin metathesis reactions

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.

Graphical abstract: Catalytic, transannular carbonyl-olefin metathesis reactions
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Selectivity of tungsten mediated dinitrogen splitting vs. proton reduction

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.

Graphical abstract: Selectivity of tungsten mediated dinitrogen splitting vs. proton reduction
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Synergistic catalysis on Fe–Nx sites and Fe nanoparticles for efficient synthesis of quinolines and quinazolinones via oxidative coupling of amines and aldehydes

A heterogeneous nanocomposite of Fe–Fe3C nanoparticles and Fe–Nx 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.

Graphical abstract: Synergistic catalysis on Fe–Nx sites and Fe nanoparticles for efficient synthesis of quinolines and quinazolinones via oxidative coupling of amines and aldehydes
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Single-molecule dynamic DNA junctions for engineering robust molecular switches

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

Graphical abstract: Single-molecule dynamic DNA junctions for engineering robust molecular switches
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Enzyme-mediated dynamic combinatorial chemistry allows out-of-equilibrium template-directed synthesis of macrocyclic oligosaccharides

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.

Graphical abstract: Enzyme-mediated dynamic combinatorial chemistry allows out-of-equilibrium template-directed synthesis of macrocyclic oligosaccharides
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Orthogonal functionalization of alternating polyesters: selective patterning of (AB)n sequences

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

Graphical abstract: Orthogonal functionalization of alternating polyesters: selective patterning of (AB)n sequences
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices
From the themed collection: 2019 ChemSci Pick of the Week Collection
Open Access Edge Article

A general synthesis of dendralenes

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

Graphical abstract: A general synthesis of dendralenes
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: Anion carriers as potential treatments for cystic fibrosis: transport in cystic fibrosis cells, and additivity to channel-targeting drugs
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling

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

Graphical abstract: The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Tip-enhanced Raman spectroscopy for structural analysis of two-dimensional covalent monolayers synthesized on water and on Au (111)

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.

Graphical abstract: Tip-enhanced Raman spectroscopy for structural analysis of two-dimensional covalent monolayers synthesized on water and on Au (111)
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Metallohelices that kill Gram-negative pathogens using intracellular antimicrobial peptide pathways

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

Graphical abstract: Metallohelices that kill Gram-negative pathogens using intracellular antimicrobial peptide pathways
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Controlling magnetism of Au133(TBBT)52 nanoclusters at single electron level and implication for nonmetal to metal transition

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

Graphical abstract: Controlling magnetism of Au133(TBBT)52 nanoclusters at single electron level and implication for nonmetal to metal transition
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Efficient in vivo synthesis of lasso peptide pseudomycoidin proceeds in the absence of both the leader and the leader peptidase

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

Graphical abstract: Efficient in vivo synthesis of lasso peptide pseudomycoidin proceeds in the absence of both the leader and the leader peptidase
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Influence of the distal guanidine group on the rate and selectivity of O2 reduction by iron porphyrin

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

Graphical abstract: Influence of the distal guanidine group on the rate and selectivity of O2 reduction by iron porphyrin
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: Ligand-controlled diastereodivergent, enantio- and regioselective copper-catalyzed hydroxyalkylboration of 1,3-dienes with ketones
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Enantioselective total synthesis of the unnatural enantiomer of quinine

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

Graphical abstract: Enantioselective total synthesis of the unnatural enantiomer of quinine
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Electron density learning of non-covalent systems

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

Graphical abstract: Electron density learning of non-covalent systems
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

A proof-reading mechanism for non-proteinogenic amino acid incorporation into glycopeptide antibiotics

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

Graphical abstract: A proof-reading mechanism for non-proteinogenic amino acid incorporation into glycopeptide antibiotics
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Accelerated robotic discovery of type II porous liquids

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

Graphical abstract: Accelerated robotic discovery of type II porous liquids
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Design of non-ionic carbon superbases: second generation carbodiphosphoranes

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

Graphical abstract: Design of non-ionic carbon superbases: second generation carbodiphosphoranes
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

α-D-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal α-galactosidase A in Fabry disease

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.

Graphical abstract: α-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal α-galactosidase A in Fabry disease
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Computational design of syntheses leading to compound libraries or isotopically labelled targets

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.

Graphical abstract: Computational design of syntheses leading to compound libraries or isotopically labelled targets
From the themed collection: 2019 Chemical Science HOT Article Collection
215 items - Showing page 1 of 4

About this collection

This on-going web collection showcases all of the HOT Chemical Science articles published in 2019, as recommended by referees. Congratulations to all of the authors whose articles are featured.

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