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Themed collection 2019 Chemical Science HOT Article Collection

96 items - Showing page 1 of 2
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 Accepted Manuscript - Edge Article

A novel mass spectrometry-cleavable, phosphate-based enrichable and multi-targeting protein cross-linker

From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Accepted Manuscript - Edge Article

A thiochromenone antibiotic derived from Pseudomonas quinolone signal selectively targets the Gram-negative pathogen Moraxella catarrhalis

From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Potent and selective in vitro and in vivo antiproliferative effects of metal–organic trefoil knots

A set of metal–organic trefoil knots (M-TKs) generated by metal-templated self-assembly of a simple pair of chelating ligands were well tolerated in vitro by non-cancer cells but were significantly more potent than cisplatin in both human cancer cells––including those resistant to cisplatin––and in zebrafish embryos.

Graphical abstract: Potent and selective in vitro and in vivo antiproliferative effects of metal–organic trefoil knots
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: Combination of gallium(iii) with acetate for combating antibiotic resistant Pseudomonas aeruginosa
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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−.

Graphical abstract: Ionic liquid cations as methylation agent for extremely weak chalcogenido metalate nucleophiles
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Synthesis of glycopolymers with specificity for bacterial strains via bacteria-guided polymerization

Glycopolymers with specificity to template strain of E. coli were synthesised by the bacteria-sugar monomer-aptation-polymerization.

Graphical abstract: Synthesis of glycopolymers with specificity for bacterial strains via bacteria-guided polymerization
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Interfacial transmetallation synthesis of a platinadithiolene nanosheet as a potential 2D topological insulator

Platinadithiolene nanosheet synthesized by interfacial transmetallation is a possible candidate of a 2D topological insulator at room temperature and an effective catalyst for the electrochemical HER.

Graphical abstract: Interfacial transmetallation synthesis of a platinadithiolene nanosheet as a potential 2D topological insulator
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: Enantioseparation by crystallization using magnetic substrates
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Brønsted acid catalysis – the effect of 3,3′-substituents on the structural space and the stabilization of imine/phosphoric acid complexes

Advanced NMR and theoretical studies reveal detailed insights into monomeric and dimeric structures plus deviating experimental and theoretical E/Z-populations.

Graphical abstract: Brønsted acid catalysis – the effect of 3,3′-substituents on the structural space and the stabilization of imine/phosphoric acid complexes
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Using coligands to gain mechanistic insight into iridium complexes hyperpolarized with para-hydrogen

Hyperpolarised iridium carboxyimine complexes yield diagnostic signals whilst undergoing ligand exchange processes rationalised by NMR and DFT.

Graphical abstract: Using coligands to gain mechanistic insight into iridium complexes hyperpolarized with para-hydrogen
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Accepted Manuscript - Edge Article

Atomic Resolution Map of the Soluble Amyloid Beta Assembly Toxic Surfaces

From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Quo vadis niobium? Divergent coordination behavior of early-transition metals towards MOF-5

Despite its prevalence, cation exchange is not the only immobilization pathway for foreign cations in the epochal MOF-5 metal–organic framework.

Graphical abstract: Quo vadis niobium? Divergent coordination behavior of early-transition metals towards MOF-5
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Theoretical design of a technetium-like alloy and its catalytic properties

Based on the concept of density of states (DOS) engineering, we theoretically designed a pseudo-Tc material (Mo–Ru alloy) and investigated its electronic structure, phase stability and catalytic activity by using density functional theory.

Graphical abstract: Theoretical design of a technetium-like alloy and its catalytic properties
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Synergetic interaction between neighboring platinum and ruthenium monomers boosts CO oxidation

The synergetic effect between neighboring Pt and Ru monomers supported on N vacancy-rich g-C3N4 promotes the catalytic CO oxidation.

Graphical abstract: Synergetic interaction between neighboring platinum and ruthenium monomers boosts CO oxidation
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Photoelectric effect accelerated electrochemical corrosion and nanoimprint processes on gallium arsenide wafers

Here we report photoelectric-effect-enhanced interfacial charge transfer reactions.

Graphical abstract: Photoelectric effect accelerated electrochemical corrosion and nanoimprint processes on gallium arsenide wafers
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Highly regioselective complexation of tungsten with Eu@C82/Eu@C84: interplay between endohedral and exohedral metallic units induced by electron transfer

Interplay between inner and outer metallic units induced by charge transfer is observed in tungsten complexes of Eu@C2(5)-C82 and Eu@C2(13)-C84.

Graphical abstract: Highly regioselective complexation of tungsten with Eu@C82/Eu@C84: interplay between endohedral and exohedral metallic units induced by electron transfer
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

The antioxidant activity of polysulfides: it's radical!

Sulfurized olefins (polysulfides) containing four (or more) sulfur atoms react efficiently with peroxyl radicals by homolytic substitution, accounting for their primary antioxidant activity.

Graphical abstract: The antioxidant activity of polysulfides: it's radical!
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

NosL is a dedicated copper chaperone for assembly of the CuZ center of nitrous oxide reductase

The Cu(I)-binding protein NosL functions specifically as an assembly factor for the unique CuZ centre of nitrous oxide reductase (N2OR).

Graphical abstract: NosL is a dedicated copper chaperone for assembly of the CuZ center of nitrous oxide reductase
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Synthesis and characterization of an unnatural boron and nitrogen-containing tryptophan analogue and its incorporation into proteins

A boron and nitrogen containing unnatural analogue of tryptophan is synthesized and incorporated into proteins.

Graphical abstract: Synthesis and characterization of an unnatural boron and nitrogen-containing tryptophan analogue and its incorporation into proteins
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Triperyleno[3,3,3]propellane triimides: achieving a new generation of quasi-D3h symmetric nanostructures in organic electronics

A novel propellane rylene imide is synthesized. It serves as a versatile building block for quasi-D3h symmetric nanostructures.

Graphical abstract: Triperyleno[3,3,3]propellane triimides: achieving a new generation of quasi-D3h symmetric nanostructures in organic electronics
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: Mapping binary copolymer property space with neural networks
From the themed collection: 2019 ChemSci Pick of the Week Collection
Open Access Edge Article

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.

Graphical abstract: A sulfonium tethered peptide ligand rapidly and selectively modifies protein cysteine in vicinity
From the themed collection: 2019 ChemSci Pick of the Week Collection
Open Access Edge Article

Diketopyrrolopyrrole-based fluorescence probes for the imaging of lysosomal Zn2+ and identification of prostate cancer in human tissue

Diketopyrrolopyrrole-based fluorescent probes have been developed for the detection of low pH and Zn2+ in an AND logic fashion. They can discriminate between cancerous and healthy prostate tissue.

Graphical abstract: Diketopyrrolopyrrole-based fluorescence probes for the imaging of lysosomal Zn2+ and identification of prostate cancer in human tissue
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: Synthesis of sterically hindered 4,5-diarylphenanthrenes via acid-catalyzed bisannulation of benzenediacetaldehydes with alkynes
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence

Alkali metal complexes of an enantiopure iminophosphonamide bearing chiral centers at both nitrogen atoms are described. They show bright phosphorescence and thermally activated delayed fluorescence (TADF).

Graphical abstract: Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

One metal is enough: a nickel complex reduces nitrate anions to nitrogen gas

A nickel complex was found to be capable of stepwise reducing nitrate to dinitrogen gas using carbon monoxide as the reaction partner.

Graphical abstract: One metal is enough: a nickel complex reduces nitrate anions to nitrogen gas
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

A rhodium catalyzed cycloisomerization and tandem Diels–Alder reaction for facile access to diverse bicyclic and tricyclic heterocycles

A rhodium catalyzed cycloisomerization of 1,6-allenenes successfully prepared six-membered ring exocyclic 1,3-dienes. Further tandem Diels–Alder reaction with various dienophiles provided diverse bicyclic and tricyclic heterocycles. This methodology is characterised by complete atom and step economy, low catalyst loading, and excellent chemo-, regio-, and diastereoselectivity.

Graphical abstract: A rhodium catalyzed cycloisomerization and tandem Diels–Alder reaction for facile access to diverse bicyclic and tricyclic heterocycles
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Chiral diversification through the assembly of achiral phenylacetylene macrocycles with a two-fold bridge

Multiple chiral molecules were generated through the assembly and double-bridging of achiral phenylacetylene macrocycles.

Graphical abstract: Chiral diversification through the assembly of achiral phenylacetylene macrocycles with a two-fold bridge
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

The full dynamics of energy relaxation in large organic molecules: from photo-excitation to solvent heating

In some molecular systems, such as nucleobases, polyenes or sunscreens, substantial amounts of photo-excitation energy are dissipated on a sub-picosecond time scale. Where does this energy go or among which degrees of freedom it is being distributed at such early times?

Graphical abstract: The full dynamics of energy relaxation in large organic molecules: from photo-excitation to solvent heating
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Photon upconversion utilizing energy beyond the band gap of crystalline silicon with a hybrid TES-ADT/PbS quantum dots system

Photon upconversion with an excitation of energy below the band gap of crystalline silicon was demonstrated with a hybrid system consisting of molecules based on a thiophene conjugated acene (i.e., TES-ADT) and lead sulphide (PbS) quantum dots.

Graphical abstract: Photon upconversion utilizing energy beyond the band gap of crystalline silicon with a hybrid TES-ADT/PbS quantum dots system
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Direct conversion of phenols into primary anilines with hydrazine catalyzed by palladium

A general and practical method to directly convert phenols into primary anilines with cheap and easy-to-handle hydrazine as the amine and hydride sources catalyzed by Pd/C.

Graphical abstract: Direct conversion of phenols into primary anilines with hydrazine catalyzed by palladium
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Breaking the 1,2-HOPO barrier with a cyclen backbone for more efficient sensitization of Eu(III) luminescence and unprecedented two-photon excitation properties

Breaking the barrier of 1,2 HOPO complexes with extremely emissive Eu-Cy-HOPO (overall quantum yield −30.2%) that displays two photon properties.

Graphical abstract: Breaking the 1,2-HOPO barrier with a cyclen backbone for more efficient sensitization of Eu(iii) luminescence and unprecedented two-photon excitation properties
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Direct observation of prion protein oligomer formation reveals an aggregation mechanism with multiple conformationally distinct species

The aggregation of the prion protein (PrP) plays a key role in the development of prion diseases.

Graphical abstract: Direct observation of prion protein oligomer formation reveals an aggregation mechanism with multiple conformationally distinct species
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: Helical orbitals and circular currents in linear carbon wires
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Photoinitiated carbonyl-metathesis: deoxygenative reductive olefination of aromatic aldehydes via photoredox catalysis

Carbonyl–carbonyl olefination, known as McMurry reaction, represents a powerful strategy for the construction of olefins.

Graphical abstract: Photoinitiated carbonyl-metathesis: deoxygenative reductive olefination of aromatic aldehydes via photoredox catalysis
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: Aqueous acid-based synthesis of lead-free tin halide perovskites with near-unity photoluminescence quantum efficiency
From the themed collection: 2019 ChemSci Pick of the Week Collection
Open Access Edge Article

Deep neural network learning of complex binary sorption equilibria from molecular simulation data

We employed deep neural networks (NNs) as an efficient and intelligent surrogate of molecular simulations for complex sorption equilibria using probabilistic modeling.

Graphical abstract: Deep neural network learning of complex binary sorption equilibria from molecular simulation data
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Construction of a cross-layer linked G-octamer via conformational control: a stable G-quadruplex in H-bond competitive solvents

A discrete and well-defined G-octamer system has been established through conformational design of monomers. The crystal structures of G-octamers were obtained for the first time. The covalent linked G-quadruplex exhibited significantly improved stability in both methanol and DMSO.

Graphical abstract: Construction of a cross-layer linked G-octamer via conformational control: a stable G-quadruplex in H-bond competitive solvents
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Anisotropic strain release in a thermosalient crystal: correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion

We report the salient effect of the crystal of gold complex that bridges the gap between macroscopic mechanical movements (i.e., jump) and microscopic changes of the crystal structure.

Graphical abstract: Anisotropic strain release in a thermosalient crystal: correlation between the microscopic orientation of molecular rearrangements and the macroscopic mechanical motion
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Highly selective palladium-catalyzed one-pot, five-fold B–H/C–H cross coupling of monocarboranes with alkenes

Palladium-catalyzed five-fold B–H/C–H cross coupling of monocarboranes with alkenes enables the synthesis of selectively penta-functionalized boron clusters.

Graphical abstract: Highly selective palladium-catalyzed one-pot, five-fold B–H/C–H cross coupling of monocarboranes with alkenes
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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).

Graphical abstract: Carbon monoxide insertion at a heavy p-block element: unprecedented formation of a cationic bismuth carbamoyl
From the themed collection: 2019 ChemSci Pick of the Week Collection
Open Access Edge Article

Constructing new metal–organic frameworks with complicated ligands from “One-Pot” in situ reactions

A “One-Pot” strategy has been developed to construct new metal–organic frameworks with complicated ligands from simple precursors by integrating organic and coordination chemistry.

Graphical abstract: Constructing new metal–organic frameworks with complicated ligands from “One-Pot” in situ reactions
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: A catalytic protein–proteomimetic complex: using aromatic oligoamide foldamers as activators of RNase S
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: Controlling a burn: outer-sphere gating of hydroxylamine oxidation by a distal base in cytochrome P460
From the themed collection: 2019 ChemSci Pick of the Week Collection
Open Access Edge Article

Thorium- and uranium-azide reductions: a transient dithorium-nitride versus isolable diuranium-nitrides

Evidence for a transient, highly reactive ThNTh nitride is presented, in contrast to uranium analogues that are stable and isolable. Surprisingly, computational studies reveal a σ > π energy ordering for all these bridging nitride bonds, a phenomenon for actinides only observed before in terminal uranium nitrides and uranyl.

Graphical abstract: Thorium- and uranium-azide reductions: a transient dithorium-nitride versus isolable diuranium-nitrides
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Dithiane-directed Rh(III)-catalyzed amidation of unactivated C(sp3)–H bonds

A Rh(III) catalysed dithiane directed C(sp3)–H amidation for the synthesis of usefully protected β-aminoaldehyde derivatives is described.

Graphical abstract: Dithiane-directed Rh(iii)-catalyzed amidation of unactivated C(sp3)–H bonds
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Revising the measurement process in the variational quantum eigensolver: is it possible to reduce the number of separately measured operators?

We have introduced two approaches to reduce the number of separately measured terms in molecular Hamiltonians within the Variational Quantum Eigensolver (VQE) technique for solving the electronic structure problem.

Graphical abstract: Revising the measurement process in the variational quantum eigensolver: is it possible to reduce the number of separately measured operators?
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Facile synthesis of AIEgens with wide color tunability for cellular imaging and therapy

Facile synthesis and bio-applications of a series of AIEgens with widely tunable emissions ranging from violet to near-infrared are reported.

Graphical abstract: Facile synthesis of AIEgens with wide color tunability for cellular imaging and therapy
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

A chemical reaction controlled by light-activated molecular switches based on hetero-cyclopentanediyls

Biradicals were applied as molecular switches to control chemical reactions that involve the activation of small molecules. The mechanism was studied by experimental and computational methods.

Graphical abstract: A chemical reaction controlled by light-activated molecular switches based on hetero-cyclopentanediyls
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

A dinuclear ruthenium(II) phototherapeutic that targets duplex and quadruplex DNA

A previously reported dinuclear DNA imaging probe has been converted into a phototherapeutic through the incorporation of RuII(TAP)2 fragments (TAP = 1,4,5,8-3 tetraazaphenanthrene).

Graphical abstract: A dinuclear ruthenium(ii) phototherapeutic that targets duplex and quadruplex DNA
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: ppm Pd-catalyzed, Cu-free Sonogashira couplings in water using commercially available catalyst precursors
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: Catalytic asymmetric allylation of aldehydes with alkenes through allylic C(sp3)–H functionalization mediated by organophotoredox and chiral chromium hybrid catalysis
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Nickel-catalyzed anti-Markovnikov hydroarylation of alkenes

We have developed a nickel-catalyzed anti-Markovnikov hydroarylation of alkenes using aryl halides as coupling partners.

Graphical abstract: Nickel-catalyzed anti-Markovnikov hydroarylation of alkenes
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Catalytic radical difluoromethoxylation of arenes and heteroarenes

The first visible light photocatalytic generation and utilization of the OCF2H radical for direct (hetero)aryl C–H difluoromethoxylation at room temperature.

Graphical abstract: Catalytic radical difluoromethoxylation of arenes and heteroarenes
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Hydroxyl-mediated ethanol selectivity of CO2 hydrogenation

This paper describes the promotional effect of hydroxyl groups over RhFeLi/TiO2 catalysts for the ethanol synthesis via CO2 hydrogenation.

Graphical abstract: Hydroxyl-mediated ethanol selectivity of CO2 hydrogenation
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Stereoselective synthesis of alkyl-, aryl-, vinyl- and alkynyl-substituted Z-enamides and enol ethers

Highly stereoselective synthesis of Z-enamides and enol ethers at room temperature via an umpolung/cross coupling strategy applicable to drugs and natural products.

Graphical abstract: Stereoselective synthesis of alkyl-, aryl-, vinyl- and alkynyl-substituted Z-enamides and enol ethers
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Acyclic 1,2-dimagnesioethanes/-ethene derived from magnesium(I) compounds: multipurpose reagents for organometallic synthesis

The sometimes redox reversible 1,2-additions of magnesium(I) dimers across several alkenes and one alkyne yield 1,2-dimagnesioethanes and a 1,2-dimagnesioethene. Treatment of these with bulky amido metal halide precursors affords novel products via three reactivity modes.

Graphical abstract: Acyclic 1,2-dimagnesioethanes/-ethene derived from magnesium(i) compounds: multipurpose reagents for organometallic synthesis
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Enantioselective intramolecular C–H amination of aliphatic azides by dual ruthenium and phosphine catalysis

By combining a chiral-at-metal ruthenium catalyst with catalytic amounts of tris(p-fluorophenyl)phosphine (both 1 mol%), the challenging catalytic enantioselective ring-closing C(sp3)-H amination of unactivated aliphatic azides has been achieved with high enantioselectivities.

Graphical abstract: Enantioselective intramolecular C–H amination of aliphatic azides by dual ruthenium and phosphine catalysis
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: An Al-doped SrTiO3 photocatalyst maintaining sunlight-driven overall water splitting activity for over 1000 h of constant illumination
From the themed collection: 2019 ChemSci Pick of the Week Collection
Open Access Edge Article

Dinuclear manganese alkoxide complexes as catalysts for C–N bond cleavage of simple tertiary N,N-dialkylamides to give esters

Amide bonds are stable due to the resonance between the nitrogen lone pair and the carbonyl moiety, and therefore the chemical transformation of amides, especially tertiary amides, involving C–N bond fission is considered one of the most difficult organic reactions, unavoidably requiring harsh reaction conditions and strong acids or bases.

Graphical abstract: Dinuclear manganese alkoxide complexes as catalysts for C–N bond cleavage of simple tertiary N,N-dialkylamides to give esters
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Cooperativity basis for small-molecule stabilization of protein–protein interactions

A cooperativity framework to describe and interpret small-molecule stabilization of protein–protein interactions (PPI) is presented, which allows elucidating structure–activity relationships regarding cooperativity and intrinsic affinity.

Graphical abstract: Cooperativity basis for small-molecule stabilization of protein–protein interactions
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Insights into mechanochemical reactions at the molecular level: simulated indentations of aspirin and meloxicam crystals

Working towards a fundamental description of mechanochemical reactions through the use of classical molecular dynamics simulations. Capturing the transfer of molecules between two non-volatile molecular crystals during mechanochemical events.

Graphical abstract: Insights into mechanochemical reactions at the molecular level: simulated indentations of aspirin and meloxicam crystals
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

From nano-balls to nano-bowls

Depending on the reaction conditions, either guest or host truncation is observed upon self-assembly of [Cp*Fe(η5-P5)], [(CpCr)25-As5)] and copper halides.

Graphical abstract: From nano-balls to nano-bowls
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Structure revision of cryptosporioptides and determination of the genetic basis for dimeric xanthone biosynthesis in fungi

Three novel dimeric xanthones, cryptosporioptides A–C were isolated from Cryptosporiopsis sp. 8999 and their structures elucidated.

Graphical abstract: Structure revision of cryptosporioptides and determination of the genetic basis for dimeric xanthone biosynthesis in fungi
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Through-space charge transfer hexaarylbenzene dendrimers with thermally activated delayed fluorescence and aggregation-induced emission for efficient solution-processed OLEDs

Through-space charge transfer hexaarylbenzene dendrimers containing circularly-arrayed electron donors and acceptors exhibit thermally activated delayed fluorescence and aggregation-induced emission effects, giving EQE of 14.2% for solution-processed OLEDs.

Graphical abstract: Through-space charge transfer hexaarylbenzene dendrimers with thermally activated delayed fluorescence and aggregation-induced emission for efficient solution-processed OLEDs
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

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.

Graphical abstract: A molecular picture of surface interactions of organic compounds on prevalent indoor surfaces: limonene adsorption on SiO2
From the themed collection: 2019 ChemSci Pick of the Week Collection
Open Access Edge Article

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.

Graphical abstract: Influence of intramolecular secondary sphere hydrogen-bonding interactions on cytochrome c oxidase inspired low-spin heme–peroxo–copper complexes
From the themed collection: 2019 ChemSci Pick of the Week Collection
Open Access Edge Article

Achieving efficient and robust catalytic reforming on dual-sites of Cu species

This paper describes how Cu+ species act as electrophilic sites to facilitate the adsorption and activation of formate and restrict the Ostwald ripening of Cu species, leading to an efficient and robust steam reforming of bio-DME.

Graphical abstract: Achieving efficient and robust catalytic reforming on dual-sites of Cu species
From the themed collection: 2019 Chemical Science HOT Article Collection
Open Access Edge Article

Heterolytic bond activation at gold: evidence for gold(III) H–B, H–Si complexes, H–H and H–C cleavage

Gold(III) forms spectroscopically detectable H–B and H–Si σ-complexes; experiments and DFT calculations demonstrate heterolytic H–Si, H–H and H–C bond cleavage.

Graphical abstract: Heterolytic bond activation at gold: evidence for gold(iii) H–B, H–Si complexes, H–H and H–C cleavage
From the themed collection: 2019 Chemical Science HOT Article Collection
96 items - Showing page 1 of 2

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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