Themed collection 2022 Chemical Science HOT Article Collection

173 items - Showing page 1 of 3
Open Access Perspective

Chemistry must respond to the crisis of transgression of planetary boundaries

Chemistry, the science of transformation of matter, is fundamental to achieving sustainability through ensuring biogeochemical flows do not transgress planetary boundaries. This requires urgent changes in chemistry education, research and industry.

Graphical abstract: Chemistry must respond to the crisis of transgression of planetary boundaries
Open Access Perspective

Perspectives on parity violation in chiral molecules: theory, spectroscopic experiment and biomolecular homochirality

The reflection (or ‘mirror’) symmetry of space is among the fundamental symmetries of physics. It is connected to the conservation law for the quantum number purity and its violation and has a fundamental relation to stereochemistry and molecular chirality.

Graphical abstract: Perspectives on parity violation in chiral molecules: theory, spectroscopic experiment and biomolecular homochirality
Open Access Perspective

Metal–organic frameworks as O2-selective adsorbents for air separations

This Perspective summarizes progress in the development of O2-selective metal–organic frameworks for adsorptive air separations and identifies key metrics and design considerations toward optimizing material performance for practical applications.

Graphical abstract: Metal–organic frameworks as O2-selective adsorbents for air separations
Open Access Perspective

Radical transformations for allene synthesis

Recent important advances in the synthesis of allenes via radical strategies are highlighted.

Graphical abstract: Radical transformations for allene synthesis
Open Access Perspective

Engendering reactivity at group 5-heteroatom multiple bonds via π-loading

The proof is in the π: when more than one π-donor ligand is bound to a group 5 metal center, imido-based reactivity increases.

Graphical abstract: Engendering reactivity at group 5-heteroatom multiple bonds via π-loading
Open Access Perspective

Molecular mechanisms of amyloid formation in living systems

The molecular mechanisms of amyloid formation have been studied extensively in test tube reactions. This perspective article addresses the question to what extent these mechanisms apply to the complex situation in living cells and organisms.

Graphical abstract: Molecular mechanisms of amyloid formation in living systems
From the themed collection: Amyloids and Protein Aggregation
Open Access Perspective

Oriented internal electrostatic fields: an emerging design element in coordination chemistry and catalysis

Internal electrostatic field effects are poised to play a major role in the design of molecular coordination complexes and catalysts.

Graphical abstract: Oriented internal electrostatic fields: an emerging design element in coordination chemistry and catalysis
Open Access Perspective

Reductive aminations by imine reductases: from milligrams to tons

IRED-catalyzed reductive aminations have progressed from mg to ton scale, through advances in enzyme discovery, protein engineering and process biocatalysis.

Graphical abstract: Reductive aminations by imine reductases: from milligrams to tons
Open Access Perspective

Umpolung strategies for the functionalization of peptides and proteins

This perspective highlights the growing body of literature that leverages polarity reversal (umpolung reactivity) for the selective modification of proteinogenic functionalities and identifies opportunities for further innovation.

Graphical abstract: Umpolung strategies for the functionalization of peptides and proteins
From the themed collection: 2022 ChemSci Pick of the Week Collection
Open Access Review Article

Mesoporous ordered films via self-assembly: trends and perspectives

Mesoporous ordered films, from self-assembly to advanced applications.

Graphical abstract: Mesoporous ordered films via self-assembly: trends and perspectives
Open Access Review Article

Bicyclobutanes: from curiosities to versatile reagents and covalent warheads

A flurry of reports for preparing, functionalizing, and using bicyclo[1.1.0]butanes (BCBs) have positioned them to be powerful synthons with numerous applications. This review discusses the recent developments regarding this strained carbocycle.

Graphical abstract: Bicyclobutanes: from curiosities to versatile reagents and covalent warheads
Open Access Review Article

Stability matters, too – the thermodynamics of amyloid fibril formation

The thermodynamics of amyloid formation has largely been neglected compared to kinetic studies. In this review, the current state of the experimental exploration of amyloid thermodynamics is presented and important open questions are highlighted.

Graphical abstract: Stability matters, too – the thermodynamics of amyloid fibril formation
From the themed collection: Amyloids and Protein Aggregation
Open Access Review Article

Reaction dynamics studied via femtosecond X-ray liquidography at X-ray free-electron lasers

Femtosecond X-ray liquidography using X-ray free-electron lasers (XFELs) visualizes various aspects of reaction dynamics.

Graphical abstract: Reaction dynamics studied via femtosecond X-ray liquidography at X-ray free-electron lasers
Open Access Review Article

Halogen bonding and chalcogen bonding mediated sensing

Sigma–hole mediated detection of anions is rapidly emerging as a new paradigm in supramolecular sensor chemistry. Herein, we provide an overview of this field including halogen bonding and chalcogen bonding optical, electrochemical and other sensors.

Graphical abstract: Halogen bonding and chalcogen bonding mediated sensing
From the themed collection: Celebrating five years of ChemRxiv
Open Access Review Article

Bioinspired superwettable electrodes towards electrochemical biosensing

The recent progress of superhydrophilic/phobic electrodes, superaerophilic/phobic electrodes, superwettable patterned electrodes, Janus wettability electrodes and wettability switchable electrodes in electrochemical biosensing is reviewed.

Graphical abstract: Bioinspired superwettable electrodes towards electrochemical biosensing
Open Access Review Article

Electrochemiluminescence with semiconductor (nano)materials

The combination of electrochemiluminescence and semiconductor gives rise to a rich field at the interface of photoelectrochemistry, materials and analytical chemistry. It offers interesting possibilities for ultrasensitive (bio)detection, imaging and light conversion.

Graphical abstract: Electrochemiluminescence with semiconductor (nano)materials
Open Access Edge Article

A carbapenem antibiotic inhibiting a mammalian serine protease: structure of the acylaminoacyl peptidase–meropenem complex

The structure of porcine AAP (pAAP) in a covalently bound complex with meropenem was determined by cryo-EM to 2.1 Å resolution, showing the mammalian serine-protease inhibited by a carbapenem antibiotic.

Graphical abstract: A carbapenem antibiotic inhibiting a mammalian serine protease: structure of the acylaminoacyl peptidase–meropenem complex
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Coordination unsaturation of vanadium nitride quantum dots boosts low-temperature aerobic oxidation of thiophenic sulfides

Vanadium nitride quantum dots are immobilized on graphene to controllably create coordination-unsaturated edge/corner V sites for the efficient aerobic oxidation of thiophenic sulfides.

Graphical abstract: Coordination unsaturation of vanadium nitride quantum dots boosts low-temperature aerobic oxidation of thiophenic sulfides
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Live-cell RNA imaging using the CRISPR-dCas13 system with modified sgRNAs appended with fluorescent RNA aptamers

The development of RNA imaging strategies in live cells is essential to improve our understanding of their role in various cellular functions.

Graphical abstract: Live-cell RNA imaging using the CRISPR-dCas13 system with modified sgRNAs appended with fluorescent RNA aptamers
From the themed collection: In celebration of Chinese New Year
Open Access Edge Article

Uranium(IV) alkyl cations: synthesis, structures, comparison with thorium(IV) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity

Uranium(IV) alkyl cations have been prepared, and arene solvent coordination was shown to have a major impact on ethylene polymerization activity. Actinide-arene binding was studied experimentally in the solid state and solution, and computationally.

Graphical abstract: Uranium(iv) alkyl cations: synthesis, structures, comparison with thorium(iv) analogues, and the influence of arene-coordination on thermal stability and ethylene polymerization activity
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

High-throughput exploration of activity and stability for identifying photoelectrochemical water splitting materials

Activity-stability relations of multinary oxide photoanodes for solar water splitting were measured using an automated flow cell coupled to an ICP-MS and successively visualized with the help of data science tools like principal component analysis.

Graphical abstract: High-throughput exploration of activity and stability for identifying photoelectrochemical water splitting materials
From the themed collection: Editor’s Choice: Vincent Artero
Open Access Edge Article

Room temperature chemoselective hydrogenation of C[double bond, length as m-dash]C, C[double bond, length as m-dash]O and C[double bond, length as m-dash]N bonds by using a well-defined mixed donor Mn(I) pincer catalyst

Chemoselective hydrogenation of C[double bond, length as m-dash]C, C[double bond, length as m-dash]O and C[double bond, length as m-dash]N bonds in α,β-unsaturated ketones, aldehydes and imines is accomplished at room temperature (27 °C) using a well-defined Mn(I) catalyst and 5.0 bar H2.

Graphical abstract: Room temperature chemoselective hydrogenation of C [[double bond, length as m-dash]] C, C [[double bond, length as m-dash]] O and C [[double bond, length as m-dash]] N bonds by using a well-defined mixed donor Mn(i) pincer catalyst
From the themed collection: #RSCPoster Conference
Open Access Edge Article

OSCAR: an extensive repository of chemically and functionally diverse organocatalysts

A database of thousands of experimentally-derived or combinatorially enriched organocatalysts and fragments to navigate chemical space and optimize reaction properties.

Graphical abstract: OSCAR: an extensive repository of chemically and functionally diverse organocatalysts
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

A photo-switchable molecular capsule: sequential photoinduced processes

The metastable trilacunary heteropolyoxomolybdate [PMo9O31(py)3]3−; py = pyridine) and the ditopic pyridyl bearing diarylethene (DAE) (C25H16N2F6S2) self-assemble via a facile ligand replacement methodology to yield the photo-active molecular capsule [(PMo9O31)2(DAE)3]6.

Graphical abstract: A photo-switchable molecular capsule: sequential photoinduced processes
From the themed collection: 2022 ChemSci Pick of the Week Collection
Open Access Edge Article

Electrocatalytic NAD+ reduction via hydrogen atom-coupled electron transfer

A hydrogen atom coupled with electron transfer (HadCET) mechanism is proposed for electrocatalytic NAD+ reduction on metal electrodes (Cu, Fe and Co), in contrast to the NAD˙ radical pathway on carbon electrodes.

Graphical abstract: Electrocatalytic NAD+ reduction via hydrogen atom-coupled electron transfer
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

A robust hollow metal–organic framework with enhanced diffusion for size selective catalysis

A chemically robust single crystalline hollow MOF-801 containing Pt and Au nanoparticles was constructed by using UiO-66 as a sacrificial template for size selective catalysis with fast reaction kinetics under harsh chemical conditions.

Graphical abstract: A robust hollow metal–organic framework with enhanced diffusion for size selective catalysis
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Controlling the fluorescence quantum yields of benzothiazole-difluoroborates by optimal substitution

A full palette of FQY (form ca. 0 to 98%) was covered by exchanging two groups in a series of nine compounds. The darkest (OMe/CF3) and brightest (CF3/OMe) are isomers. All experimental data are supported by TD-DFT calculations.

Graphical abstract: Controlling the fluorescence quantum yields of benzothiazole-difluoroborates by optimal substitution
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Reassessment of N2 activation by low-valent Ti-amide complexes: a remarkable side-on bridged bis-N2 adduct is actually an arene adduct

The complex {(TMEDA)2Li}{[Ti(N(TMS)2)2]2(μ-η22-N2)2} (5-Li) was the only transition metal N2 complex ever reported with two side-on N2 adducts. Reanalysis of 5-Li has revealed that it is an inverse-sandwich toluene adduct, not an N2 adduct.

Graphical abstract: Reassessment of N2 activation by low-valent Ti-amide complexes: a remarkable side-on bridged bis-N2 adduct is actually an arene adduct
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Asymmetric dearomative cyclopropanation of naphthalenes to construct polycyclic compounds

An enantioselective dearomative cyclopropanation of naphthalenes has been developed, which constructed a range of tetracyclic compounds bearing multichiral centers in high enantioselectivity.

Graphical abstract: Asymmetric dearomative cyclopropanation of naphthalenes to construct polycyclic compounds
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Impact of a polymer modifier on directing the non-classical crystallization pathway of TS-1 zeolite: accelerating nucleation and enriching active sites

Polyacrylamide (PAM) was utilized to switch the crystallization pathway of TS-1 zeolite from classical to non-classical by virtue of the specific interaction between PAM and Si/Ti species, thus accelerating nucleation and enriching active sites.

Graphical abstract: Impact of a polymer modifier on directing the non-classical crystallization pathway of TS-1 zeolite: accelerating nucleation and enriching active sites
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Critical stresses in mechanochemical reactions

The rates of mechanochemical reactions are generally found to increase exponentially with applied stress.

Graphical abstract: Critical stresses in mechanochemical reactions
From the themed collection: 2022 ChemSci Pick of the Week Collection
Open Access Edge Article

Tandem electrocatalytic CO2 reduction with Fe-porphyrins and Cu nanocubes enhances ethylene production

Coupling the tunability of molecular catalysts and copper nanocatalysts opens up new possibilities towards the development of Cu-based catalysts with enhanced selectivity for multi-carbon product generation at low overpotential.

Graphical abstract: Tandem electrocatalytic CO2 reduction with Fe-porphyrins and Cu nanocubes enhances ethylene production
From the themed collection: Editor’s Choice: Vincent Artero
Open Access Edge Article

Anthranilamide-protected vinylboronic acid: rational monomer design for improved polymerization/transformation ability providing access to conventionally inaccessible copolymers

We designed a vinyl-boronic-acid protected by anthranilamide as a “transformable” monomer in radical polymerization to synthesize conventionally inaccessible copolymers, such as poly(vinyl alcohol-co-styrene) and poly(ethylene-co-acrylate).

Graphical abstract: Anthranilamide-protected vinylboronic acid: rational monomer design for improved polymerization/transformation ability providing access to conventionally inaccessible copolymers
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

A broadly applicable quantitative relative reactivity model for nucleophilic aromatic substitution (SNAr) using simple descriptors

A model for SNAr reactivity is reported, built from relative rate data obtained by competition studies. Based only on molecular descriptors of the electrophile, the model predicts relative reactivity and site selectivity for many complex substrates.

Graphical abstract: A broadly applicable quantitative relative reactivity model for nucleophilic aromatic substitution (SNAr) using simple descriptors
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Synthesis of phosphiranes via organoiron-catalyzed phosphinidene transfer to electron-deficient olefins

The iconic cyclopentadienyliron dicarbonyl dimer ([CpFe(CO)2]2 or Fp2) catalyzes phosphinidene group transfer from anthracene to activated alkenes, forming new phosphiranes diastereoselectively and with good isolated yields.

Graphical abstract: Synthesis of phosphiranes via organoiron-catalyzed phosphinidene transfer to electron-deficient olefins
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Pattern enrichment analysis for phage selection of stapled peptide ligands

To effectively identify helical peptide binders from a phage library, we developed “pattern enrichment analysis,” which finds the enriched three-residue patterns by comparison with a control sample.

Graphical abstract: Pattern enrichment analysis for phage selection of stapled peptide ligands
From the themed collection: 2022 ChemSci Pick of the Week Collection
Open Access Edge Article

Discovery of a monomeric green fluorescent protein sensor for chloride by structure-guided bioinformatics

We developed a workflow to identify and apply GFPxm163 as a new green fluorescent protein-based sensor for chloride.

Graphical abstract: Discovery of a monomeric green fluorescent protein sensor for chloride by structure-guided bioinformatics
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Precisely synthesized LiF-tipped CoF2-nanorod heterostructures improve energy storage capacities

A facile but robust method to precisely synthesize well-defined LiF-tipped CoF2-nanorod heterostructures is established.

Graphical abstract: Precisely synthesized LiF-tipped CoF2-nanorod heterostructures improve energy storage capacities
From the themed collection: 2022 ChemSci Pick of the Week Collection
Open Access Edge Article

Ultrasensitive chemiluminescent neuraminidase probe for rapid screening and identification of small-molecules with antiviral activity against influenza A virus in mammalian cells

A new chemiluminescence neuraminidase probe enables rapid screening of small molecules that inhibit viral replication, directly in influenza A-infected mammalian cells.

Graphical abstract: Ultrasensitive chemiluminescent neuraminidase probe for rapid screening and identification of small-molecules with antiviral activity against influenza A virus in mammalian cells
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Calculation of exchange couplings in the electronically excited state of molecular three-spin systems

We present a reliable methodology for the calculation of excited state exchange interactions in molecular three-spin systems. Such calculations will help to establish how to optimise inter-spin communication in photogenerated multi-spin systems.

Graphical abstract: Calculation of exchange couplings in the electronically excited state of molecular three-spin systems
From the themed collection: 2022 ChemSci Pick of the Week Collection
Open Access Edge Article

Merging Grubbs second-generation catalyst with photocatalysis enables Z-selective metathesis of olefins: scope, limitations, and mechanism

Light is magic! The combination of Grubbs second generation catalyst, a well-known catalyst for E-selective olefin metathesis, with a photosensitizer enables efficient access to the contra-thermodynamic Z-isomers.

Graphical abstract: Merging Grubbs second-generation catalyst with photocatalysis enables Z-selective metathesis of olefins: scope, limitations, and mechanism
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

End-to-end differentiable construction of molecular mechanics force fields

Graph neural network-based continuous embedding is used to replace a human expert-derived discrete atom typing scheme to parametrize accurate and extensible molecular mechanics force fields.

Graphical abstract: End-to-end differentiable construction of molecular mechanics force fields
From the themed collection: 2022 ChemSci Pick of the Week Collection
Open Access Edge Article

A fourteen-component high-entropy alloy@oxide bifunctional electrocatalyst with a record-low ΔE of 0.61 V for highly reversible Zn–air batteries

Nanostructured high-entropy materials such as alloys, oxides, etc., are attracting extensive attention because of their widely tunable surface electronic structure/catalytic activity through mixing different elements in one system.

Graphical abstract: A fourteen-component high-entropy alloy@oxide bifunctional electrocatalyst with a record-low ΔE of 0.61 V for highly reversible Zn–air batteries
From the themed collection: 2022 ChemSci Pick of the Week Collection
Open Access Edge Article

Alkoxysulfonyl radical species: acquisition and transformation towards sulfonate esters through electrochemistry

A new route to provide alkoxysulfonyl radical species via electrochemical anodic oxidation of inorganic sulfites with alcohols is developed, affording sulfonate esters by subsequent alkene difunctionalization with these alkoxysulfonyl radicals.

Graphical abstract: Alkoxysulfonyl radical species: acquisition and transformation towards sulfonate esters through electrochemistry
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Selective separation of planar and non-planar hydrocarbons using an aqueous Pd6 interlocked cage

We report here a triply interlocked cage with the ability to encapsulate planar guests in aqueous medium. This property was then employed to efficiently separate planar and non-planar aromatic hydrocarbons by aqueous extraction.

Graphical abstract: Selective separation of planar and non-planar hydrocarbons using an aqueous Pd6 interlocked cage
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

A cooperative adsorbent for the switch-like capture of carbon dioxide from crude natural gas

Diamine-appended metal–organic frameworks can be optimized as adsorbents for pressure-swing purification of crude natural gas. A cooperative CO2 binding mechanism enables high CO2 swing capacities and enhanced performance under humid conditions.

Graphical abstract: A cooperative adsorbent for the switch-like capture of carbon dioxide from crude natural gas
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Dual reactivity disulfide bridging reagents; enabling new approaches to antibody fragment bioconjugation

Here we describe the first examples of a new class of disulfide bridging reagents, designed to insert a ‘stable-labile’ linkage; which can then be exploited to generate dual functional antibody fragment conjugates.

Graphical abstract: Dual reactivity disulfide bridging reagents; enabling new approaches to antibody fragment bioconjugation
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

BatteryDataExtractor: battery-aware text-mining software embedded with BERT models

BatteryDataExtractor is the first property-specific text-mining tool for auto-generating databases of materials and their property, device, and associated characteristics. The software has been constructed by embedding the BatteryBERT model.

Graphical abstract: BatteryDataExtractor: battery-aware text-mining software embedded with BERT models
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

A highly contorted push–pull naphthalenediimide dimer and evidence of intramolecular singlet exciton fission

We report for the first-time intramolecular singlet fission (SF) in the naphthalenediimide (NDI) scaffold constrained in a cyclophane architecture, while individually the NDI units does not satisfy the requisite energy criterion for SF.

Graphical abstract: A highly contorted push–pull naphthalenediimide dimer and evidence of intramolecular singlet exciton fission
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding

The synthesis of red-shifted azobenzenes functionalised with heavy chalcogen and halogen substituents is reported, enabling photo-switching with red and near IR light and ZE thermal isomerization rates spanning seven orders of magnitude.

Graphical abstract: Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Open-air green-light-driven ATRP enabled by dual photoredox/copper catalysis

Fully oxygen-tolerant photoinduced atom transfer radical polymerization (photo-ATRP) allowed the synthesis of well-defined polymers using a Cu catalyst and eosin Y at ppm levels in both aqueous and organic media.

Graphical abstract: Open-air green-light-driven ATRP enabled by dual photoredox/copper catalysis
Open Access Edge Article

An aqueous photo-controlled polymerization under NIR wavelengths: synthesis of polymeric nanoparticles through thick barriers

Taking advantage of high penetration and reduced light scattering of NIR wavelengths, we demonstrate the syntheses of polymeric nanoparticles with consistent morphologies through thick barriers.

Graphical abstract: An aqueous photo-controlled polymerization under NIR wavelengths: synthesis of polymeric nanoparticles through thick barriers
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Dynamic kinetic resolution of γ,γ-disubstituted indole 2-carboxaldehydes via NHC-Lewis acid cooperative catalysis for the synthesis of tetracyclic ε-lactones

NHC-Lewis acid cooperative catalyzed dynamic kinetic resolution (DKR) of transiently generated γ,γ-disubstituted indole 2-carboxaldehydes leading to the enantioselective synthesis of tetracyclic ε-lactones is reported.

Graphical abstract: Dynamic kinetic resolution of γ,γ-disubstituted indole 2-carboxaldehydes via NHC-Lewis acid cooperative catalysis for the synthesis of tetracyclic ε-lactones
From the themed collection: 2022 ChemSci Pick of the Week Collection
Open Access Edge Article

From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles

Rules for designing 4-helix bundles are defined, tested, and used to generate de novo peptide assemblies and a single-chain protein.

Graphical abstract: From peptides to proteins: coiled-coil tetramers to single-chain 4-helix bundles
Open Access Edge Article

Non-flammable, dilute, and hydrous organic electrolytes for reversible Zn batteries

A non-flammable, dilute, and hydrous organic electrolyte can homogenize Zn plating/stripping, suppress water decomposition, and form organic–inorganic hybrid interphase on Zn, thus contributing to highly reversible Zn metal batteries.

Graphical abstract: Non-flammable, dilute, and hydrous organic electrolytes for reversible Zn batteries
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Mechanoresponsive diselenide-crosslinked microgels with programmed ultrasound-triggered degradation and radical scavenging ability for protein protection

Mechanoresponsive diselenide-crosslinked microgels undergo controlled ultrasound-triggered degradation and can be used for protein delivery due to their dual protection properties acting as radical scavengers and conformation stabilizers.

Graphical abstract: Mechanoresponsive diselenide-crosslinked microgels with programmed ultrasound-triggered degradation and radical scavenging ability for protein protection
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Union carbide polymerization catalysts: from uncovering active site structures to designing molecularly-defined analogs

A combined SOMC and DFT studies on the Union Carbide catalyst enable to propose that Cr(III)-H, formed at high-loading, are active in ethylene polymerization. We therefore design a well-defined supported CpCr(III)-R ethylene polymerization catalyst.

Graphical abstract: Union carbide polymerization catalysts: from uncovering active site structures to designing molecularly-defined analogs
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Surface differences of oxide nanocrystals determined by geometry and exogenously coordinated water molecules

Both atomic geometry and the influence of surroundings (e.g., exogenously coordinated water) are key issues for determining the chemical environment of oxide surfaces, whereas the latter is usually ignored and should be considered in future studies.

Graphical abstract: Surface differences of oxide nanocrystals determined by geometry and exogenously coordinated water molecules
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle

A cyclization strategy of 2-nitroarylethanols under blue-light irradiation was developed, which is triggered by a photoexcited nitro-induced double hydrogen atom abstraction (d-HAA) process, delivering indoles, N–OH oxindoles and N–H oxindoles.

Graphical abstract: A switchable redox annulation of 2-nitroarylethanols affording N-heterocycles: photoexcited nitro as a multifunctional handle
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Interrogating the thionium hydrogen bond as a noncovalent stereocontrolling interaction in chiral phosphate catalysis

Transferable selectivity profiles allow data from intermolecular reactions using iminium substrates to be applied to predict intramolecular reactions involving thioniums.

Graphical abstract: Interrogating the thionium hydrogen bond as a noncovalent stereocontrolling interaction in chiral phosphate catalysis
From the themed collection: 2022 ChemSci Pick of the Week Collection
Open Access Edge Article

Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties

A new promising IR-NLO material SrCdSiS4 with a 2D layered structure has been designed via a dual-site isovalent substitution strategy. Remarkably, it is the first report on an alkaline-earth metal-based IR-NLO material that breaks through the wall of Eg > 3.5 eV and deff > 1 × AgGaS2.

Graphical abstract: Rational design via dual-site aliovalent substitution leads to an outstanding IR nonlinear optical material with well-balanced comprehensive properties
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Oxidatively induced reactivity in Rh(III)-catalyzed 7-azaindole synthesis: insights into the role of the silver additive

The Ag+ cations oxidize and promote the activity of Rh-intermediates in the coupling of 2-aminopyridine and alkyne to form 7-azaindole.

Graphical abstract: Oxidatively induced reactivity in Rh(iii)-catalyzed 7-azaindole synthesis: insights into the role of the silver additive
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Collective adaptability in a replication network of minimal nucleobase sequences

A replication network of minimal nucleobase sequences is built from simple biological components. The network shows collective adaptability to changes in the environment, while disulfide exchange wires different auto- and cross-catalytic pathways.

Graphical abstract: Collective adaptability in a replication network of minimal nucleobase sequences
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Discovery of novel drug-like antitubercular hits targeting the MEP pathway enzyme DXPS by strategic application of ligand-based virtual screening

We identified two drug-like antitubercular hits with submicromolar inhibition constants against the target 1-deoxy-D-xylulose-5-phosphate synthase (DXPS) with a new mode of action and promising activity against drug-resistant tuberculosis.

Graphical abstract: Discovery of novel drug-like antitubercular hits targeting the MEP pathway enzyme DXPS by strategic application of ligand-based virtual screening
From the themed collection: 2022 ChemSci Pick of the Week Collection
Open Access Edge Article

Accelerating the end-to-end production of cyclic phosphate monomers with modular flow chemistry

A semi-continuous flow platform allows the safer end-to-end production of cyclic phosphate monomers providing an easier access to polyphosphoesters and their applications.

Graphical abstract: Accelerating the end-to-end production of cyclic phosphate monomers with modular flow chemistry
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Combinatorial synthesis enables scalable designer detergents for membrane protein studies

Combinatorial detergent synthesis permits access to an unexplored part of the detergentome and provides new directions for the preparation of custom-made detergents for future applications.

Graphical abstract: Combinatorial synthesis enables scalable designer detergents for membrane protein studies
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Iron-catalysed alkene and heteroarene H/D exchange by reversible protonation of iron-hydride intermediates

The iron-catalysed C(sp2)–H bond H/D exchange reaction using CD3OD is reported for both heterocycles and alkenes. Characterisation of the key C–H metallation intermediates provided evidence for reversible protonation of the iron hydride catalyst.

Graphical abstract: Iron-catalysed alkene and heteroarene H/D exchange by reversible protonation of iron-hydride intermediates
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Peptide-directed synthesis of chiral nano-bipyramids for controllable antibacterial application

Chiral gold nano-bipyramids (GBPs) with sea cucumber-like morphology and an optical anisotropy factor of 0.102 at 573 nm are reported, and used in the fight against bacterial infection both in vitro and in vivo.

Graphical abstract: Peptide-directed synthesis of chiral nano-bipyramids for controllable antibacterial application
From the themed collection: 2022 Chemical Science HOT Article Collection
Open Access Edge Article

Highly contorted superhelicene hits near-infrared circularly polarized luminescence

This twisted superhelicene employed its twists and loops to shine chiral emission into the NIR region. The proof of its promising applicability in optoelectronic devices is the analogous chiroptical properties obtained in solution and thin films.

Graphical abstract: Highly contorted superhelicene hits near-infrared circularly polarized luminescence
From the themed collection: 2022 ChemSci Pick of the Week Collection
Open Access Edge Article

Flavanthrene derivatives as photostable and efficient singlet exciton fission materials

Flavanthrene derivatives can be designed into highly efficient and photostable singlet fission materials, owning to the N-doped two-dimensional angular fused acene framework, which is promising for photo energy conversion applications.

Graphical abstract: Flavanthrene derivatives as photostable and efficient singlet exciton fission materials
From the themed collection: 2022 Chemical Science HOT Article Collection
173 items - Showing page 1 of 3

About this collection

This on-going web collection showcases all of the HOT Chemical Science articles published in 2022, as recommended by referees. Congratulations to all of the authors whose articles are featured.

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