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Themed collection Celebrating 10 years of Chemical Science

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Open Access Editorial

Celebrating 10 years of Chemical Science

Welcome to the first of our special anniversary issues planned for this year, marking 10 years since Chemical Science published its first issue, back in July 2010.

Graphical abstract: Celebrating 10 years of Chemical Science
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Perspective

Confined space design by nanoparticle self-assembly

This perspective gives an outlook on the design of interparticle confined nanocavities in self-assembled NP systems and their functional relevance.

Graphical abstract: Confined space design by nanoparticle self-assembly
From the themed collection: Chemical Science Recent Perspective articles
Open Access Perspective

Defunctionalisation catalysed by boron Lewis acids

The combination of boron Lewis acid catalysts and hydride sources enables the cleavage of various carbon–heteroatom bonds.

Graphical abstract: Defunctionalisation catalysed by boron Lewis acids
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Perspective

From CO2 activation to catalytic reduction: a metal-free approach

This review article documents the key developments in the metal-free catalytic reduction of CO2 into various energy intensive chemicals and fuels, and reductive functionalization of CO2 for the formation of new C–N bonds.

Graphical abstract: From CO2 activation to catalytic reduction: a metal-free approach
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Perspective

Grafted semiconducting polymer amphiphiles for multimodal optical imaging and combination phototherapy

This review summarizes the applications of grafted semiconducting polymer amphiphiles (SPAs) as multimodal optical nanoagents for cancer imaging and combination phototherapy.

Graphical abstract: Grafted semiconducting polymer amphiphiles for multimodal optical imaging and combination phototherapy
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Perspective

The evolution of molecular machines through interfacial nanoarchitectonics: from toys to tools

Molecular machines can be made more useful with interfacial nanoarchitectonics.

Graphical abstract: The evolution of molecular machines through interfacial nanoarchitectonics: from toys to tools
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Perspective

The endeavor of vibration-induced emission (VIE) for dynamic emissions

The emission response for vibration-induced emission luminogens is highly sensitive to the encountered steric hindrance during the planarization process such that a tiny structural variation could induce an obvious change in fluorescence.

Graphical abstract: The endeavor of vibration-induced emission (VIE) for dynamic emissions
From the themed collection: Celebrating 10 years of Chemical Science
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 Minireview

Development and application of ubiquitin-based chemical probes

This article reviews the design, synthesis, and application of different classes of Ub-based chemical probes.

Graphical abstract: Development and application of ubiquitin-based chemical probes
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Minireview

Palladium-catalyzed direct asymmetric C–H bond functionalization enabled by the directing group strategy

This minireview introduces Pd-catalyzed direct asymmetric C–H functionalization reactions using a directing group strategy.

Graphical abstract: Palladium-catalyzed direct asymmetric C–H bond functionalization enabled by the directing group strategy
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Minireview

Light opens a new window for N-heterocyclic carbene catalysis

This minireview summarized the recent advances on the photoinduced, NHC-catalyzed organic reactions according to the function of visible light.

Graphical abstract: Light opens a new window for N-heterocyclic carbene catalysis
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Minireview

Electrodeposition of (hydro)oxides for an oxygen evolution electrode

This minireview looks at recent electrodeposition strategies for metal (hydro)oxide design and water oxidation applications, unveiling the unique properties and underlying principles of electrodeposited metal (hydro)oxides in the OER.

Graphical abstract: Electrodeposition of (hydro)oxides for an oxygen evolution electrode
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Minireview

Synthesis of azetidines by aza Paternò–Büchi reactions

This review discusses the current scope and limitations of the [2 + 2] photocycloaddition reaction between an imine and an alkene component, the aza Paternò–Büchi reaction, and highlights recent improvements within this area of research.

Graphical abstract: Synthesis of azetidines by aza Paternò–Büchi reactions
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Minireview

Retrosynthetic strategies and their impact on synthesis of arcutane natural products

Decisions, decisions, decisions: the interplay between different retrosynthetic strategies in the synthesis of the highly bridged, polycyclic arcutane natural products.

Graphical abstract: Retrosynthetic strategies and their impact on synthesis of arcutane natural products
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Minireview

Microfluidic systems for rapid antibiotic susceptibility tests (ASTs) at the single-cell level

Recent developments of microfluidics-based antibiotic susceptibility tests (ASTs) at the single-cell or single-molecule level are summarized for guiding antibiotic treatment.

Graphical abstract: Microfluidic systems for rapid antibiotic susceptibility tests (ASTs) at the single-cell level
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Minireview

From reactive carbenes to chiral polyether macrocycles in two steps – synthesis and applications made easy?

Chiral polyether macrocycles are versatile molecules.

Graphical abstract: From reactive carbenes to chiral polyether macrocycles in two steps – synthesis and applications made easy?
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Mechanochemical generation of acid-degradable poly(enol ether)s

A mechanically responsive polymer system that is hydrolytically stable without stress, but unmasks enol ether backbone linkages under force to allow facile hydrolytic degradation.

Graphical abstract: Mechanochemical generation of acid-degradable poly(enol ether)s
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Light-control of cap methylation and mRNA translation via genetic code expansion of Ecm1

A tyrosine in the active site of the 5′ cap methyltransferase Ecm1 was photocaged. Translation of mRNA could be triggered by light in eukaryotic cell lysate.

Graphical abstract: Light-control of cap methylation and mRNA translation via genetic code expansion of Ecm1
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Soluble, crystalline, and thermally stable alkali CO2 and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes

The direct chemical reduction of CAACCO2 adducts by alkali metals to yield multinuclear clusters is reported. The mono- and dianions of CO2 have been studied for decades and are fundamentally important oxycarbanions and critical species in CO2 fixation chemistry.

Graphical abstract: Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Shifting the scaling relations of single-atom catalysts for facile methane activation by tuning the coordination number

The scaling relationship of methane activation via a radical-like transition state shifts toward a more reactive region with decreasing coordination number of the active sites.

Graphical abstract: Shifting the scaling relations of single-atom catalysts for facile methane activation by tuning the coordination number
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Multicolor polymeric carbon dots: synthesis, separation and polyamide-supported molecular fluorescence

Understanding the origin and sensitivity of carbon dot emission will improve their utility in various applications.

Graphical abstract: Multicolor polymeric carbon dots: synthesis, separation and polyamide-supported molecular fluorescence
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Impact of sphingosine and acetylsphingosines on the aggregation and toxicity of metal-free and metal-treated amyloid-β

The reactivity of sphingosine and acetylsphingosines towards both metal-free and metal-treated amyloid-β is demonstrated showing a correlation of their micellization properties.

Graphical abstract: Impact of sphingosine and acetylsphingosines on the aggregation and toxicity of metal-free and metal-treated amyloid-β
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

A dual-fluorophore sensor approach for ratiometric fluorescence imaging of potassium in living cells

We report a dual-fluorophore approach for ratiometric fluorescent imaging of K+ levels in live cells. Intracellular esterases cleave RPS-1 to detach the K+-responsive fluorophore (PS525) from its internal standard (Coumarin 343).

Graphical abstract: A dual-fluorophore sensor approach for ratiometric fluorescence imaging of potassium in living cells
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Dynamic spatial and structural organization in artificial cells regulates signal processing by protein scaffolding

Engineered artificial cells respond to environmental cues through a pre-programmed enzymatic machinery that induces spatio-structural organization and activation of effector proteins at the lipid membrane.

Graphical abstract: Dynamic spatial and structural organization in artificial cells regulates signal processing by protein scaffolding
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Sustainable and rapid preparation of nanosized Fe/Ni-pentlandite particles by mechanochemistry

A sustainable and rapid mechanochemical method for the preparation of bimetallic nanosized pentlandite particles as cathode material is developed and tested within zero-gap PEM cells.

Graphical abstract: Sustainable and rapid preparation of nanosized Fe/Ni-pentlandite particles by mechanochemistry
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Highly conducting Wurster-type twisted covalent organic frameworks

Covalent organic frameworks define a versatile structural paradigm combining various attractive properties. The impact of different dopants on the conductivity of imine-linked 2D COFs featuring a redox-active Wurster-type motif was studied.

Graphical abstract: Highly conducting Wurster-type twisted covalent organic frameworks
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

A click-flipped enzyme substrate boosts the performance of the diagnostic screening for Hunter syndrome

Click-triggered flip of the conformation of a sulfated iduronyl azide afforded a superior enzyme substrate to screen for Hunter syndrome.

Graphical abstract: A click-flipped enzyme substrate boosts the performance of the diagnostic screening for Hunter syndrome
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Hexa-peri-benzocoronene with two extra K-regions in an ortho-configuration

We reported the synthesis of hexa-peri-benzocoronene (HBC) with two extra K-regions adopting an ortho-configuration. The systematical study provides deep insights about the effect of zigzag edge on the π-conjugated pathway and molecular design.

Graphical abstract: Hexa-peri-benzocoronene with two extra K-regions in an ortho-configuration
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Fucosylated ubiquitin and orthogonally glycosylated mutant A28C: conceptually new ligands for Burkholderia ambifaria lectin (BambL)

Metal free click reactions used to glycosylate ubiquitin and its mutant A28C afforded two protein scaffolds with high affinity for Burkholderia ambifaria lectin (BambL).

Graphical abstract: Fucosylated ubiquitin and orthogonally glycosylated mutant A28C: conceptually new ligands for Burkholderia ambifaria lectin (BambL)
From the themed collection: 2020 Chemical Science HOT Article Collection
Open Access Edge Article

A case of chain propagation: α-aminoalkyl radicals as initiators for aryl radical chemistry

Aminoalkyl radicals can be used as both initiators and chain-carriers for the conversion of aryl halides into the corresponding radicals. This approach by-passes the requirement for strongly reducing photocatalysts.

Graphical abstract: A case of chain propagation: α-aminoalkyl radicals as initiators for aryl radical chemistry
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

H2/CO2 separations in multicomponent metal-adeninate MOFs with multiple chemically distinct pore environments

Tailorable multicomponent MOFs and MOF membranes for efficient H2/CO2 separation.

Graphical abstract: H2/CO2 separations in multicomponent metal-adeninate MOFs with multiple chemically distinct pore environments
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

A near-infrared fluorescence probe for imaging of pantetheinase in cells and mice in vivo

A near-infrared fluorescence probe for detecting pantetheinase activity has been used for imaging pantetheinase in mice with inflammatory bowel disease.

Graphical abstract: A near-infrared fluorescence probe for imaging of pantetheinase in cells and mice in vivo
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

A diketopyrrolopyrrole dye-based dyad on a porous TiO2 photoanode for solar-driven water oxidation

Construction of a water oxidising photoanode with an organic chromophore-catalyst dyad.

Graphical abstract: A diketopyrrolopyrrole dye-based dyad on a porous TiO2 photoanode for solar-driven water oxidation
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Prediction of drug metabolites using neural machine translation

The structure of the drug, represented with a SMILES sequence, is being translated into the structures of possible metabolites that can be formed in the human body.

Graphical abstract: Prediction of drug metabolites using neural machine translation
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Characterization of a putative sensory [FeFe]-hydrogenase provides new insight into the role of the active site architecture

Characterization of a group D putative sensory [FeFe]-hydrogenase reveals how the active site can be tuned to decrease CO inhibition and increase stability of a reduced H-cluster while retaining the ability to catalyze H+/H2 interconversion.

Graphical abstract: Characterization of a putative sensory [FeFe]-hydrogenase provides new insight into the role of the active site architecture
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

trans-Hydroboration–oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism

A trans-product is isolated and characterized under traditional hydroboration–oxidation conditions using Δ5-steroids as substrates. Experimental and theoretical studies indicate that the trans-species occurs via a retro-hydroboration mechanism.

Graphical abstract: trans-Hydroboration–oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism
From the themed collection: Celebrating Chemical Science in Latin America
Open Access Edge Article

Identification of a nanomolar affinity α-synuclein fibril imaging probe by ultra-high throughput in silico screening

Ultra-high throughput in silico screening identified molecules that bind to α-synuclein fibrils, which were analyzed by photo-crosslinking, structure-activity studies, and radioligand binding to validate this approach for finding imaging probes.

Graphical abstract: Identification of a nanomolar affinity α-synuclein fibril imaging probe by ultra-high throughput in silico screening
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Combining free energy calculations with tailored enzyme activity assays to elucidate substrate binding of a phospho-lysine phosphatase

Combining phosphatase activity assays with molecular docking and free energy calculations reveals low promiscuity and substrate binding of intrinsically labile phospho-lysine peptides to the enzyme LHPP.

Graphical abstract: Combining free energy calculations with tailored enzyme activity assays to elucidate substrate binding of a phospho-lysine phosphatase
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

AIE-based nanoaggregate tracker: high-fidelity visualization of lysosomal movement and drug-escaping processes

Well-formed AIE nanoaggregates with good stability can achieve high-fidelity visualization of lysosomal movement and drug-escaping processes.

Graphical abstract: AIE-based nanoaggregate tracker: high-fidelity visualization of lysosomal movement and drug-escaping processes
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter

A new mitochondrial uncoupler that forms membrane permeable dimers through interactions of remote acidic and anion receptor groups.

Graphical abstract: Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter
From the themed collection: 2020 Chemical Science HOT Article Collection
Open Access Edge Article

On the electronic structure and hydrogen evolution reaction activity of platinum group metal-based high-entropy-alloy nanoparticles

RuRhPdIrPt high-entropy-alloy nanoparticles with a broad and featureless valence band spectrum show high hydrogen evolution reaction activity.

Graphical abstract: On the electronic structure and hydrogen evolution reaction activity of platinum group metal-based high-entropy-alloy nanoparticles
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Extraordinary electrochemical stability and extended polaron delocalization of ladder-type polyaniline-analogous polymers

Electrochemical stability and state delocalization critically impact the functions and practical applications of electronically active polymers.

Graphical abstract: Extraordinary electrochemical stability and extended polaron delocalization of ladder-type polyaniline-analogous polymers
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

The influences of carbon donor ligands on biomimetic multi-iron complexes for N2 reduction

High-spin diiron alkylidenes give insight into the electronic structure and functional relevance of carbon in the FeMoco active site of nitrogenase.

Graphical abstract: The influences of carbon donor ligands on biomimetic multi-iron complexes for N2 reduction
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Phenol-like group functionalized graphene quantum dots structurally mimicking natural antioxidants for highly efficient acute kidney injury treatment

Phenol-like group functionalized graphene quantum dots that structurally mimic natural antioxidants are constructed as high-efficacy reactive oxygen species scavengers for acute kidney injury antioxidative therapy.

Graphical abstract: Phenol-like group functionalized graphene quantum dots structurally mimicking natural antioxidants for highly efficient acute kidney injury treatment
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Controlled synthesis of organic two-dimensional nanostructures via reaction-driven, cooperative supramolecular polymerization

We report the kinetically controlled supramolecular polymerization of organic two-dimensional charge-transfer nanostructures via a chemical reaction (imine)-driven approach.

Graphical abstract: Controlled synthesis of organic two-dimensional nanostructures via reaction-driven, cooperative supramolecular polymerization
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

A new pentacyclic pyrylium fluorescent probe that responds to pH imbalance during apoptosis

A modified Vilsmeier–Haack reaction resulted in the synthesis of a pyrylium based turn-on fluorescent pH probe. The probe can monitor minute acidification and dynamic pH variation in cells during apoptosis with therapeutic chemo drugs.

Graphical abstract: A new pentacyclic pyrylium fluorescent probe that responds to pH imbalance during apoptosis
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Accelerated microdroplet synthesis of benzimidazoles by nucleophilic addition to protonated carboxylic acids

We report a metal-free novel route for the accelerated synthesis of benzimidazole and its derivatives in the ambient atmosphere.

Graphical abstract: Accelerated microdroplet synthesis of benzimidazoles by nucleophilic addition to protonated carboxylic acids
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Total scattering reveals the hidden stacking disorder in a 2D covalent organic framework

With total scattering methods and stacking fault simulations, we observe previously predicted random local layer offsets in a COF, which are typically disguised by the apparent crystallographic symmetry but strongly influence properties.

Graphical abstract: Total scattering reveals the hidden stacking disorder in a 2D covalent organic framework
From the themed collection: 2020 Chemical Science HOT Article Collection
Open Access Edge Article

Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways

To understand factors that determine ring pattern and stereochemistry of thioether cyclization of lanthipeptide natural products, the structures of five prochlorosins (blue) and two enterococcal cytolysins (red) were determined by NMR spectroscopy.

Graphical abstract: Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Activation chemistry drives the emergence of functionalised protocells

The complexity of the simplest conceivable cell suggests that the chemistry of prebiotic mixtures needs to be explored to understand the intricate network of prebiotic reactions that led to the emergence of life.

Graphical abstract: Activation chemistry drives the emergence of functionalised protocells
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Triboluminescence of a new family of CuI–NHC complexes in crystalline solid and in amorphous polymer films

Triboluminescent compounds that generate emission of light in response to mechanical stimulus are promising targets in the development of “smart materials” and damage sensors.

Graphical abstract: Triboluminescence of a new family of CuI–NHC complexes in crystalline solid and in amorphous polymer films
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center

Bimetallic cooperativity is demonstrated with a Co/Zr complex featuring both nucleophilic Zr(IV) oxo and redox active Co sites.

Graphical abstract: Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(iv) oxo compound mediated by an appended cobalt(i) center
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Triple the fun: tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis

Trinuclear gold(I) complexes of C3-symmetric tris(ferrocenyl)arene-based tris-phosphanes with four accessible oxidation states catalyse the ring-closing isomerisation of N-(2-propyn-1-yl)benzamide with different rates depending on their redox state.

Graphical abstract: Triple the fun: tris(ferrocenyl)arene-based gold(i) complexes for redox-switchable catalysis
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Hierarchical nanosheets built from superatomic clusters: properties, exfoliation and single-crystal-to-single-crystal intercalation

Designer inorganic nanoblocks encrypt 2D superatomic crystals with in-plane anisotropy, quasi-chiral domains and rich physicochemical properties.

Graphical abstract: Hierarchical nanosheets built from superatomic clusters: properties, exfoliation and single-crystal-to-single-crystal intercalation
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Total synthesis of biseokeaniamides A–C and late-stage electrochemically-enabled peptide analogue synthesis

A late-stage electrochemical decarboxylation enables rapid access to structural analogues of biseokeaniamides A–C, cytotoxic lipopeptide natural products.

Graphical abstract: Total synthesis of biseokeaniamides A–C and late-stage electrochemically-enabled peptide analogue synthesis
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Rules for the design of aza-glycine stabilized triple-helical collagen peptides

Guidelines for incorporating aza-glycine residues in collagen peptides are presented, detailing their effects on triple-helical thermal stability.

Graphical abstract: Rules for the design of aza-glycine stabilized triple-helical collagen peptides
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Modulation of metal-azolate frameworks for the tunable release of encapsulated glycosaminoglycans

Clinical and pre-clinical GAG-based biotherapeutics were encapsulated within three metal-azolate frameworks (ZIF-8, ZIF-90, and MAF-7). The resulting MOF biocomposites show different loading capacity, biopreservation properties and release profiles.

Graphical abstract: Modulation of metal-azolate frameworks for the tunable release of encapsulated glycosaminoglycans
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Enthalpic incompatibility between two steric stabilizer blocks provides control over the vesicle size distribution during polymerization-induced self-assembly in aqueous media

SAXS studies confirm that a judicious binary mixture of enthalpically incompatible steric stabilizer blocks enables the synthesis of relatively small, well-defined vesicles via polymerization-induced self-assembly in aqueous media.

Graphical abstract: Enthalpic incompatibility between two steric stabilizer blocks provides control over the vesicle size distribution during polymerization-induced self-assembly in aqueous media
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Revealing the molecular mechanisms of proteolysis of SARS-CoV-2 Mpro by QM/MM computational methods

The molecular mechanism of the proteolysis reaction catalyzed by SARS-CoV-2 Mpro, one of the enzymes essential for the replication process of the virus responsible for the COVID-19 pandemic, is described using computational QM/MM methods.

Graphical abstract: Revealing the molecular mechanisms of proteolysis of SARS-CoV-2 Mpro by QM/MM computational methods
Open Access Edge Article

Nanostructured liquid-crystalline Li-ion conductors with high oxidation resistance: molecular design strategy towards safe and high-voltage-operation Li-ion batteries

Ion-conductive liquid-crystalline molecules with high-oxidation resistance, which were designed with density functional theory calculation, improved charge–discharge reactions in Li-ion batteries.

Graphical abstract: Nanostructured liquid-crystalline Li-ion conductors with high oxidation resistance: molecular design strategy towards safe and high-voltage-operation Li-ion batteries
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Deciphering the origin of million-fold reactivity observed for the open core diiron [HO–FeIII–O–FeIV[double bond, length as m-dash]O]2+ species towards C–H bond activation: role of spin-states, spin-coupling, and spin-cooperation

Our results unequivocally reveal the importance of spin states, spin coupling and spin cooperation in controlling the reactivity in dinuclear Fe-oxo species.

Graphical abstract: Deciphering the origin of million-fold reactivity observed for the open core diiron [HO–FeIII–O–FeIV [[double bond, length as m-dash]] O]2+ species towards C–H bond activation: role of spin-states, spin-coupling, and spin-cooperation
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

H/D exchange under mild conditions in arenes and unactivated alkanes with C6D6 and D2O using rigid, electron-rich iridium PCP pincer complexes

The synthesis and characterization of an iridium polyhydride complex (Ir-H4) supported by an electron-rich PCP framework and capable of mild hydrogen/deuterium exchange catalysis is described.

Graphical abstract: H/D exchange under mild conditions in arenes and unactivated alkanes with C6D6 and D2O using rigid, electron-rich iridium PCP pincer complexes
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Insights into the behavior of nonanoic acid and its conjugate base at the air/water interface through a combined experimental and theoretical approach

The surface partitioning of a medium chain fatty acid and its conjugate base has been investigated through a combined experimental and theoretical approach of the multi-equilibria involved in the bulk phase and at the air/water interface.

Graphical abstract: Insights into the behavior of nonanoic acid and its conjugate base at the air/water interface through a combined experimental and theoretical approach
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Annulative π-extension of BODIPYs made easy via gold(I)-catalyzed cycloisomerization

Here we report gold(I)-catalyzed cycloisomerization as a new powerful synthetic tool for the preparation of π-extended BODIPY derivatives.

Graphical abstract: Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Carbonization of single polyacrylonitrile chains in coordination nanospaces

Accommodation of polyacrylonitrile in MOFs facilitated and regulated the transformation to ladder polymer in the carbonization process.

Graphical abstract: Carbonization of single polyacrylonitrile chains in coordination nanospaces
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Amination of the Gd@C82 endohedral fullerene: tunable substitution effect on quantum coherence behaviors

Amination of the endohedral fullerene Gd@C82 exhibits enhanced quantum phase memory time and tunable substitution effect for quantum information processing.

Graphical abstract: Amination of the Gd@C82 endohedral fullerene: tunable substitution effect on quantum coherence behaviors
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Double annulation of ortho- and peri-C–H bonds of fused (hetero)arenes to unusual oxepino-pyridines

Direct difunctionalization of chemically distinct ortho- and peri-C–H bonds of fused hetero(arenes) is illustrated through an unusual one-pot domino {[4 + 2] & [5 + 2]} double annulation with alkynes for the first time.

Graphical abstract: Double annulation of ortho- and peri-C–H bonds of fused (hetero)arenes to unusual oxepino-pyridines
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

Exploiting clock transitions for the chemical design of resilient molecular spin qubits

We employ a python computational tool to compare 3 relevant case studies with increasingly complex ground states: vanadyl complexes, Ho(III) square antiprisms and Ho(III) cubic structures.

Graphical abstract: Exploiting clock transitions for the chemical design of resilient molecular spin qubits
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

A reconstructed porous copper surface promotes selectivity and efficiency toward C2 products by electrocatalytic CO2 reduction

The Cu electrode surface is reconstructed by a halide anion assisted method for promoting CO2 reduction.

Graphical abstract: A reconstructed porous copper surface promotes selectivity and efficiency toward C2 products by electrocatalytic CO2 reduction
From the themed collection: Celebrating 10 years of Chemical Science
Open Access Edge Article

How to polarise an interface with ions: the discrete Helmholtz model

The discrete nature of the charge carriers at polarised soft interfaces yields sharp potential profiles as well as concentration and potential independent capacitances.

Graphical abstract: How to polarise an interface with ions: the discrete Helmholtz model
From the themed collection: Celebrating 10 years of Chemical Science
123 items - Showing page 1 of 2

About this collection

2020 marks the 10th anniversary of Chemical Science and to celebrate we are publishing a number of special birthday issues, to recognise and thank members of our community who have been supporting the journal and publishing in Chemical Science since we launched ten years ago. Many of these individuals feature as authors in this collection and, looking to the future, we have combined this with inviting a selection of researchers who are closer to the beginning of their careers, and who are new to publishing in Chemical Science. We hope that you enjoy reading this selection of articles, and that we can continue to provide an open and inclusive venue for both groups of researchers for many years to come.

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