Chemical Science

Article	Citations
Back cover	201
Beyond diffusion: ion and electron migration contribute to charge transport in redox-conducting metal–organic frameworks	201
Front cover	196
Contents list	165
Accelerating the end-to-end production of cyclic phosphate monomers with modular flow chemistry	162
De novogeneration of a bright blue fluorophore from 2-oxoglutarate in biological samples	161
With or without a co-solvent? highly efficient ultrafast phenanthrenequinone-electron rich alkene (PQ-ERA) photoclick reactions	144
Chiral cobalt(ii) complex-promoted asymmetric para-Claisen rearrangement of allyl α-naphthol ethers	140
Photochemical H2 activation by an Zn–Fe heterometallic: a mechanistic investigation	136
Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media	136
Syntheses, homeomorphic and configurational isomerizations, and structures of macrocyclic aliphatic dibridgehead diphosphines; molecules that turn themselves inside out	135
Defect-engineered surfaces to investigate the formation of self-assembled molecular networks	134
Enantioselective nickel-catalyzed Mizoroki–Heck cyclizations of amide electrophiles	133
Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series	132
DNP NMR spectroscopy enabled direct characterization of polystyrene-supported catalyst species for synthesis of glycidyl esters by transesterification	131
Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene	131
Structure–function relationships in pure archaeal bipolar tetraether lipids	129
Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion	124
Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets	124
RAFT step-growth polymerization via the Z-group approach and deconstruction by RAFT interchange	117
Curved graphene nanoribbons derived from tetrahydropyrene-based polyphenylenesviaone-pot K-region oxidation and Scholl cyclization	116
Correction: Structural tuning of organoruthenium compounds allows oxidative switch to control ER stress pathways and bypass multidrug resistance	114
Correction: Multi-stimuli programmable FRET based RGB absorbing antennae towards ratiometric temperature, pH and multiple metal ion sensing	113
Correction: When SF5 outplays CF3: effects of pentafluorosulfanyl decorated scorpionates on copper	112
Correction: Magnetic coupling between Fe(NO) spin probe ligands through diamagnetic NiII, PdII and PtII tetrathiolate bridges	111

Metalation-induced denitrogenative reductive coupling of isocyanides on a silylene-bridged nickel cluster	105
Intramolecular-locking modification enables efficient asymmetric donor–acceptor–donor′ type ultraviolet emitters for high-performance OLEDs with reduced efficiency roll-off and high color purity	104
Understanding nascent plasmons and metallic bonding in atomically precise gold nanoclusters	103
Probing the water adsorption and stability under steam flow of Zr-based metal–organic frameworks using 91Zr solid-state NMR spectroscopy	103
Mechanism of action and evaluation of ratiometric probes for uric acid using lanthanide complexes with tetraazatriphenylene sensitisers	103
The supersaturation perspective on the amyloid hypothesis	102
Proton transfer induced excited-state aromaticity gain for chromophores with maximal Stokes shifts	100
Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects	98
Revisiting the reaction pathways for phospholipid hydrolysis catalyzed by phospholipase A2 with QM/MM methods	97
A free boratriptycene-type Lewis superacid	96
18F-Labeled brain-penetrant EGFR tyrosine kinase inhibitors for PET imaging of glioblastoma	93
Characterization of a LanC-free pathway for the formation of an ll-MeLan residue and an alloAviMeCys residue in the newly identified class V lanthipeptide triantimycins	93
Time-resolved circular dichroism of excitonic systems: theory and experiment on an exemplary squaraine polymer	92
Deconvoluting binding sites in amyloid nanofibrils using time-resolved spectroscopy	92
Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction	89
Multifaceted nucleic acid probing with a rationally upgraded molecular rotor	87
Competing dynamics of intramolecular deactivation and bimolecular charge transfer processes in luminescent Fe(iii) N-heterocyclic carbene complexes	85
Drop-cast gold nanoparticles are not always electrocatalytically active for the borohydride oxidation reaction	85
Gaining control on optical force by the stimulated-emission resonance effect	85
Deciphering the chemical bonding of the trivalent oxygen atom in oxygen doped graphene	85
Excitation generated preferential binding sites for ethane on porous carbon–copper porphyrin sorbents: ethane/ethylene adsorptive separation improved by light	84
Probing substrate binding inside a paramagnetic cavity: a NMR spectroscopy toolbox for combined experimental and theoretical investigation	84
First synthesis of RuSn solid-solution alloy nanoparticles and their enhanced hydrogen evolution reaction activity	82
Mori generalized master equations offer an efficient route to predict and interpret polaron transport	81
Beyond chemical structures: lessons and guiding principles for the next generation of molecular databases	80
Three-dimensional structural alignment based discovery and molecular basis of AtoB, catalyzing linear tetracyclic formation	80
Ultra-long cycle sodium ion batteries enabled by the glutaric anhydride additive	80
Correction: FragGen: towards 3D geometry reliable fragment-based molecular generation	79
Engineering mechanisms of proton-coupled electron transfer to a titanium-substituted polyoxovanadate–alkoxide	79
Transcriptome-wide identification of single-stranded RNA binding proteins	79
Back cover	79
Visible light-driven dearomative ring expansion of (aza)arenes to access dihydrofuran-based polycyclic compounds	77
Self-sensitized Cu(ii)-complex catalyzed solar driven CO2 reduction	77
More π, please: What drives the formation of unsaturated molecules in the interstellar medium?	77
Front cover	77
(3+2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light	76
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Contents list	76
Dynamic handedness inversion of self-organized helical superstructures enabled by novel thermally stable light-driven chiral hydrazone switches	75
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Arresting dissolution of two-dimensional metal–organic frameworks enables long life in electrochemical devices	74
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Identification of metal-centered excited states in Cr(iii) complexes with time-resolved L-edge X-ray spectroscopy	70
A reversible plasmonic nanoprobe for dynamic imaging of intracellular pH during endocytosis	70
Inside front cover	70
In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations	69
Deciphering the mechanism of hydrogen peroxide formation in ultrasound-mediated water-in-oil microdroplets	69
Easy access to amphiphilic nitrogenous block copolymers via switchable catalysis	68
Controlled, one-pot synthesis of recyclable poly(1,3-diene)-polyester block copolymers, catalyzed by yttrium β-diketiminate complexes	67
Mechanisms of controlled stabilizer-free synthesis of gold nanoparticles in liquid aerosol containing plasma	67
Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt	67
Catalysis of a LiF-rich SEI by aromatic structure modified porous polyamine for stable all-solid-state lithium metal batteries	66
Spectroscopic application of few-femtosecond deep-ultraviolet laser pulses from resonant dispersive wave emission in a hollow capillary fibre	66
How do donor and acceptor substituents change the photophysical and photochemical behavior of dithienylethenes? The search for a water-soluble visible-light photoswitch	65
Inside front cover	65
Formal synthesis of kibdelomycin and derivatisation of amycolose glycosides	65
Origin of low melting point of ionic liquids: dominant role of entropy	65
Reducing the internal reorganization energy via symmetry controlled π-electron delocalization	65
Ambipolar conjugated ladder polymers by room-temperature Knoevenagel polymerization	64
“Mn-locking” effect by anionic coordination manipulation stabilizing Mn-rich phosphate cathodes	64
Mechanism and dynamics of photoswitchable flavoprotein charge-transfer complexes	64
Reactivity of 1,3-enyne MIDA boronates: exploration of novel 1,2-alkyne shift via gem-difluorination	64
Polymerization-induced self-assembly enables access to diverse highly ordered structures through kinetic and thermodynamic pathways	63
Catalytic asymmetric hydrometallation of cyclobutenes with salicylaldehydes	63
Direct detection of spin polarization in photoinduced charge transfer through a chiral bridge	63
Mechanochemically-induced glass formation from two-dimensional hybrid organic–inorganic perovskites	63
Sequence-dependent conformational transitions of disordered proteins during condensation	62
A method to identify small molecule/protein pairs susceptible to protein ubiquitination by the CRBN E3 ligase	62
Acridine photocatalysis enables tricomponent direct decarboxylative amine construction	62
Biosynthesis of pleuromutilin congeners using an Aspergillus oryzae expression platform	62
Affinity-based protein profiling of MDM2 inhibitor Navtemadlin	61
Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones	61
Leveraging heterocycle-fused 1,4-benzoquinone to design chemical modulators for both metal-free and metal-bound amyloid-β	59
Molecular engineering of 1D conjugated copper anilate coordination polymers for boosting electrocatalytic nitrate reduction to ammonia	59
Guiding catalytic CO2 reduction to ethanol with copper grain boundaries	58
Molecular brush-based ultrathin polymer electrolytes with stable interfaces for high-voltage large-areal-capacity lithium metal batteries	58
Effect of cyclic topology versus linear terpolymers on antibacterial activity and biocompatibility: antimicrobial peptide avatars	58
A biocompatible hydrogel as a template for oxidative decomposition reactions: a chemodosimetric analysis and in vitro imaging of hypochlorite	57
pH jump kinetics in colliding microdroplets: accelerated synthesis of azamonardine from dopamine and resorcinol	57
Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation	57
Development of 8–17 XNAzymes that are functional in cells	57
A photoinduced transient activating strategy for late-stage chemoselective C(sp3)–H trifluoromethylation of azines	56
Spin polarized electron dynamics enhance water splitting efficiency by yttrium iron garnet photoanodes: a new platform for spin selective photocatalysis	56
Modulatory spin-flip of triplet excitons via diversiform electron-donating units for MR-TADF emitters towards solution-processed narrowband OLEDs	56
Light-controlled enzymatic synthesis of γ-CD using a recyclable azobenzene template	56
Augmenting genetic algorithms with machine learning for inverse molecular design	55
A general strategy to the intracellular sensing of glycosidases using AIE-based glycoclusters	55
Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides	55
Bucking the trend: understanding lipopolysaccharide structure and outer membrane dynamics in cold-adapted Pseudomonas isolated from Enigma Lake, Antarctica	55
MR-TADF liquid crystals: towards self assembling host–guest mixtures showing narrowband emission from the mesophase	55
Isoacridone dyes with parallel reactivity from both singlet and triplet excited states for biphotonic catalysis and upconversion	55
Non-covalent reconfigurable microgel colloidosomes with a well-defined bilayer shell	55
MnO2 nanosheets as a carrier and accelerator for improved live-cell biosensing application of CRISPR/Cas12a	54
Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol	54
Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes	54
Bromine radical release from a nickel-complex facilitates the activation of alkyl boronic acids: a boron selective Suzuki–Miyaura cross coupling	54
Retaining the structural integrity of disulfide bonds in diphtheria toxoid carrier protein is crucial for the effectiveness of glycoconjugate vaccine candidates	54
Chemiluminescent duplex analysis using phenoxy-1,2-dioxetane luminophores with color modulation	54
RGB tri-luminescence in organic–inorganic zirconium halide perovskites	54
Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the α/β-hydrolase fold	54
Efficient helical columnar emitters of chiral homoleptic Pt(ii) metallomesogens for circularly polarized electroluminescence	54
Biocatalytic reductive amination as a route to isotopically labelled amino acids suitable for analysis of large proteins by NMR	53
Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns	53
Facile preparation of sulfonium peptide and protein probes for selective crosslinking of methyllysine readers	53
In situ modification of the d-band in the core–shell structure for efficient hydrogen storage via electrocatalytic N2 fixation	53
Double coordination shell modulation of nitrogen-free atomic manganese sites for enhancing oxygen reduction performance	53
Tuning through-space interactions via the secondary coordination sphere of an artificial metalloenzyme leads to enhanced Rh(iii)-catalysis	53
Hydroalkylation of styrenes enabled by boryl radical mediated halogen atom transfer	53
Cold-catalytic antitumor immunity with pyroelectric black phosphorus nanosheets	52
Molecularly engineered AIEgens with enhanced quantum and singlet-oxygen yield for mitochondria-targeted imaging and photodynamic therapy	52
LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry	51
A J-aggregated nanoporphyrin overcoming phototoxic side effects in superior phototherapy with two-pronged effects	51
109Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials	51
De novo synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular SNAr reaction	51
Electrochemical hydrogenative coupling of nitrobenzene into azobenzene over a mesoporous palladium–sulfur cathode	51
Engineering the solid electrolyte interphase for enhancing high-rate cycling and temperature adaptability of lithium-ion batteries	51
Planar pentacoordinate s-block metals	51
A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage	51
Strategic design of Fe and N co-doped hierarchically porous carbon as superior ORR catalyst: from the perspective of nanoarchitectonics	50
Visible-light-induced organocatalytic enantioselective N–H insertion of α-diazoesters enabled by indirect free carbene capture	50
Highly efficient organic long persistent luminescence based on host–guest doping systems	50
High order assembly of multiple protein cages with homogeneous sizes and shapes via limited cage surface engineering	50

Influence of the Pt/ionomer/water interface on the oxygen reduction reaction: insights into the micro-three-phase interface	50
Negative cooperativity in the formation of H-bond networks involving primary anilines	49
Redox-neutral manganese-catalyzed synthesis of 1-pyrrolines	49
[2 + 2] cycloaddition and its photomechanical effects on 1D coordination polymers with reversible amide bonds and coordination site regulation	49
Orbital electron delocalization of axial-coordinated modified FeN4 and structurally ordered PtFe intermetallic synergistically for efficient oxygen reduction reaction catalysis	49
Ultrafast and selective labeling of endogenous proteins using affinity-based benzotriazole chemistry	49
Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties	49
A constitutional isomer selective chemical proteomic strategy for system-wide profiling of protein lysine 5-hydroxylation	49
Intramolecular photochemical [2 + 1]-cycloadditions of nucleophilic siloxy carbenes	49
Identification of allosteric sites and ligand-induced modulation in the dopamine receptor through large-scale alchemical mutation scan	49
Applications of metal–organic framework-based bioelectrodes	49
Unified ionic and radical C-4 alkylation and arylation of pyridines	48
A silylboronate-mediated strategy for cross-coupling of alkyl fluorides with aryl alkanes: mechanistic insights and scope expansion	48
Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates	48
An AND-gate bioluminescent probe for precise tumor imaging	48
Simultaneously enhancing the planarity and electron-donating capability of donors for through-space charge transfer TADF towards deep-red emission	48
Therapeutic efficacy of 211At-radiolabeled 2,6-diisopropylphenyl azide in mouse models of human lung cancer	48
Ni-catalyzed asymmetric hydrophosphinylation of conjugated enynes and mechanistic studies	47
Site-specific doping of silver atoms into a Au25 nanocluster as directed by ligand binding preferences	47
On the use of real-world datasets for reaction yield prediction	47
Luminescent carbene–copper(i)–amide polymers for efficient host-free solution-processed OLEDs	47
Contents list	47
Revealing the nature of covalently tethered distonic radical anions in the generation of heteroatom-centered radicals: evidence for the polarity-matching PCET pathway	47
Strain-enabled radical spirocyclization cascades: rapid access to spirocyclobutyl lactones and – lactams	47
Front cover	47
State-of-the-art accounts of hyperpolarized 15N-labeled molecular imaging probes for magnetic resonance spectroscopy and imaging	47
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Catalytic enantioselective synthesis of α-C chiral sulfones enabled by merging photoactive electron donor–acceptor complexes with nickel catalysis	46
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Correction: Ion pair extractant selective for LiCl and LiBr	46
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Pathway-dependent supramolecular polymerization by planarity breaking	44
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Versatile post-functionalisation strategy for the formation of modular organic–inorganic polyoxometalate hybrids	44
Fast, solvent-free synthesis of ferrocene-containing organic cages via dynamic covalent chemistry in the solid state	44
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Dual ligand approach increases functional group tolerance in the Pd-catalysed C–H arylation of N-heterocyclic pharmaceuticals	44
Novel supramolecular artificial light-harvesting systems based on AIE-active macrocycles for efficient white-light photocatalysis in water	44
Fabrication of azido-PEG-NHC stabilized gold nanoparticles as a functionalizable platform	43
Hydrogen atom abstraction as a synthetic route to a square planar CoII complex with a redox-active tetradentate PNNP ligand	43
A metal-free strategy to construct fluoroalkyl–olefin linkages using fluoroalkanes	43
PB and AsB triple bonds in the linear PB2O− and AsB2O− species	43
Single-molecule-level detection of interfacial molecular structures and ultrafast dynamics	43
Mechanical interlocking of SWNTs with N-rich macrocycles for efficient ORR electrocatalysis	43
Into the dynamics of rotaxanes at atomistic resolution	43
Shallow and deep trap states of solvated electrons in methanol and their formation, electronic excitation, and relaxation dynamics	43
Metal-free platforms for molecular thin films as high-performance supercapacitors	43
Self-assembled PROTACs enable glycoproteins degradation in the living cells	43
Enantiomeric β-sheet peptides from Aβ form homochiral pleated β-sheets rather than heterochiral rippled β-sheets	43
Visualizing the mode of action and supramolecular assembly of teixobactin analogues in Bacillus subtilis	43
pH-Dependent transport of amino acids across lipid bilayers by simple monotopic anion carriers	42
The merger of electro-reduction and hydrogen bonding activation for a radical Smiles rearrangement	42
Supramolecular multivalency effects enhance imine formation in aqueous medium allowing for dynamic modification of enzymatic activity	42
In situ lattice tuning of quasi-single-crystal surfaces for continuous electrochemical modulation	42
Exploring a solid-state nanopore approach for single-molecule protein detection from single cells	42
Investigation of ion-electrode interactions of linear polyimides and alkali metal ions for next generation alternative-ion batteries	42
Metastable doubly threaded [3]rotaxanes with a large macrocycle	42
Engineering perfluoroarenes for enhanced molecular barrier effect and chirality transfer in solutions	42
Motif-based zwitterionic peptides impact their structure and immunogenicity	41
Asymmetric and zwitterionic Blatter diradicals	41
Implications of Ga promotion and metal–oxide interface from tailored PtGa propane dehydrogenation catalysts supported on carbon	41
Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids	41
Palladium/XuPhos-catalyzed enantioselective cascade Heck/intermolecular C(sp2)–H alkylation reaction	41
SpaiNN: equivariant message passing for excited-state nonadiabatic molecular dynamics	41
Wide-range color-tunable polycyclo-heteraborin multi-resonance emitters containing B–N covalent bonds	41
Unravelling the role of spin–vibrational coupling in designing high-performance pentagonal bipyramidal Dy(iii) single ion magnets	41
A controlled non-radical chlorine activation pathway on hematite photoanodes for efficient oxidative chlorination reactions	41
Improving the interfacial stability of ultrahigh-nickel cathodes with PEO-based electrolytes by targeted chemical reactions	41
Wireless electrochemical light emission in ultrathin 2D nanoconfinements	41
Unleashing non-conjugated polymers as charge relay mediators	41
Synthesis and crystallization of a carboxylate functionalized N-heterocyclic carbene-based Au13 cluster with strong photo-luminescence	41
Fragile intermediate identification and reactivity elucidation in electrochemical oxidative α-C(sp3)–H functionalization of tertiary amines	41
A carbon-based bifunctional heterogeneous enzyme: toward sustainable pollution control	41
Supramolecular engineering cascade regulates NIR-II J-aggregates to improve photodynamic therapy	41
A domino-like localized cascade toehold assembly amplification-based DNA nanowire for microRNA imaging in living cells	41
Experimental and theoretical comprehension of ESIPT fluorophores based on a 2-(2′-hydroxyphenyl)-3,3′-dimethylindole (HDMI) scaffold	41
Plastic recognition and electrogenic uniport translocation of 1st-, 2nd-, and 3rd-row transition and post-transition metals by primary-active transmembrane P1B-2<	41
Catalytic asymmetric construction of 1,5-remote Si- and C-stereocenters via desymmetrizing ene reaction of bis(methallyl)silanes	41
Iron-catalysed hydroalumination of internal alkynes	41
Low thermal quenching of metal halide-based metal–organic framework phosphor for light-emitting diodes	41
Total synthesis of (−)-scabrolide A and (−)-yonarolide	40
Confined semiconducting polymers with boosted NIR light-triggered H2O2 production for hypoxia-tolerant persistent photodynamic therapy	40
Establishing the selective phospholipid membrane coordination, permeation and lysis properties for a series of ‘druggable’ supramolecular self-associating antimicrobial amphiphiles	40
Photoinduced metal-free borylation of aryl halides catalysed by an in situ formed donor–acceptor complex	40
Visualization of drug release in a chemo-immunotherapy nanoplatform via ratiometric 19F magnetic resonance imaging	40
One-pot chemical pyro- and tri-phosphorylation of peptides by using diamidophosphate in water	40