Chemical Science

Article	Citations
Back cover	344
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Contents list	307
Inside front cover	289
Inside front cover	257
Gaining control on optical force by the stimulated-emission resonance effect	216
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Front cover	192
Contents list	188
Inside front cover	183
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Front cover	158
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Inside front cover	156
Contents list	145
Front cover	137
18F-Labeled brain-penetrant EGFR tyrosine kinase inhibitors for PET imaging of glioblastoma	129
Multi-region mapping of ligand binding and structural changes in the β-1 adrenergic receptor using carbene footprinting and mass spectrometry	129
Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media	126
Self-sensitized Cu(ii)-complex catalyzed solar driven CO2 reduction	125
Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes	122
Back cover	120
Back cover	120
Detection of single-cell enzyme activity by single-time-point stable isotope probing-mass spectrometry	118

Front cover	118
Engineering Pd-based charge-asymmetrical metal pair sites to promote *CHO–CHO coupling for selective C 2 photoreduction to C	118
A methyltransferase molecular switch unlocks para -quinone methide generation and oligomerization	116
Probing substrate binding inside a paramagnetic cavity: a NMR spectroscopy toolbox for combined experimental and theoretical investigation	111
Inside front cover	111
Front cover	111
Arresting dissolution of two-dimensional metal–organic frameworks enables long life in electrochemical devices	110
Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion	109
Light-controlled enzymatic synthesis of γ-CD using a recyclable azobenzene template	108
Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the α/β-hydrolase fold	107
An AND-gate bioluminescent probe for precise tumor imaging	106
A theoretical framework to understand high electron mobilities in cable bacteria	104
Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices	103
Back cover	98
pH jump kinetics in colliding microdroplets: accelerated synthesis of azamonardine from dopamine and resorcinol	97
A reflection on ‘A hydrazone-based covalent organic framework for photocatalytic hydrogen production’: teaching sponges new tricks	97
Negative cooperativity in the formation of H-bond networks involving primary anilines	96
Revealing the nature of covalently tethered distonic radical anions in the generation of heteroatom-centered radicals: evidence for the polarity-matching PCET pathway	96
Boraindenes as versatile precursors to benzannulated boron heterocycles	94
Deconvoluting binding sites in amyloid nanofibrils using time-resolved spectroscopy	93
Structure–function relationships in pure archaeal bipolar tetraether lipids	92
Inside front cover	92
Polymerization-induced self-assembly enables access to diverse highly ordered structures through kinetic and thermodynamic pathways	91
Three-dimensional structural alignment based discovery and molecular basis of AtoB, catalyzing linear tetracyclic formation	90
Correction: Structural tuning of organoruthenium compounds allows oxidative switch to control ER stress pathways and bypass multidrug resistance	90
Correction: Multi-stimuli programmable FRET based RGB absorbing antennae towards ratiometric temperature, pH and multiple metal ion sensing	90
Correction: Magnetic coupling between Fe(NO) spin probe ligands through diamagnetic Ni II , Pd II	89
Correction: FragGen: towards 3D geometry reliable fragment-based molecular generation	89
Correction: When SF 5 outplays CF 3 : effects of pentafluorosulfanyl decorated scorpionates on cop	89
Synergistic effect of MOF fillers and succinonitrile in PEO-based electrolytes for long-cycle all-solid-state Li–CO 2 batteries	88
Correction: Site- and stereoselective silver-catalyzed intramolecular amination of electron-deficient heterobenzylic C–H bonds	88
Mechanochemically-induced glass formation from two-dimensional hybrid organic–inorganic perovskites	88
The organophosphorus synthesis triangle: introducing methods for the missing quaternization and de-quaternization routes	88
Revisiting the reaction pathways for phospholipid hydrolysis catalyzed by phospholipase A2 with QM/MM methods	87
Catalytic asymmetric P (III) -additions to salicylaldehydes enable divergent stereoselective dearomatizations of phenols	87
Superstructure-induced enhancement of solid-state triphenylacrylonitrile photochromism via a macrocycle-mediated blocking strategy	86
Inside front cover	86
Chiral cobalt( ii ) complex-promoted asymmetric para -Claisen rearrangement of allyl α-naphthol ethers	86
Competing dynamics of intramolecular deactivation and bimolecular charge transfer processes in luminescent Fe(iii) N-heterocyclic carbene complexes	86
Visible-light-initiated metal-free Csp3–Csp3 to Csp3–N conversion in homobenzylic sulfonamides with N-iodoimides	83
Transcriptome-wide identification of single-stranded RNA binding proteins	83
Toward functional and structurally complex Frank–Kasper phases via creating concavities on supramolecular micelles	83
Enantioselective nickel-catalyzed Mizoroki–Heck cyclizations of amide electrophiles	82
Biosynthesis of pleuromutilin congeners using an Aspergillus oryzae expression platform	81
Influence of the Pt/ionomer/water interface on the oxygen reduction reaction: insights into the micro-three-phase interface	80
Bucking the trend: understanding lipopolysaccharide structure and outer membrane dynamics in cold-adapted Pseudomonas isolated from Enigma Lake, Antarctica	80
With or without a co-solvent? highly efficient ultrafast phenanthrenequinone-electron rich alkene (PQ-ERA) photoclick reactions	79
Identification of metal-centered excited states in Cr(iii) complexes with time-resolved L-edge X-ray spectroscopy	79
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	78
Lattice-coherent interface-reinforced sodium-layered oxide cathodes	78

Proton transfer induced excited-state aromaticity gain for chromophores with maximal Stokes shifts	77
Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium( i ) compounds: squarate dianion vs.	77
Planar pentacoordinate s-block metals	77
Molecular engineering of 1D conjugated copper anilate coordination polymers for boosting electrocatalytic nitrate reduction to ammonia	77
NH 4 + -mediated interfacial chemistry for collaborative dual-pathway high-mass-loading energy storage	77
HCl-mediated silylation of C–H bonds in (hetero)arenes with trialkylsilanes	76
A method to identify small molecule/protein pairs susceptible to protein ubiquitination by the CRBN E3 ligase	75
Inch-sized achiral perovskite ferroelectric single crystals for multiaxial passive circularly polarized light response	75
Reactivity of 1,3-enyne MIDA boronates: exploration of novel 1,2-alkyne shift via gem-difluorination	74
Beyond diffusion: ion and electron migration contribute to charge transport in redox-conducting metal–organic frameworks	74
Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction	73
Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series	73
Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates	73
Electrochemical hydrogenative coupling of nitrobenzene into azobenzene over a mesoporous palladium–sulfur cathode	73
(3 + 2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light	73
Non-radical pathways control methane sulfonation versus oxygenation C–H functionalization selectivity with Hg( ii	72
Development of 8–17 XNAzymes that are functional in cells	72
Double coordination shell modulation of nitrogen-free atomic manganese sites for enhancing oxygen reduction performance	71
A solid composite electrolyte based on three-dimensional structured zeolite networks for high-performance solid-state lithium metal batteries	71
Two-sided asymmetric nanofluidic membrane for enhanced ion transport and osmotic energy harvesting	70
Synthesis of polysubstituted cyclobutanes through a photoredox strain-release/[3,3]-rearrangement cascade	70
Chemiluminescent duplex analysis using phenoxy-1,2-dioxetane luminophores with color modulation	70
Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones	69
Axially chiral thiophene scaffolds: configurational stability and circularly polarized luminescence	69
Platinum-based phosphorescent lifetime probes for the visualisation of G-quadruplex DNA in cells	68
Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium	67
Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol	67
Time-resolved circular dichroism of excitonic systems: theory and experiment on an exemplary squaraine polymer	67
Phototoxicity of hydroxymethyl-BODIPYs: are photocages that innocent?	67
Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides	66
Easy access to amphiphilic nitrogenous block copolymers via switchable catalysis	66
Formal synthesis of kibdelomycin and derivatisation of amycolose glycosides	66
[2 + 2] cycloaddition and its photomechanical effects on 1D coordination polymers with reversible amide bonds and coordination site regulation	65
Photochemical synthesis of carbazole-fused Blatter radicals: effective spin injection to the carbazole system	65
Study of the thermally-activated delayed fluorescence (TADF) mechanism of phenothiazine–dibenzothiophene- S , S	65
Zero-trigger ultrafast charge-transfer J-aggregates via Se/π-directed assembly enable synchronous ROS/heat amplification for NIR-II photoimmunotherapy	65
Light-induced twisting, untwisting, and retwisting of aromatic polyamides: an interplay between the induced chirality and the co-facial π-stacking interactions	65
RGB tri-luminescence in organic–inorganic zirconium halide perovskites	65
Correction: Polyterrylenes: synthesis and regioregularity effect on p-type charge transport and deep-red light photodetection in OFETs	65
Photocatalytic remote C(sp 3 )–H alkylation of long-chain alkenes: A tandem multicomponent approach via	65
Excitation generated preferential binding sites for ethane on porous carbon–copper porphyrin sorbents: ethane/ethylene adsorptive separation improved by light	64
Therapeutic efficacy of 211 At-radiolabeled 2,6-diisopropylphenyl azide in mouse models of human lung cancer	64
Multifaceted nucleic acid probing with a rationally upgraded molecular rotor	64
Photochemical H 2 activation by an Zn–Fe heterometallic: a mechanistic investigation	64
Characterization of a LanC-free pathway for the formation of an ll -MeLan residue and an allo AviMeCys	63
Thinking outside the library: cluster synthesis of diverse molecules on a single robotic platform	63
A silylboronate-mediated strategy for cross-coupling of alkyl fluorides with aryl alkanes: mechanistic insights and scope expansion	63
Coexisting gases regulate the rates of water adsorption by a flexible one-dimensional coordination polymer	62
Intramolecular transamidation enables one-pot synthesis of three chiral, Z-shaped perilenediimides for null-type supramolecular polymer formation	62
Affinity-based protein profiling of MDM2 inhibitor Navtemadlin	62
A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage	62
Photo-generated radical mediated molecular luminescence enhancement	61
Aminocatalytic enantioselective [2 + 2] cycloaddition of Bicyclo[1.1.0]butanes and α,β-unsaturated aldehydes	61
Nature of the heavy formal double bonds AsCh, SbCh and BiCh (Ch = S, Se, Te) in NCN-pincer supported arsinidene, stibinidene and bismuthinidene chalcogenides	61
Facile preparation of sulfonium peptide and protein probes for selective crosslinking of methyllysine readers	61
Ambipolar conjugated ladder polymers by room-temperature Knoevenagel polymerization	60
Simulation of ultrafast transient absorption spectra of a perylene-based light harvesting antenna	60
Correction: Ultrahigh photocatalytic hydrogen evolution of linear conjugated terpolymers enabled by an ultra-low ratio of the benzothiadiazole monomer	60
Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets	59
More π, please: What drives the formation of unsaturated molecules in the interstellar medium?	59
Beyond chemical structures: lessons and guiding principles for the next generation of molecular databases	59
Sodium-based donor–acceptor assemblies featuring thermally activated delayed fluorescence enabled by highly efficient through-space charge transfer	59
Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene	59
Solvation-driven interphase engineering and mechanical failure pathways in large-scale anode-free lithium metal batteries	58
Engineering the solid electrolyte interphase for enhancing high-rate cycling and temperature adaptability of lithium-ion batteries	58
Efficient helical columnar emitters of chiral homoleptic Pt(ii) metallomesogens for circularly polarized electroluminescence	58
“Mn-locking” effect by anionic coordination manipulation stabilizing Mn-rich phosphate cathodes	57
Peripherally fused spiro structures enable the development of narrowband TADF emitters for highly efficient blue OLEDs	57
Simultaneously enhancing the planarity and electron-donating capability of donors for through-space charge transfer TADF towards deep-red emission	57
Nanoarchitectonics of molecular machines, biomolecular machines, and microrobots in their collective behaviour	57
Strain-enabled radical spirocyclization cascades: rapid access to spirocyclobutyl lactones and – lactams	57
Deciphering the chemical bonding of the trivalent oxygen atom in oxygen doped graphene	56
Coupled dehydration and hydrogenation catalysis for one-pot conversion of saccharides into high-value furanic compounds	56
Engineering mechanisms of proton-coupled electron transfer to a titanium-substituted polyoxovanadate–alkoxide	56
Leveraging heterocycle-fused 1,4-benzoquinone to design chemical modulators for both metal-free and metal-bound amyloid-β	56
Fast hydrated-ion transport and desolvation in pyridinyl COF membranes via competitive coordination	55
Few-shot molecular property optimization via a domain-specialized large language model	55
Curved graphene nanoribbons derived from tetrahydropyrene-based polyphenylenesviaone-pot K-region oxidation and Scholl cyclization	55
De novo synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular SNAr reaction	55
Ultra-long cycle sodium ion batteries enabled by the glutaric anhydride additive	55

Orbital electron delocalization of axial-coordinated modified FeN4 and structurally ordered PtFe intermetallic synergistically for efficient oxygen reduction reaction catalysis	55
Metal–ligand covalency of C–H activating iridium complexes from L-edge valence-to-core resonant inelastic X-ray scattering	54
Dynamic-structural-distortion of spheroidene activates a hidden 3A g − state mediating carotenoid-to-bacteriochlorophy	54
Guiding catalytic CO 2 reduction to ethanol with copper grain boundaries	54
Microstructure of amide-functionalized polyethylenes determined by NMR relaxometry	54
High order assembly of multiple protein cages with homogeneous sizes and shapes via limited cage surface engineering	54
Peptide stereocomplex cross-links for polymer hydrogels	53
Spin polarized electron dynamics enhance water splitting efficiency by yttrium iron garnet photoanodes: a new platform for spin selective photocatalysis	53
RAFT step-growth polymerization via the Z-group approach and deconstruction by RAFT interchange	53
First synthesis of RuSn solid-solution alloy nanoparticles and their enhanced hydrogen evolution reaction activity	53
Unraveling the local coordination effect of Cu–N–C single-atom catalysts towards CO adsorption via a gas-phase cluster model approach	53
“Dual lock-and-key” triggered and endoplasmic reticulum targeting nanophotosensitizers for activatable Type-I photodynamic and photothermal therapies	53
Mechanism and dynamics of photoswitchable flavoprotein charge-transfer complexes	53
A tetraazanaphthalene radical-bridged dysprosium single-molecule magnet with a large coercive field	53
Polymorphism-driven coordination geometry engineering for boosting nitrate electroreduction in Cu-pyrazolate chains	53
Effect of cyclic topology versus linear terpolymers on antibacterial activity and biocompatibility: antimicrobial peptide avatars	53
Modulatory spin-flip of triplet excitons via diversiform electron-donating units for MR-TADF emitters towards solution-processed narrowband OLEDs	53
Biocatalytic reductive amination as a route to isotopically labelled amino acids suitable for analysis of large proteins by NMR	52
Probing the water adsorption and stability under steam flow of Zr-based metal–organic frameworks using 91Zr solid-state NMR spectroscopy	52
Leveraging reactivity to gain precise control over macromolecular structures with photocatalysis in reversible-deactivation radical polymerizations	52
Mechanisms of controlled stabilizer-free synthesis of gold nanoparticles in liquid aerosol containing plasma	52
Catalysis of a LiF-rich SEI by aromatic structure modified porous polyamine for stable all-solid-state lithium metal batteries	52
Bromine radical release from a nickel-complex facilitates the activation of alkyl boronic acids: a boron selective Suzuki–Miyaura cross coupling	52
Structural insights into a bacterial terpene cyclase fused with haloacid Dehalogenase-like phosphatase	52
Generative intelligence explores the chemical space of ten million catalysts	51
Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects	51
Isoacridone dyes with parallel reactivity from both singlet and triplet excited states for biphotonic catalysis and upconversion	51
Identification of allosteric sites and ligand-induced modulation in the dopamine receptor through large-scale alchemical mutation scan	51
Luminescent carbene–copper(i)–amide polymers for efficient host-free solution-processed OLEDs	51
Dynamic handedness inversion of self-organized helical superstructures enabled by novel thermally stable light-driven chiral hydrazone switches	51
Sequence-dependent conformational transitions of disordered proteins during condensation	51
Molten-Salt Flash Synthesis of P-Doped Iron Oxide with Engineered Oxygen Vacancies for Lattice-Oxygen Water Oxidation	51
How do donor and acceptor substituents change the photophysical and photochemical behavior of dithienylethenes? The search for a water-soluble visible-light photoswitch	51
Mechanism of action and evaluation of ratiometric probes for uric acid using lanthanide complexes with tetraazatriphenylene sensitisers	51
Mori generalized master equations offer an efficient route to predict and interpret polaron transport	50
Metal-free visible-light carbonylation of alkyl iodides to amides via consecutive photoinduced electron transfer	50
A high-affinity dopamine aptamer: implications of library diversity and negative selection	50
The supersaturation perspective on the amyloid hypothesis	50
Stepwise BN bond cleavage by isocyanides: access to the 3-azaborole structural motif	50
On the use of real-world datasets for reaction yield prediction	50
MR-TADF liquid crystals: towards self assembling host–guest mixtures showing narrowband emission from the mesophase	50
LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry	49
Distinct Adsorption Behavior and Structures of Cell-Penetrating Peptides at a Model Lipid Membrane Interface: A Heterodyne-Detected Vibrational Sum Frequency Generation Spectroscopy Study	49
Impact of vibrational strong coupling on liquid–liquid phase separation in supramolecular polymers	49
Roles of adhesives in forming mechanically robust superhydrophobic coatings	49
Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns	49
In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations	49
Visible light-driven dearomative ring expansion of (aza)arenes to access dihydrofuran-based polycyclic compounds	49
Unified ionic and radical C-4 alkylation and arylation of pyridines	49
Drop-cast gold nanoparticles are not always electrocatalytically active for the borohydride oxidation reaction	49
Augmenting genetic algorithms with machine learning for inverse molecular design	49
Hydroalkylation of styrenes enabled by boryl radical mediated halogen atom transfer	49
Enhanced ion intercalation in Ni x K 1−2	49
Acridine photocatalysis enables tricomponent direct decarboxylative amine construction	49
109 Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials	49
A demethylation-activated fluorescent DNA aptamer strategy for visualising DNA alkylation repair in living cells	49
Molecular brush-based ultrathin polymer electrolytes with stable interfaces for high-voltage large-areal-capacity lithium metal batteries	48
A constitutional isomer selective chemical proteomic strategy for system-wide profiling of protein lysine 5-hydroxylation	48
Delayed luminescence guided enhanced circularly polarized emission in atomically precise copper nanoclusters	48
Engineered π⋯π interactions favour supramolecular dimers X@[FeL 3 ] 2 (X = Cl, Br, I): solid state	48
Visible-light-induced organocatalytic enantioselective N–H insertion of α-diazoesters enabled by indirect free carbene capture	48
Contents list	48
Front cover	48
Front cover	48
Deciphering the mechanism of hydrogen peroxide formation in ultrasound-mediated water-in-oil microdroplets	48
Inside front cover	48
Experiment-guided molecular simulations define a heterogeneous structural ensemble for the PTPN11 tandem SH2 domains	48
Time-resolved vibrational spectroscopic study of molecular nanoaggregate photocatalysts	47
Yeast [FeFe]-hydrogenase-like protein Nar1 binds a [2Fe–2S] cluster	47
Transient-absorption spectroscopy of dendrimers via nonadiabatic excited-state dynamics simulations	47
Plastic recognition and electrogenic uniport translocation of 1 st -, 2 nd -, and 3	47
Asymmetric vicinal C(sp 3 )–H difunctionalization of saturated cyclic amines via synergistic photoredo	47
Design and synthesis of macrocycles with tuneable diameters and helical foldamers with customizable peripheral side chains	47
Catalytic asymmetric construction of 1,5-remote Si- and C-stereocenters via desymmetrizing ene reaction of bis(methallyl)silanes	47
A metal-free strategy to construct fluoroalkyl–olefin linkages using fluoroalkanes	47
Uncovering intramolecular singlet fission at the root of the dual fluorescence of 1,4-bis( p -nitro-β-styryl)benzene in solution	47
Front cover	46
Synthesis of N-CD 3 aryl amines via iron-catalysed site-selective aromatic C–H amination	46
Unlocking radical reactivity of cyclic diaryl λ 3 -chloranes through NHC-catalyzed three-component coupling	46
Cobalt- or rhodium-catalyzed synthesis of 1,2-dihydrophosphete oxides via C–H activation and formal phosphoryl migration	46
Back cover	46
Back cover	46
Fast synthesis of Cu@zeolitic imidazolate framework-8 (ZIF-8) derived Cu/ZnO catalysts via a facile mechanical grinding method for CO2 hydrogenation to methanol	46
A highly efficient synthetic strategy for de novo NP encapsulation into metal–organic frameworks: enabling further modulated control of catalytic propert	46
Statistical copolymer metal organic nanotubes	46
Trialkylphosphonium oxoborates as C(sp3)–H oxyanion holes and their application in catalytic chemoselective acetalization	46
Viscoelasticity of globular protein-based biomolecular condensates	46
Deducing the conformational space for an octa-proline helix	46
Accelerated confined mass transfer in piezoelectric semiconducting metal–organic frameworks for H 2 O 2	46
Beyond real: alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computers	46
Single solvent molecule effect over SN2 and E2 competition in the hydroperoxide anion reaction with ethyl-iodide	45
Alkaline-earth ion stabilized sub-nano-platinum tin clusters for propane dehydrogenation	45
The merger of electro-reduction and hydrogen bonding activation for a radical Smiles rearrangement	45
The spatial distribution of cobalt phthalocyanine and copper nanocubes controls the selectivity towards C2 products in tandem electrocatalytic CO2 reduction	45
Visualization of drug release in a chemo-immunotherapy nanoplatform via ratiometric 19F magnetic resonance imaging	45