Chemical Science

Article	Citations
Back cover	254
Enantioselective nickel-catalyzed Mizoroki–Heck cyclizations of amide electrophiles	244
Simulation of ultrafast transient absorption spectra of a perylene-based light harvesting antenna	238
Back cover	229
Leveraging reactivity to gain precise control over macromolecular structures with photocatalysis in reversible-deactivation radical polymerizations	228
Structural insights into a bacterial terpene cyclase fused with haloacid Dehalogenase-like phosphatase	210
Phototoxicity of hydroxymethyl-BODIPYs: are photocages that innocent?	184
Contents list	180
Inside front cover	177
Inside front cover	169
Gaining control on optical force by the stimulated-emission resonance effect	166
Correction: FragGen: towards 3D geometry reliable fragment-based molecular generation	164
Back cover	161
18F-Labeled brain-penetrant EGFR tyrosine kinase inhibitors for PET imaging of glioblastoma	160
Three-dimensional structural alignment based discovery and molecular basis of AtoB, catalyzing linear tetracyclic formation	158
Correction: Structural tuning of organoruthenium compounds allows oxidative switch to control ER stress pathways and bypass multidrug resistance	158
Correction: Multi-stimuli programmable FRET based RGB absorbing antennae towards ratiometric temperature, pH and multiple metal ion sensing	156
Correction: Magnetic coupling between Fe(NO) spin probe ligands through diamagnetic NiII, PdII and PtII tetrathiolate bridges	148
Front cover	146
Front cover	145
Contents list	141
Contents list	141
Light-controlled enzymatic synthesis of γ-CD using a recyclable azobenzene template	139
Inside front cover	138
Arresting dissolution of two-dimensional metal–organic frameworks enables long life in electrochemical devices	136

Inside back cover	135
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Front cover	124
Probing substrate binding inside a paramagnetic cavity: a NMR spectroscopy toolbox for combined experimental and theoretical investigation	123
Inside front cover	123
Contents list	123
Inside back cover	122
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Chiral cobalt(ii) complex-promoted asymmetric para-Claisen rearrangement of allyl α-naphthol ethers	119
Orbital electron delocalization of axial-coordinated modified FeN4 and structurally ordered PtFe intermetallic synergistically for efficient oxygen reduction reaction catalysis	119
Structure–function relationships in pure archaeal bipolar tetraether lipids	119
In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations	114
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	114
Photochemical synthesis of carbazole-fused Blatter radicals: effective spin injection to the carbazole system	113
Mori generalized master equations offer an efficient route to predict and interpret polaron transport	113
Controlled, one-pot synthesis of recyclable poly(1,3-diene)-polyester block copolymers, catalyzed by yttrium β-diketiminate complexes	112
Syntheses, homeomorphic and configurational isomerizations, and structures of macrocyclic aliphatic dibridgehead diphosphines; molecules that turn themselves inside out	108
Guiding catalytic CO2 reduction to ethanol with copper grain boundaries	107
Intramolecular photochemical [2 + 1]-cycloadditions of nucleophilic siloxy carbenes	106
Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol	105
Strain-enabled radical spirocyclization cascades: rapid access to spirocyclobutyl lactones and – lactams	105
Visible light-driven dearomative ring expansion of (aza)arenes to access dihydrofuran-based polycyclic compounds	103
Self-sensitized Cu(ii)-complex catalyzed solar driven CO2 reduction	103
Non-covalent reconfigurable microgel colloidosomes with a well-defined bilayer shell	103
Molecularly engineered AIEgens with enhanced quantum and singlet-oxygen yield for mitochondria-targeted imaging and photodynamic therapy	102
RAFT step-growth polymerization via the Z-group approach and deconstruction by RAFT interchange	101
Photo-Generated Radicals Mediated Molecular Luminescence Enhancement	100
On the use of real-world datasets for reaction yield prediction	100
Back cover	100
Study of the thermally-activated delayed fluorescence (TADF) mechanism of phenothiazine–dibenzothiophene- S , S	100
Mechanochemically-induced glass formation from two-dimensional hybrid organic–inorganic perovskites	99
Acridine photocatalysis enables tricomponent direct decarboxylative amine construction	97
Dynamic handedness inversion of self-organized helical superstructures enabled by novel thermally stable light-driven chiral hydrazone switches	97
“Mn-locking” effect by anionic coordination manipulation stabilizing Mn-rich phosphate cathodes	95
Origin of low melting point of ionic liquids: dominant role of entropy	95
Simultaneously enhancing the planarity and electron-donating capability of donors for through-space charge transfer TADF towards deep-red emission	94
Spin polarized electron dynamics enhance water splitting efficiency by yttrium iron garnet photoanodes: a new platform for spin selective photocatalysis	94
Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets	94
Facile preparation of sulfonium peptide and protein probes for selective crosslinking of methyllysine readers	92
Mechanisms of controlled stabilizer-free synthesis of gold nanoparticles in liquid aerosol containing plasma	92
A reversible plasmonic nanoprobe for dynamic imaging of intracellular pH during endocytosis	90
Bromine radical release from a nickel-complex facilitates the activation of alkyl boronic acids: a boron selective Suzuki–Miyaura cross coupling	90
A general strategy to the intracellular sensing of glycosidases using AIE-based glycoclusters	90
Molecular engineering of 1D conjugated copper anilate coordination polymers for boosting electrocatalytic nitrate reduction to ammonia	90
Influence of the Pt/ionomer/water interface on the oxygen reduction reaction: insights into the micro-three-phase interface	90
Visible-light-initiated metal-free Csp3–Csp3 to Csp3–N conversion in homobenzylic sulfonamides with N-iodoimides	89
Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium	89
Unraveling the local coordination effect of Cu–N–C single-atom catalysts towards CO adsorption via a gas-phase cluster model approach	88
Mechanism and dynamics of photoswitchable flavoprotein charge-transfer complexes	87

Correction: When SF5 outplays CF3: effects of pentafluorosulfanyl decorated scorpionates on copper	87
Formal synthesis of kibdelomycin and derivatisation of amycolose glycosides	87
Aminocatalytic enantioselective [2 + 2] cycloaddition of Bicyclo[1.1.0]butanes and α,β-unsaturated aldehydes	86
Proton transfer induced excited-state aromaticity gain for chromophores with maximal Stokes shifts	86
Front cover	86
Beyond diffusion: ion and electron migration contribute to charge transport in redox-conducting metal–organic frameworks	86
Deciphering the chemical bonding of the trivalent oxygen atom in oxygen doped graphene	85
Isoacridone dyes with parallel reactivity from both singlet and triplet excited states for biphotonic catalysis and upconversion	84
Time-resolved circular dichroism of excitonic systems: theory and experiment on an exemplary squaraine polymer	84
Peptide stereocomplex cross-links for polymer hydrogels	83
Impact of vibrational strong coupling on liquid–liquid phase separation in supramolecular polymers	83
Negative cooperativity in the formation of H-bond networks involving primary anilines	83
Affinity-based protein profiling of MDM2 inhibitor Navtemadlin	82
Therapeutic efficacy of 211At-radiolabeled 2,6-diisopropylphenyl azide in mouse models of human lung cancer	82
Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the α/β-hydrolase fold	81
Probing the water adsorption and stability under steam flow of Zr-based metal–organic frameworks using 91Zr solid-state NMR spectroscopy	81
Engineering mechanisms of proton-coupled electron transfer to a titanium-substituted polyoxovanadate–alkoxide	81
Visible-light-induced organocatalytic enantioselective N–H insertion of α-diazoesters enabled by indirect free carbene capture	80
Photochemical H2 activation by an Zn–Fe heterometallic: a mechanistic investigation	79
Engineering Pd-based charge-asymmetrical metal pair sites to promote *CHO–CHO coupling for selective C2 photoreduction to C2H4	78
Easy access to amphiphilic nitrogenous block copolymers via switchable catalysis	77
(3 + 2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light	77
Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones	76
Competing dynamics of intramolecular deactivation and bimolecular charge transfer processes in luminescent Fe(iii) N-heterocyclic carbene complexes	76
High order assembly of multiple protein cages with homogeneous sizes and shapes via limited cage surface engineering	76
Identification of metal-centered excited states in Cr(iii) complexes with time-resolved L-edge X-ray spectroscopy	76
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	76
Correction: Site- and stereoselective silver-catalyzed intramolecular amination of electron-deficient heterobenzylic C–H bonds	76
Efficient helical columnar emitters of chiral homoleptic Pt(ii) metallomesogens for circularly polarized electroluminescence	76
Leveraging heterocycle-fused 1,4-benzoquinone to design chemical modulators for both metal-free and metal-bound amyloid-β	75
Metalation-induced denitrogenative reductive coupling of isocyanides on a silylene-bridged nickel cluster	75
Front cover	74
A silylboronate-mediated strategy for cross-coupling of alkyl fluorides with aryl alkanes: mechanistic insights and scope expansion	74
Inside front cover	74
A constitutional isomer selective chemical proteomic strategy for system-wide profiling of protein lysine 5-hydroxylation	74
Identification of allosteric sites and ligand-induced modulation in the dopamine receptor through large-scale alchemical mutation scan	73
Defect-engineered surfaces to investigate the formation of self-assembled molecular networks	73
Inside front cover	73
Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion	73
More π, please: What drives the formation of unsaturated molecules in the interstellar medium?	73
Electrochemical hydrogenative coupling of nitrobenzene into azobenzene over a mesoporous palladium–sulfur cathode	72
Light-induced twisting, untwisting, and retwisting of aromatic polyamides: an interplay between the induced chirality and the co-facial π-stacking interactions	72
Mechanism of action and evaluation of ratiometric probes for uric acid using lanthanide complexes with tetraazatriphenylene sensitisers	72
Excitation generated preferential binding sites for ethane on porous carbon–copper porphyrin sorbents: ethane/ethylene adsorptive separation improved by light	72
Luminescent carbene–copper(i)–amide polymers for efficient host-free solution-processed OLEDs	71
Transcriptome-wide identification of single-stranded RNA binding proteins	71
Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction	71
Biosynthesis of pleuromutilin congeners using an Aspergillus oryzae expression platform	71
Direct detection of spin polarization in photoinduced charge transfer through a chiral bridge	70
Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects	70
109Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials	70
Applications of metal–organic framework-based bioelectrodes	70
Correction: Ultrahigh photocatalytic hydrogen evolution of linear conjugated terpolymers enabled by an ultra-low ratio of the benzothiadiazole monomer	70
Modulatory spin-flip of triplet excitons via diversiform electron-donating units for MR-TADF emitters towards solution-processed narrowband OLEDs	69
Retaining the structural integrity of disulfide bonds in diphtheria toxoid carrier protein is crucial for the effectiveness of glycoconjugate vaccine candidates	69
State-of-the-art accounts of hyperpolarized 15N-labeled molecular imaging probes for magnetic resonance spectroscopy and imaging	69
Redox-neutral manganese-catalyzed synthesis of 1-pyrrolines	69
A biocompatible hydrogel as a template for oxidative decomposition reactions: a chemodosimetric analysis and in vitro imaging of hypochlorite	69
A photoinduced transient activating strategy for late-stage chemoselective C(sp3)–H trifluoromethylation of azines	69
Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt	69
An AND-gate bioluminescent probe for precise tumor imaging	68
Highly efficient organic long persistent luminescence based on host–guest doping systems	68
LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry	68
Augmenting genetic algorithms with machine learning for inverse molecular design	68
Spectroscopic application of few-femtosecond deep-ultraviolet laser pulses from resonant dispersive wave emission in a hollow capillary fibre	67
Beyond chemical structures: lessons and guiding principles for the next generation of molecular databases	67
Two-sided asymmetric nanofluidic membrane for enhanced ion transport and osmotic energy harvesting	67
How do donor and acceptor substituents change the photophysical and photochemical behavior of dithienylethenes? The search for a water-soluble visible-light photoswitch	67
A J-aggregated nanoporphyrin overcoming phototoxic side effects in superior phototherapy with two-pronged effects	66
Multi-region mapping of ligand binding and structural changes in the β-1 adrenergic receptor using carbene footprinting and mass spectrometry	66
Understanding nascent plasmons and metallic bonding in atomically precise gold nanoclusters	66
A tetraazanaphthalene radical-bridged dysprosium single-molecule magnet with a large coercive field	66
Catalytic asymmetric hydrometallation of cyclobutenes with salicylaldehydes	66
Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series	66
Bucking the trend: understanding lipopolysaccharide structure and outer membrane dynamics in cold-adapted Pseudomonas isolated from Enigma Lake, Antarctica	65
De novogeneration of a bright blue fluorophore from 2-oxoglutarate in biological samples	65
Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns	65
[2 + 2] cycloaddition and its photomechanical effects on 1D coordination polymers with reversible amide bonds and coordination site regulation	65
Molecular brush-based ultrathin polymer electrolytes with stable interfaces for high-voltage large-areal-capacity lithium metal batteries	65
Curved graphene nanoribbons derived from tetrahydropyrene-based polyphenylenesviaone-pot K-region oxidation and Scholl cyclization	64

Development of 8–17 XNAzymes that are functional in cells	64
A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage	64
Ultrafast and selective labeling of endogenous proteins using affinity-based benzotriazole chemistry	64
Ambipolar conjugated ladder polymers by room-temperature Knoevenagel polymerization	64
The supersaturation perspective on the amyloid hypothesis	64
Unified ionic and radical C-4 alkylation and arylation of pyridines	64
Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation	63
Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes	63
Detection of single-cell enzyme activity by single-time-point stable isotope probing-mass spectrometry	63
With or without a co-solvent? highly efficient ultrafast phenanthrenequinone-electron rich alkene (PQ-ERA) photoclick reactions	63
Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media	63
Tuning through-space interactions via the secondary coordination sphere of an artificial metalloenzyme leads to enhanced Rh(iii)-catalysis	63
Effect of cyclic topology versus linear terpolymers on antibacterial activity and biocompatibility: antimicrobial peptide avatars	63
Peripherally fused spiro structures enable the development of narrowband TADF emitters for highly efficient blue OLEDs	63
A method to identify small molecule/protein pairs susceptible to protein ubiquitination by the CRBN E3 ligase	62
Coexisting gases regulate the rates of water adsorption by a flexible one-dimensional coordination polymer	62
Drop-cast gold nanoparticles are not always electrocatalytically active for the borohydride oxidation reaction	61
Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates	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
Reactivity of 1,3-enyne MIDA boronates: exploration of novel 1,2-alkyne shift via gem-difluorination	61
Biocatalytic reductive amination as a route to isotopically labelled amino acids suitable for analysis of large proteins by NMR	61
Deconvoluting binding sites in amyloid nanofibrils using time-resolved spectroscopy	61
Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene	60
Ultra-long cycle sodium ion batteries enabled by the glutaric anhydride additive	60
De novo synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular SNAr reaction	60
A free boratriptycene-type Lewis superacid	60
Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides	60
Accelerating the end-to-end production of cyclic phosphate monomers with modular flow chemistry	60
Engineering the solid electrolyte interphase for enhancing high-rate cycling and temperature adaptability of lithium-ion batteries	60
MR-TADF liquid crystals: towards self assembling host–guest mixtures showing narrowband emission from the mesophase	60
Ni-catalyzed asymmetric hydrophosphinylation of conjugated enynes and mechanistic studies	59
pH jump kinetics in colliding microdroplets: accelerated synthesis of azamonardine from dopamine and resorcinol	59
DNP NMR spectroscopy enabled direct characterization of polystyrene-supported catalyst species for synthesis of glycidyl esters by transesterification	59
Roles of adhesives in forming mechanically robust superhydrophobic coatings	58
Reducing the internal reorganization energy via symmetry controlled π-electron delocalization	58
Enhanced ion intercalation in Ni x K 1−2	58
Site-specific doping of silver atoms into a Au25 nanocluster as directed by ligand binding preferences	58
Strategic design of Fe and N co-doped hierarchically porous carbon as superior ORR catalyst: from the perspective of nanoarchitectonics	58
Synthesis of polysubstituted cyclobutanes through a photoredox strain-release/[3,3]-rearrangement cascade	58
Chemiluminescent duplex analysis using phenoxy-1,2-dioxetane luminophores with color modulation	58
The organophosphorus synthesis triangle: introducing methods for the missing quaternization and de-quaternization routes	58
Hydroalkylation of styrenes enabled by boryl radical mediated halogen atom transfer	57
Double coordination shell modulation of nitrogen-free atomic manganese sites for enhancing oxygen reduction performance	57
Planar pentacoordinate s-block metals	57
Deciphering the mechanism of hydrogen peroxide formation in ultrasound-mediated water-in-oil microdroplets	57
A methyltransferase molecular switch unlocks para -quinone methide generation and oligomerization	57
Multifaceted nucleic acid probing with a rationally upgraded molecular rotor	57
Sequence-dependent conformational transitions of disordered proteins during condensation	56
Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties	56
Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices	56
MnO2 nanosheets as a carrier and accelerator for improved live-cell biosensing application of CRISPR/Cas12a	56
First synthesis of RuSn solid-solution alloy nanoparticles and their enhanced hydrogen evolution reaction activity	56
Revisiting the reaction pathways for phospholipid hydrolysis catalyzed by phospholipase A2 with QM/MM methods	55
Cold-catalytic antitumor immunity with pyroelectric black phosphorus nanosheets	55
Catalysis of a LiF-rich SEI by aromatic structure modified porous polyamine for stable all-solid-state lithium metal batteries	55
RGB tri-luminescence in organic–inorganic zirconium halide perovskites	55
Revealing the nature of covalently tethered distonic radical anions in the generation of heteroatom-centered radicals: evidence for the polarity-matching PCET pathway	55
“Dual lock-and-key” triggered and endoplasmic reticulum targeting nanophotosensitizers for activatable Type-I photodynamic and photothermal therapies	55
In situ modification of the d-band in the core–shell structure for efficient hydrogen storage via electrocatalytic N2 fixation	55
Polymerization-induced self-assembly enables access to diverse highly ordered structures through kinetic and thermodynamic pathways	55
Visible light-induced Mallory reaction of tertiary benzanilides via iminium intermediates	54
Front cover	54
Correction: Ion pair extractant selective for LiCl and LiBr	54
Cobalt- or rhodium-catalyzed synthesis of 1,2-dihydrophosphete oxides via C–H activation and formal phosphoryl migration	54
Inside front cover	54
Inside front cover	54
Contents list	54
Decoupled tin–silver batteries with long cycle life and power output stability based on dendrite-free tin anode and halide insertion cathode chemistry	54
Front cover	54
Decoding the role of mycobacterial lipid remodelling and membrane dynamics in antibiotic tolerance	53
Dichlorine–pyridine N-oxide halogen-bonded complexes	53
Establishing the selective phospholipid membrane coordination, permeation and lysis properties for a series of ‘druggable’ supramolecular self-associating antimicrobial amphiphiles	53
Transient-absorption spectroscopy of dendrimers via nonadiabatic excited-state dynamics simulations	53
A focus on computer vision for non-contact monitoring of catalyst degradation and product formation kinetics	53
Reversible excited state electron transfer in an acceptor–acceptor hetero dyad	53
Correlation-driven charge migration triggered by infrared multi-photon ionization	53
Promoting cationic redox and stabilizing lattice oxygen in an Fe-based DRX cathode by the synergy of initial Li deficiency and 3D hierarchical porous architecture	53
Experimental and computational insights into the mechanism of the copper(i)-catalysed sulfonylative Suzuki–Miyaura reaction	53
Correction: Cationic pillar[6]arene/ATP host–guest recognition: selectivity, inhibition of ATP hydrolysis, and application in multidrug resistance treatment	53
Experiment-guided molecular simulations define a heterogeneous structural ensemble for the PTPN11 tandem SH2 domains	53
A carbon-based bifunctional heterogeneous enzyme: toward sustainable pollution control	53
Unraveling disorder-to-order transitions and chemical ordering in PtCoM ternary alloys using machine learning potential	53
Methyl scanning approach for enhancing the biological activity of the linear peptidic natural product, efrapeptin C	52
A metal-free strategy to construct fluoroalkyl–olefin linkages using fluoroalkanes	52
Long-range hydrogen-bond relay catalyses the excited-state proton transfer reaction	52
Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand	52
Formulating cathode materials based on high-entropy strategies for sodium-ion batteries	52
Spontaneous amino–yne click polymerization enabled by pyridinium-activated alkynes toward p–π conjugated ionic polymers	52
Front cover	52
Visualization of drug release in a chemo-immunotherapy nanoplatform via ratiometric 19F magnetic resonance imaging	52
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	52
Engineering perfluoroarenes for enhanced molecular barrier effect and chirality transfer in solutions	52
Deducing the conformational space for an octa-proline helix	52
Universal dynamical onset in water at distinct material interfaces	51
Self-assembled PROTACs enable glycoproteins degradation in the living cells	51