Chemical Science

Article	Citations
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Front cover	220
Contents list	217
Accelerating the end-to-end production of cyclic phosphate monomers with modular flow chemistry	197
De novogeneration of a bright blue fluorophore from 2-oxoglutarate in biological samples	191
With or without a co-solvent? highly efficient ultrafast phenanthrenequinone-electron rich alkene (PQ-ERA) photoclick reactions	176
Photochemical H2 activation by an Zn–Fe heterometallic: a mechanistic investigation	167
Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series	157
Correction: Structural tuning of organoruthenium compounds allows oxidative switch to control ER stress pathways and bypass multidrug resistance	155
Correction: Multi-stimuli programmable FRET based RGB absorbing antennae towards ratiometric temperature, pH and multiple metal ion sensing	153
Correction: Magnetic coupling between Fe(NO) spin probe ligands through diamagnetic NiII, PdII and PtII tetrathiolate bridges	152
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	151
Probing the water adsorption and stability under steam flow of Zr-based metal–organic frameworks using 91Zr solid-state NMR spectroscopy	146
Revisiting the reaction pathways for phospholipid hydrolysis catalyzed by phospholipase A2 with QM/MM methods	144
18F-Labeled brain-penetrant EGFR tyrosine kinase inhibitors for PET imaging of glioblastoma	143
Multifaceted nucleic acid probing with a rationally upgraded molecular rotor	141
Probing substrate binding inside a paramagnetic cavity: a NMR spectroscopy toolbox for combined experimental and theoretical investigation	141
Three-dimensional structural alignment based discovery and molecular basis of AtoB, catalyzing linear tetracyclic formation	138
Beyond chemical structures: lessons and guiding principles for the next generation of molecular databases	134
Correction: FragGen: towards 3D geometry reliable fragment-based molecular generation	131
Engineering mechanisms of proton-coupled electron transfer to a titanium-substituted polyoxovanadate–alkoxide	125
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Self-sensitized Cu(ii)-complex catalyzed solar driven CO2 reduction	124
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Spin polarized electron dynamics enhance water splitting efficiency by yttrium iron garnet photoanodes: a new platform for spin selective photocatalysis	121
“Dual lock-and-key” triggered and endoplasmic reticulum targeting nanophotosensitizers for activatable Type-I photodynamic and photothermal therapies	121
Drop-cast gold nanoparticles are not always electrocatalytically active for the borohydride oxidation reaction	118
Correction: Site- and stereoselective silver-catalyzed intramolecular amination of electron-deficient heterobenzylic C–H bonds	116
Structure–function relationships in pure archaeal bipolar tetraether lipids	115
High order assembly of multiple protein cages with homogeneous sizes and shapes via limited cage surface engineering	115
Correction: Ultrahigh photocatalytic hydrogen evolution of linear conjugated terpolymers enabled by an ultra-low ratio of the benzothiadiazole monomer	112
Contents list	109
Light-controlled enzymatic synthesis of γ-CD using a recyclable azobenzene template	109
Inside front cover	107
Non-covalent reconfigurable microgel colloidosomes with a well-defined bilayer shell	107
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Arresting dissolution of two-dimensional metal–organic frameworks enables long life in electrochemical devices	99
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Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene	91
Augmenting genetic algorithms with machine learning for inverse molecular design	91
State-of-the-art accounts of hyperpolarized 15N-labeled molecular imaging probes for magnetic resonance spectroscopy and imaging	91
RAFT step-growth polymerization via the Z-group approach and deconstruction by RAFT interchange	90
Dynamic handedness inversion of self-organized helical superstructures enabled by novel thermally stable light-driven chiral hydrazone switches	89
In situ modification of the d-band in the core–shell structure for efficient hydrogen storage via electrocatalytic N2 fixation	88
Deciphering the chemical bonding of the trivalent oxygen atom in oxygen doped graphene	88
Time-resolved circular dichroism of excitonic systems: theory and experiment on an exemplary squaraine polymer	87
In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations	87
Inside front cover	86
Chiral cobalt(ii) complex-promoted asymmetric para-Claisen rearrangement of allyl α-naphthol ethers	86
Mechanism of action and evaluation of ratiometric probes for uric acid using lanthanide complexes with tetraazatriphenylene sensitisers	86
Reducing the internal reorganization energy via symmetry controlled π-electron delocalization	86
Phototoxicity of Hydroxymethyl-BODIPYs: Are Photocages That Innocent?	86
DNP NMR spectroscopy enabled direct characterization of polystyrene-supported catalyst species for synthesis of glycidyl esters by transesterification	85
Two-sided asymmetric nanofluidic membrane for enhanced ion transport and osmotic energy harvesting	84
Molecular brush-based ultrathin polymer electrolytes with stable interfaces for high-voltage large-areal-capacity lithium metal batteries	83
Acridine photocatalysis enables tricomponent direct decarboxylative amine construction	83
Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol	83
MR-TADF liquid crystals: towards self assembling host–guest mixtures showing narrowband emission from the mesophase	83
Bucking the trend: understanding lipopolysaccharide structure and outer membrane dynamics in cold-adapted Pseudomonas isolated from Enigma Lake, Antarctica	82
Engineering the solid electrolyte interphase for enhancing high-rate cycling and temperature adaptability of lithium-ion batteries	82
Excitation generated preferential binding sites for ethane on porous carbon–copper porphyrin sorbents: ethane/ethylene adsorptive separation improved by light	82
Biosynthesis of pleuromutilin congeners using an Aspergillus oryzae expression platform	81
Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides	81
MnO2 nanosheets as a carrier and accelerator for improved live-cell biosensing application of CRISPR/Cas12a	79
Competing dynamics of intramolecular deactivation and bimolecular charge transfer processes in luminescent Fe(iii) N-heterocyclic carbene complexes	79

Cold-catalytic antitumor immunity with pyroelectric black phosphorus nanosheets	79
More π, please: What drives the formation of unsaturated molecules in the interstellar medium?	79
Planar pentacoordinate s-block metals	78
Mechanochemically-induced glass formation from two-dimensional hybrid organic–inorganic perovskites	78
Syntheses, homeomorphic and configurational isomerizations, and structures of macrocyclic aliphatic dibridgehead diphosphines; molecules that turn themselves inside out	77
Molecularly engineered AIEgens with enhanced quantum and singlet-oxygen yield for mitochondria-targeted imaging and photodynamic therapy	77
[2 + 2] cycloaddition and its photomechanical effects on 1D coordination polymers with reversible amide bonds and coordination site regulation	77
LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry	76
Intramolecular photochemical [2 + 1]-cycloadditions of nucleophilic siloxy carbenes	76
Simulation of ultrafast transient absorption spectra of a perylene-based light harvesting antenna	75
De novo synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular SNAr reaction	75
Identification of metal-centered excited states in Cr(iii) complexes with time-resolved L-edge X-ray spectroscopy	74
A reversible plasmonic nanoprobe for dynamic imaging of intracellular pH during endocytosis	74
Inside front cover	74
Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones	74
Leveraging heterocycle-fused 1,4-benzoquinone to design chemical modulators for both metal-free and metal-bound amyloid-β	72
A silylboronate-mediated strategy for cross-coupling of alkyl fluorides with aryl alkanes: mechanistic insights and scope expansion	72
Molecular engineering of 1D conjugated copper anilate coordination polymers for boosting electrocatalytic nitrate reduction to ammonia	72
Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects	72
Therapeutic efficacy of 211At-radiolabeled 2,6-diisopropylphenyl azide in mouse models of human lung cancer	72
Affinity-based protein profiling of MDM2 inhibitor Navtemadlin	72
Gaining control on optical force by the stimulated-emission resonance effect	72
A constitutional isomer selective chemical proteomic strategy for system-wide profiling of protein lysine 5-hydroxylation	71
Defect-engineered surfaces to investigate the formation of self-assembled molecular networks	71
Identification of allosteric sites and ligand-induced modulation in the dopamine receptor through large-scale alchemical mutation scan	71
The supersaturation perspective on the amyloid hypothesis	71
Mechanisms of controlled stabilizer-free synthesis of gold nanoparticles in liquid aerosol containing plasma	70
Light-induced twisting, untwisting, and retwisting of aromatic polyamides: an interplay between the induced chirality and the co-facial π-stacking interactions	70
Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion	70
Polymerization-induced self-assembly enables access to diverse highly ordered structures through kinetic and thermodynamic pathways	69
Metalation-induced denitrogenative reductive coupling of isocyanides on a silylene-bridged nickel cluster	69
Front cover	68
Ultrafast and selective labeling of endogenous proteins using affinity-based benzotriazole chemistry	67
Spectroscopic application of few-femtosecond deep-ultraviolet laser pulses from resonant dispersive wave emission in a hollow capillary fibre	67
A J-aggregated nanoporphyrin overcoming phototoxic side effects in superior phototherapy with two-pronged effects	67
Understanding nascent plasmons and metallic bonding in atomically precise gold nanoclusters	67
Transcriptome-wide identification of single-stranded RNA binding proteins	66
Formal synthesis of kibdelomycin and derivatisation of amycolose glycosides	66
Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes	66
Luminescent carbene–copper(i)–amide polymers for efficient host-free solution-processed OLEDs	65
Controlled, one-pot synthesis of recyclable poly(1,3-diene)-polyester block copolymers, catalyzed by yttrium β-diketiminate complexes	65
Negative cooperativity in the formation of H-bond networks involving primary anilines	63
Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates	63
Visible-light-initiated metal-free Csp3–Csp3 to Csp3–N conversion in homobenzylic sulfonamides with N-iodoimides	63
Direct detection of spin polarization in photoinduced charge transfer through a chiral bridge	63
Unraveling the local coordination effect of Cu–N–C single-atom catalysts towards CO adsorption via a gas-phase cluster model approach	62
Catalytic asymmetric hydrometallation of cyclobutenes with salicylaldehydes	62
Synthesis of polysubstituted cyclobutanes through a photoredox strain-release/[3,3]-rearrangement cascade	62
Beyond diffusion: ion and electron migration contribute to charge transport in redox-conducting metal–organic frameworks	62
Influence of the Pt/ionomer/water interface on the oxygen reduction reaction: insights into the micro-three-phase interface	62
Deciphering the mechanism of hydrogen peroxide formation in ultrasound-mediated water-in-oil microdroplets	61
Visible-light-induced organocatalytic enantioselective N–H insertion of α-diazoesters enabled by indirect free carbene capture	61
Mechanism and dynamics of photoswitchable flavoprotein charge-transfer complexes	61
Peptide stereocomplex cross-links for polymer hydrogels	61
Visible light-driven dearomative ring expansion of (aza)arenes to access dihydrofuran-based polycyclic compounds	61
Bromine radical release from a nickel-complex facilitates the activation of alkyl boronic acids: a boron selective Suzuki–Miyaura cross coupling	61
Photochemical synthesis of carbazole-fused Blatter radicals: effective spin injection to the carbazole system	61
Correction: When SF5 outplays CF3: effects of pentafluorosulfanyl decorated scorpionates on copper	60
Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns	60
Highly efficient organic long persistent luminescence based on host–guest doping systems	60
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	60
Facile preparation of sulfonium peptide and protein probes for selective crosslinking of methyllysine readers	60
Applications of metal–organic framework-based bioelectrodes	60
Hydroalkylation of styrenes enabled by boryl radical mediated halogen atom transfer	60
Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt	59
How do donor and acceptor substituents change the photophysical and photochemical behavior of dithienylethenes? The search for a water-soluble visible-light photoswitch	59
Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties	59
Biocatalytic reductive amination as a route to isotopically labelled amino acids suitable for analysis of large proteins by NMR	59
Efficient helical columnar emitters of chiral homoleptic Pt(ii) metallomesogens for circularly polarized electroluminescence	59
Deconvoluting binding sites in amyloid nanofibrils using time-resolved spectroscopy	59
Ultra-long cycle sodium ion batteries enabled by the glutaric anhydride additive	58
A method to identify small molecule/protein pairs susceptible to protein ubiquitination by the CRBN E3 ligase	58
A free boratriptycene-type Lewis superacid	58
Redox-neutral manganese-catalyzed synthesis of 1-pyrrolines	58
Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices	58
Structural Insights into a Bacterial Terpene Cyclase Fused with Haloacid Dehalogenase-like Phosphatase	58
Simultaneously enhancing the planarity and electron-donating capability of donors for through-space charge transfer TADF towards deep-red emission	58
(3 + 2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light	58
Electrochemical hydrogenative coupling of nitrobenzene into azobenzene over a mesoporous palladium–sulfur cathode	58
Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets	58

Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the α/β-hydrolase fold	57
109Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials	57
Mori generalized master equations offer an efficient route to predict and interpret polaron transport	57
Isoacridone dyes with parallel reactivity from both singlet and triplet excited states for biphotonic catalysis and upconversion	57
Proton transfer induced excited-state aromaticity gain for chromophores with maximal Stokes shifts	57
Curved graphene nanoribbons derived from tetrahydropyrene-based polyphenylenesviaone-pot K-region oxidation and Scholl cyclization	57
Double coordination shell modulation of nitrogen-free atomic manganese sites for enhancing oxygen reduction performance	57
Ambipolar conjugated ladder polymers by room-temperature Knoevenagel polymerization	56
Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction	56
Catalysis of a LiF-rich SEI by aromatic structure modified porous polyamine for stable all-solid-state lithium metal batteries	56
Enantioselective nickel-catalyzed Mizoroki–Heck cyclizations of amide electrophiles	55
Modulatory spin-flip of triplet excitons via diversiform electron-donating units for MR-TADF emitters towards solution-processed narrowband OLEDs	55
Site-specific doping of silver atoms into a Au25 nanocluster as directed by ligand binding preferences	55
Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media	55
Origin of low melting point of ionic liquids: dominant role of entropy	55
First synthesis of RuSn solid-solution alloy nanoparticles and their enhanced hydrogen evolution reaction activity	54
Revealing the nature of covalently tethered distonic radical anions in the generation of heteroatom-centered radicals: evidence for the polarity-matching PCET pathway	54
RGB tri-luminescence in organic–inorganic zirconium halide perovskites	54
A biocompatible hydrogel as a template for oxidative decomposition reactions: a chemodosimetric analysis and in vitro imaging of hypochlorite	54
Strategic design of Fe and N co-doped hierarchically porous carbon as superior ORR catalyst: from the perspective of nanoarchitectonics	54
Sequence-dependent conformational transitions of disordered proteins during condensation	53
Effect of cyclic topology versus linear terpolymers on antibacterial activity and biocompatibility: antimicrobial peptide avatars	53
On the use of real-world datasets for reaction yield prediction	53
Orbital electron delocalization of axial-coordinated modified FeN4 and structurally ordered PtFe intermetallic synergistically for efficient oxygen reduction reaction catalysis	53
Development of 8–17 XNAzymes that are functional in cells	53
Unified ionic and radical C-4 alkylation and arylation of pyridines	53
Strain-enabled radical spirocyclization cascades: rapid access to spirocyclobutyl lactones and – lactams	53
Chemiluminescent duplex analysis using phenoxy-1,2-dioxetane luminophores with color modulation	52
“Mn-locking” effect by anionic coordination manipulation stabilizing Mn-rich phosphate cathodes	52
Easy access to amphiphilic nitrogenous block copolymers via switchable catalysis	52
A photoinduced transient activating strategy for late-stage chemoselective C(sp3)–H trifluoromethylation of azines	52
Guiding catalytic CO2 reduction to ethanol with copper grain boundaries	52
An AND-gate bioluminescent probe for precise tumor imaging	52
Reactivity of 1,3-enyne MIDA boronates: exploration of novel 1,2-alkyne shift via gem-difluorination	51
Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation	51
Retaining the structural integrity of disulfide bonds in diphtheria toxoid carrier protein is crucial for the effectiveness of glycoconjugate vaccine candidates	51
A general strategy to the intracellular sensing of glycosidases using AIE-based glycoclusters	51
pH jump kinetics in colliding microdroplets: accelerated synthesis of azamonardine from dopamine and resorcinol	51
A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage	51
Contents list	51
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Ni-catalyzed asymmetric hydrophosphinylation of conjugated enynes and mechanistic studies	51
Tuning through-space interactions via the secondary coordination sphere of an artificial metalloenzyme leads to enhanced Rh(iii)-catalysis	51
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Catalytic enantioselective synthesis of α-C chiral sulfones enabled by merging photoactive electron donor–acceptor complexes with nickel catalysis	50
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Correction: Ion pair extractant selective for LiCl and LiBr	50
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Visualizing the mode of action and supramolecular assembly of teixobactin analogues in Bacillus subtilis	48
PB and AsB triple bonds in the linear PB2O− and AsB2O− species	48
Shallow and deep trap states of solvated electrons in methanol and their formation, electronic excitation, and relaxation dynamics	48
Single-molecule-level detection of interfacial molecular structures and ultrafast dynamics	48
Enantiomeric β-sheet peptides from Aβ form homochiral pleated β-sheets rather than heterochiral rippled β-sheets	48
Convergent chemoenzymatic synthesis of O-GalNAc rare cores 5, 7, 8 and their sialylated forms	47
Hydrogen atom abstraction as a synthetic route to a square planar CoII complex with a redox-active tetradentate PNNP ligand	47
A domino-like localized cascade toehold assembly amplification-based DNA nanowire for microRNA imaging in living cells	47
Plastic recognition and electrogenic uniport translocation of 1st-, 2nd-, and 3rd-row transition and post-transition metals by primary-active transmembrane P1B-2<	47
The clinical potential of l-oligonucleotides: challenges and opportunities	47
Improving the interfacial stability of ultrahigh-nickel cathodes with PEO-based electrolytes by targeted chemical reactions	47
Self-assembled PROTACs enable glycoproteins degradation in the living cells	47
Optical resolution via chiral auxiliaries of curved subphthalocyanine aromatics	47
Correction: A comprehensive approach for elucidating the interplay between 4fn+1 and 4fn5d1 configurations in Ln2+ complexes	46
Statistical copolymer metal organic nanotubes	46
pH-Dependent transport of amino acids across lipid bilayers by simple monotopic anion carriers	46
Engineering perfluoroarenes for enhanced molecular barrier effect and chirality transfer in solutions	46
Unraveling the origin of reductive stability of super-concentrated electrolytes from first principles and unsupervised machine learning	46
Highly efficient and selective Sr2+ capture using robust two-dimensional MOF nanosheets decorated with cage-like cavities	46
Unveiling the switching mechanism of robust tetrazine-based memristive nociceptors via a spectroelectrochemical approach	46
Front cover	46
In situ transmission electron microscopy characterization and manipulation of the morphology, composition and phase evolution of nanomaterials under microenvironmental conditions	46
In situ lattice tuning of quasi-single-crystal surfaces for continuous electrochemical modulation	46
Investigation of ion-electrode interactions of linear polyimides and alkali metal ions for next generation alternative-ion batteries	46
Atomically precise surface chemistry of zirconium and hafnium metal oxo clusters beyond carboxylate ligands	45
A room-temperature antiferroelectric in hybrid perovskite enables highly efficient energy storage at low electric fields	45
Long-range hydrogen-bond relay catalyses the excited-state proton transfer reaction	45
Correction: Self-quenched ferrocenyl diketopyrrolopyrrole organic nanoparticles with amplifying photothermal effect for cancer therapy	45
Universal dynamical onset in water at distinct material interfaces	45
Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene	45
Correction: The mechanism of the molecular CISS effect in chiral nano-junctions	45
Decoupled tin–silver batteries with long cycle life and power output stability based on dendrite-free tin anode and halide insertion cathode chemistry	45
Probing the donor strength of yldiide ligands: synthesis, structure and reactivity of rhodium complexes with a PCylideN pincer ligand	45
High-throughput screen with the l,d-transpeptidase LdtMt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors	45
Further correction: Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery	45
Deducing the conformational space for an octa-proline helix	45