Chemical Science

Article	Citations
Back cover	226
Front cover	224
Contents list	222
Accelerating the end-to-end production of cyclic phosphate monomers with modular flow chemistry	205
De novogeneration of a bright blue fluorophore from 2-oxoglutarate in biological samples	204
With or without a co-solvent? highly efficient ultrafast phenanthrenequinone-electron rich alkene (PQ-ERA) photoclick reactions	186
Photochemical H2 activation by an Zn–Fe heterometallic: a mechanistic investigation	170
Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series	167
Correction: Structural tuning of organoruthenium compounds allows oxidative switch to control ER stress pathways and bypass multidrug resistance	159
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	155
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	154
Revisiting the reaction pathways for phospholipid hydrolysis catalyzed by phospholipase A2 with QM/MM methods	152
18F-Labeled brain-penetrant EGFR tyrosine kinase inhibitors for PET imaging of glioblastoma	151
Probing substrate binding inside a paramagnetic cavity: a NMR spectroscopy toolbox for combined experimental and theoretical investigation	148
Three-dimensional structural alignment based discovery and molecular basis of AtoB, catalyzing linear tetracyclic formation	145
Beyond chemical structures: lessons and guiding principles for the next generation of molecular databases	142
Correction: FragGen: towards 3D geometry reliable fragment-based molecular generation	141
Back cover	138
Front cover	134
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Spin polarized electron dynamics enhance water splitting efficiency by yttrium iron garnet photoanodes: a new platform for spin selective photocatalysis	131
Correction: Site- and stereoselective silver-catalyzed intramolecular amination of electron-deficient heterobenzylic C–H bonds	129
High order assembly of multiple protein cages with homogeneous sizes and shapes via limited cage surface engineering	128
Correction: Ultrahigh photocatalytic hydrogen evolution of linear conjugated terpolymers enabled by an ultra-low ratio of the benzothiadiazole monomer	124

Contents list	124
Light-controlled enzymatic synthesis of γ-CD using a recyclable azobenzene template	123
Inside front cover	120
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Arresting dissolution of two-dimensional metal–organic frameworks enables long life in electrochemical devices	116
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Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene	102
RAFT step-growth polymerization via the Z-group approach and deconstruction by RAFT interchange	101
Augmenting genetic algorithms with machine learning for inverse molecular design	101
Time-resolved circular dichroism of excitonic systems: theory and experiment on an exemplary squaraine polymer	100
Dynamic handedness inversion of self-organized helical superstructures enabled by novel thermally stable light-driven chiral hydrazone switches	100
MR-TADF liquid crystals: towards self assembling host–guest mixtures showing narrowband emission from the mesophase	97
Inside front cover	97
Acridine photocatalysis enables tricomponent direct decarboxylative amine construction	97
Mechanism of action and evaluation of ratiometric probes for uric acid using lanthanide complexes with tetraazatriphenylene sensitisers	97
Engineering the solid electrolyte interphase for enhancing high-rate cycling and temperature adaptability of lithium-ion batteries	96
Excitation generated preferential binding sites for ethane on porous carbon–copper porphyrin sorbents: ethane/ethylene adsorptive separation improved by light	96
Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides	94
Cold-catalytic antitumor immunity with pyroelectric black phosphorus nanosheets	93
Biosynthesis of pleuromutilin congeners using an Aspergillus oryzae expression platform	93
Competing dynamics of intramolecular deactivation and bimolecular charge transfer processes in luminescent Fe(iii) N-heterocyclic carbene complexes	93
[2 + 2] cycloaddition and its photomechanical effects on 1D coordination polymers with reversible amide bonds and coordination site regulation	91
Molecularly engineered AIEgens with enhanced quantum and singlet-oxygen yield for mitochondria-targeted imaging and photodynamic therapy	90
Identification of metal-centered excited states in Cr(iii) complexes with time-resolved L-edge X-ray spectroscopy	88
Affinity-based protein profiling of MDM2 inhibitor Navtemadlin	88
Therapeutic efficacy of 211At-radiolabeled 2,6-diisopropylphenyl azide in mouse models of human lung cancer	88
Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones	88
Leveraging heterocycle-fused 1,4-benzoquinone to design chemical modulators for both metal-free and metal-bound amyloid-β	88
Inside front cover	88
Identification of allosteric sites and ligand-induced modulation in the dopamine receptor through large-scale alchemical mutation scan	86
A constitutional isomer selective chemical proteomic strategy for system-wide profiling of protein lysine 5-hydroxylation	86
A silylboronate-mediated strategy for cross-coupling of alkyl fluorides with aryl alkanes: mechanistic insights and scope expansion	86
Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion	85
Defect-engineered surfaces to investigate the formation of self-assembled molecular networks	85
Mechanisms of controlled stabilizer-free synthesis of gold nanoparticles in liquid aerosol containing plasma	84
Light-induced twisting, untwisting, and retwisting of aromatic polyamides: an interplay between the induced chirality and the co-facial π-stacking interactions	83
Metalation-induced denitrogenative reductive coupling of isocyanides on a silylene-bridged nickel cluster	83
Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns	83
Correction: When SF5 outplays CF3: effects of pentafluorosulfanyl decorated scorpionates on copper	83
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	83
Facile preparation of sulfonium peptide and protein probes for selective crosslinking of methyllysine readers	82

Deconvoluting binding sites in amyloid nanofibrils using time-resolved spectroscopy	82
Highly efficient organic long persistent luminescence based on host–guest doping systems	82
Biocatalytic reductive amination as a route to isotopically labelled amino acids suitable for analysis of large proteins by NMR	81
Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties	80
Efficient helical columnar emitters of chiral homoleptic Pt(ii) metallomesogens for circularly polarized electroluminescence	80
Redox-neutral manganese-catalyzed synthesis of 1-pyrrolines	79
Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets	79
Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices	79
Electrochemical hydrogenative coupling of nitrobenzene into azobenzene over a mesoporous palladium–sulfur cathode	78
A free boratriptycene-type Lewis superacid	77
109Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials	77
“Dual lock-and-key” triggered and endoplasmic reticulum targeting nanophotosensitizers for activatable Type-I photodynamic and photothermal therapies	76
Development of 8–17 XNAzymes that are functional in cells	76
Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the α/β-hydrolase fold	76
Site-specific doping of silver atoms into a Au25 nanocluster as directed by ligand binding preferences	76
Catalysis of a LiF-rich SEI by aromatic structure modified porous polyamine for stable all-solid-state lithium metal batteries	76
Proton transfer induced excited-state aromaticity gain for chromophores with maximal Stokes shifts	76
A biocompatible hydrogel as a template for oxidative decomposition reactions: a chemodosimetric analysis and in vitro imaging of hypochlorite	74
Enantioselective nickel-catalyzed Mizoroki–Heck cyclizations of amide electrophiles	74
Tuning through-space interactions via the secondary coordination sphere of an artificial metalloenzyme leads to enhanced Rh(iii)-catalysis	73
Guiding catalytic CO2 reduction to ethanol with copper grain boundaries	73
Revealing the nature of covalently tethered distonic radical anions in the generation of heteroatom-centered radicals: evidence for the polarity-matching PCET pathway	73
A general strategy to the intracellular sensing of glycosidases using AIE-based glycoclusters	73
Front cover	72
Simulation of ultrafast transient absorption spectra of a perylene-based light harvesting antenna	72
A J-aggregated nanoporphyrin overcoming phototoxic side effects in superior phototherapy with two-pronged effects	72
Understanding nascent plasmons and metallic bonding in atomically precise gold nanoclusters	71
Formal synthesis of kibdelomycin and derivatisation of amycolose glycosides	71
Ultrafast and selective labeling of endogenous proteins using affinity-based benzotriazole chemistry	71
Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes	71
Transcriptome-wide identification of single-stranded RNA binding proteins	70
Luminescent carbene–copper(i)–amide polymers for efficient host-free solution-processed OLEDs	70
Controlled, one-pot synthesis of recyclable poly(1,3-diene)-polyester block copolymers, catalyzed by yttrium β-diketiminate complexes	70
Visible-light-initiated metal-free Csp3–Csp3 to Csp3–N conversion in homobenzylic sulfonamides with N-iodoimides	68
Unraveling the local coordination effect of Cu–N–C single-atom catalysts towards CO adsorption via a gas-phase cluster model approach	68
Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates	68
Negative cooperativity in the formation of H-bond networks involving primary anilines	68
Synthesis of polysubstituted cyclobutanes through a photoredox strain-release/[3,3]-rearrangement cascade	68
Catalytic asymmetric hydrometallation of cyclobutenes with salicylaldehydes	67
Photochemical synthesis of carbazole-fused Blatter radicals: effective spin injection to the carbazole system	67
Beyond diffusion: ion and electron migration contribute to charge transport in redox-conducting metal–organic frameworks	67
Visible light-driven dearomative ring expansion of (aza)arenes to access dihydrofuran-based polycyclic compounds	67
Peptide stereocomplex cross-links for polymer hydrogels	67
Ni-catalyzed asymmetric hydrophosphinylation of conjugated enynes and mechanistic studies	66
Structure–function relationships in pure archaeal bipolar tetraether lipids	66
Mechanism and dynamics of photoswitchable flavoprotein charge-transfer complexes	66
Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media	66
A method to identify small molecule/protein pairs susceptible to protein ubiquitination by the CRBN E3 ligase	65
An AND-gate bioluminescent probe for precise tumor imaging	65
Mechanochemically-induced glass formation from two-dimensional hybrid organic–inorganic perovskites	65
A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage	64
Reactivity of 1,3-enyne MIDA boronates: exploration of novel 1,2-alkyne shift via gem-difluorination	64
Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion vs. metallo-ketene formation	64
Chiral cobalt(ii) complex-promoted asymmetric para-Claisen rearrangement of allyl α-naphthol ethers	64
In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations	64
Isoacridone dyes with parallel reactivity from both singlet and triplet excited states for biphotonic catalysis and upconversion	64
Intramolecular photochemical [2 + 1]-cycloadditions of nucleophilic siloxy carbenes	63
Visible-light-induced organocatalytic enantioselective N–H insertion of α-diazoesters enabled by indirect free carbene capture	63
Orbital electron delocalization of axial-coordinated modified FeN4 and structurally ordered PtFe intermetallic synergistically for efficient oxygen reduction reaction catalysis	63
More π, please: What drives the formation of unsaturated molecules in the interstellar medium?	63
Direct detection of spin polarization in photoinduced charge transfer through a chiral bridge	63
pH jump kinetics in colliding microdroplets: accelerated synthesis of azamonardine from dopamine and resorcinol	62
Bromine radical release from a nickel-complex facilitates the activation of alkyl boronic acids: a boron selective Suzuki–Miyaura cross coupling	62
Deciphering the chemical bonding of the trivalent oxygen atom in oxygen doped graphene	62
Aminocatalytic enantioselective [2 + 2] cycloaddition of Bicyclo[1.1.0]butanes and α,β-unsaturated aldehydes	62
Phototoxicity of hydroxymethyl-BODIPYs: are photocages that innocent?	61
Self-sensitized Cu(ii)-complex catalyzed solar driven CO2 reduction	61
Gaining control on optical force by the stimulated-emission resonance effect	61
How do donor and acceptor substituents change the photophysical and photochemical behavior of dithienylethenes? The search for a water-soluble visible-light photoswitch	61
Influence of the Pt/ionomer/water interface on the oxygen reduction reaction: insights into the micro-three-phase interface	61
Mori generalized master equations offer an efficient route to predict and interpret polaron transport	61
Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects	61
Chemiluminescent duplex analysis using phenoxy-1,2-dioxetane luminophores with color modulation	61
DNP NMR spectroscopy enabled direct characterization of polystyrene-supported catalyst species for synthesis of glycidyl esters by transesterification	61
Syntheses, homeomorphic and configurational isomerizations, and structures of macrocyclic aliphatic dibridgehead diphosphines; molecules that turn themselves inside out	61
Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction	60
Spectroscopic application of few-femtosecond deep-ultraviolet laser pulses from resonant dispersive wave emission in a hollow capillary fibre	60
Sequence-dependent conformational transitions of disordered proteins during condensation	60
Applications of metal–organic framework-based bioelectrodes	60
Ambipolar conjugated ladder polymers by room-temperature Knoevenagel polymerization	60

Molecular brush-based ultrathin polymer electrolytes with stable interfaces for high-voltage large-areal-capacity lithium metal batteries	60
First synthesis of RuSn solid-solution alloy nanoparticles and their enhanced hydrogen evolution reaction activity	59
Retaining the structural integrity of disulfide bonds in diphtheria toxoid carrier protein is crucial for the effectiveness of glycoconjugate vaccine candidates	59
De novo synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular SNAr reaction	59
LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry	59
Origin of low melting point of ionic liquids: dominant role of entropy	59
A reversible plasmonic nanoprobe for dynamic imaging of intracellular pH during endocytosis	58
Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt	58
Unified ionic and radical C-4 alkylation and arylation of pyridines	58
Double coordination shell modulation of nitrogen-free atomic manganese sites for enhancing oxygen reduction performance	58
Impact of vibrational strong coupling on liquid–liquid phase separation in supramolecular polymers	58
Leveraging reactivity to gain precise control over macromolecular structures with photocatalysis in reversible-deactivation radical polymerizations	58
MnO2 nanosheets as a carrier and accelerator for improved live-cell biosensing application of CRISPR/Cas12a	57
Engineering mechanisms of proton-coupled electron transfer to a titanium-substituted polyoxovanadate–alkoxide	57
Planar pentacoordinate s-block metals	57
The supersaturation perspective on the amyloid hypothesis	57
Structural insights into a bacterial terpene cyclase fused with haloacid Dehalogenase-like phosphatase	57
Simultaneously enhancing the planarity and electron-donating capability of donors for through-space charge transfer TADF towards deep-red emission	56
Drop-cast gold nanoparticles are not always electrocatalytically active for the borohydride oxidation reaction	56
Strain-enabled radical spirocyclization cascades: rapid access to spirocyclobutyl lactones and – lactams	56
Molecular engineering of 1D conjugated copper anilate coordination polymers for boosting electrocatalytic nitrate reduction to ammonia	55
Polymerization-induced self-assembly enables access to diverse highly ordered structures through kinetic and thermodynamic pathways	55
(3 + 2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light	55
Coexisting gases regulate the rates of water adsorption by a flexible one-dimensional coordination polymer	55
Two-sided asymmetric nanofluidic membrane for enhanced ion transport and osmotic energy harvesting	55
In situ modification of the d-band in the core–shell structure for efficient hydrogen storage via electrocatalytic N2 fixation	54
Multifaceted nucleic acid probing with a rationally upgraded molecular rotor	54
A photoinduced transient activating strategy for late-stage chemoselective C(sp3)–H trifluoromethylation of azines	54
Bucking the trend: understanding lipopolysaccharide structure and outer membrane dynamics in cold-adapted Pseudomonas isolated from Enigma Lake, Antarctica	54
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	54
Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol	54
Probing the water adsorption and stability under steam flow of Zr-based metal–organic frameworks using 91Zr solid-state NMR spectroscopy	54
Deciphering the mechanism of hydrogen peroxide formation in ultrasound-mediated water-in-oil microdroplets	53
Curved graphene nanoribbons derived from tetrahydropyrene-based polyphenylenesviaone-pot K-region oxidation and Scholl cyclization	53
Ultra-long cycle sodium ion batteries enabled by the glutaric anhydride additive	53
Effect of cyclic topology versus linear terpolymers on antibacterial activity and biocompatibility: antimicrobial peptide avatars	53
Non-covalent reconfigurable microgel colloidosomes with a well-defined bilayer shell	53
Reducing the internal reorganization energy via symmetry controlled π-electron delocalization	53
Modulatory spin-flip of triplet excitons via diversiform electron-donating units for MR-TADF emitters towards solution-processed narrowband OLEDs	53
On the use of real-world datasets for reaction yield prediction	53
State-of-the-art accounts of hyperpolarized 15N-labeled molecular imaging probes for magnetic resonance spectroscopy and imaging	52
“Mn-locking” effect by anionic coordination manipulation stabilizing Mn-rich phosphate cathodes	52
Contents list	52
RGB tri-luminescence in organic–inorganic zirconium halide perovskites	52
Hydroalkylation of styrenes enabled by boryl radical mediated halogen atom transfer	52
Front cover	52
Easy access to amphiphilic nitrogenous block copolymers via switchable catalysis	52
Correction: Ion pair extractant selective for LiCl and LiBr	52
Strategic design of Fe and N co-doped hierarchically porous carbon as superior ORR catalyst: from the perspective of nanoarchitectonics	52
Inside front cover	51
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Enantiomeric β-sheet peptides from Aβ form homochiral pleated β-sheets rather than heterochiral rippled β-sheets	50
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Single-molecule-level detection of interfacial molecular structures and ultrafast dynamics	50
Front cover	50
Visualizing the mode of action and supramolecular assembly of teixobactin analogues in Bacillus subtilis	50
The clinical potential of l-oligonucleotides: challenges and opportunities	49
Convergent chemoenzymatic synthesis of O-GalNAc rare cores 5, 7, 8 and their sialylated forms	49
Optical resolution via chiral auxiliaries of curved subphthalocyanine aromatics	49
Plastic recognition and electrogenic uniport translocation of 1st-, 2nd-, and 3rd-row transition and post-transition metals by primary-active transmembrane P1B-2<	49
Hydrogen atom abstraction as a synthetic route to a square planar CoII complex with a redox-active tetradentate PNNP ligand	49
Improving the interfacial stability of ultrahigh-nickel cathodes with PEO-based electrolytes by targeted chemical reactions	49
PB and AsB triple bonds in the linear PB2O− and AsB2O− species	49
Unraveling the origin of reductive stability of super-concentrated electrolytes from first principles and unsupervised machine learning	48
Unveiling the switching mechanism of robust tetrazine-based memristive nociceptors via a spectroelectrochemical approach	48
Statistical copolymer metal organic nanotubes	48
Front cover	48
Correction: A comprehensive approach for elucidating the interplay between 4fn+1 and 4fn5d1 configurations in Ln2+ complexes	48
Self-assembled PROTACs enable glycoproteins degradation in the living cells	48
Universal dynamical onset in water at distinct material interfaces	47
Unravelling the role of spin–vibrational coupling in designing high-performance pentagonal bipyramidal Dy(iii) single ion magnets	47
Supramolecular engineering cascade regulates NIR-II J-aggregates to improve photodynamic therapy	47
Highly efficient and selective Sr2+ capture using robust two-dimensional MOF nanosheets decorated with cage-like cavities	47
Engineering perfluoroarenes for enhanced molecular barrier effect and chirality transfer in solutions	47
Progress and prospects of electrolyte chemistry of calcium batteries	47
In situ lattice tuning of quasi-single-crystal surfaces for continuous electrochemical modulation	47
Pathway-dependent supramolecular polymerization by planarity breaking	47
Decoding the role of mycobacterial lipid remodelling and membrane dynamics in antibiotic tolerance	47
Asymmetric and zwitterionic Blatter diradicals	47
Wireless electrochemical light emission in ultrathin 2D nanoconfinements	47
Fabrication of azido-PEG-NHC stabilized gold nanoparticles as a functionalizable platform	47
Atomically precise surface chemistry of zirconium and hafnium metal oxo clusters beyond carboxylate ligands	46
Correlation-driven charge migration triggered by infrared multi-photon ionization	46
Confined semiconducting polymers with boosted NIR light-triggered H2O2 production for hypoxia-tolerant persistent photodynamic therapy	46
Continuous flow synthesis enabling reaction discovery	46