Chemical Science

Article	Citations
Back cover	284
Back cover	260
Phototoxicity of hydroxymethyl-BODIPYs: are photocages that innocent?	247
Contents list	247
Inside front cover	242
Inside front cover	239
Gaining control on optical force by the stimulated-emission resonance effect	203
Correction: FragGen: towards 3D geometry reliable fragment-based molecular generation	196
Back cover	182
Three-dimensional structural alignment based discovery and molecular basis of AtoB, catalyzing linear tetracyclic formation	182
Correction: Structural tuning of organoruthenium compounds allows oxidative switch to control ER stress pathways and bypass multidrug resistance	181
Correction: Multi-stimuli programmable FRET based RGB absorbing antennae towards ratiometric temperature, pH and multiple metal ion sensing	176
Correction: Magnetic coupling between Fe(NO) spin probe ligands through diamagnetic NiII, PdII and PtII tetrathiolate bridges	172
Front cover	171
Front cover	170
Contents list	166
Contents list	164
Light-controlled enzymatic synthesis of γ-CD using a recyclable azobenzene template	154
Inside back cover	154
Inside front cover	154
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Front cover	152
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Inside front cover	151
Contents list	150

Isostructural bridging diferrous chalcogenide cores [FeII(μ-E)FeII] (E = O, S, Se, Te) with decreasing antiferromagnetic coupling down the chalcogenide series	148
De novogeneration of a bright blue fluorophore from 2-oxoglutarate in biological samples	138
Tuning through-space interactions via the secondary coordination sphere of an artificial metalloenzyme leads to enhanced Rh(iii)-catalysis	136
Peripherally fused spiro structures enable the development of narrowband TADF emitters for highly efficient blue OLEDs	134
With or without a co-solvent? highly efficient ultrafast phenanthrenequinone-electron rich alkene (PQ-ERA) photoclick reactions	134
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	129
Roles of adhesives in forming mechanically robust superhydrophobic coatings	129
Reactivity of 1,3-enyne MIDA boronates: exploration of novel 1,2-alkyne shift via gem-difluorination	129
Drop-cast gold nanoparticles are not always electrocatalytically active for the borohydride oxidation reaction	129
Enhanced ion intercalation in Ni x K 1−2	126
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	125
Inside back cover	124
Back cover	123
Controlled, one-pot synthesis of recyclable poly(1,3-diene)-polyester block copolymers, catalyzed by yttrium β-diketiminate complexes	123
Study of the thermally-activated delayed fluorescence (TADF) mechanism of phenothiazine–dibenzothiophene- S , S	122
Syntheses, homeomorphic and configurational isomerizations, and structures of macrocyclic aliphatic dibridgehead diphosphines; molecules that turn themselves inside out	122
Back cover	122
Visible-light-initiated metal-free Csp3–Csp3 to Csp3–N conversion in homobenzylic sulfonamides with N-iodoimides	121
Front cover	120
Time-resolved circular dichroism of excitonic systems: theory and experiment on an exemplary squaraine polymer	113
Negative cooperativity in the formation of H-bond networks involving primary anilines	112
Impact of vibrational strong coupling on liquid–liquid phase separation in supramolecular polymers	110
Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates	109
Photochemical H2 activation by an Zn–Fe heterometallic: a mechanistic investigation	109
High order assembly of multiple protein cages with homogeneous sizes and shapes via limited cage surface engineering	108
Mechanism of action and evaluation of ratiometric probes for uric acid using lanthanide complexes with tetraazatriphenylene sensitisers	108
Synthesis of functionalised isochromans: epoxides as aldehyde surrogates in hexafluoroisopropanol	106
Multi-region mapping of ligand binding and structural changes in the β-1 adrenergic receptor using carbene footprinting and mass spectrometry	105
Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene	105
Mechanochemically-induced glass formation from two-dimensional hybrid organic–inorganic perovskites	105
Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction	105
Beyond diffusion: ion and electron migration contribute to charge transport in redox-conducting metal–organic frameworks	103
Identification of metal-centered excited states in Cr(iii) complexes with time-resolved L-edge X-ray spectroscopy	103
Visible-light-induced organocatalytic enantioselective N–H insertion of α-diazoesters enabled by indirect free carbene capture	101
Understanding nascent plasmons and metallic bonding in atomically precise gold nanoclusters	101
18F-Labeled brain-penetrant EGFR tyrosine kinase inhibitors for PET imaging of glioblastoma	101
Polarization-induced nanohelixes of organic cocrystals from asymmetric components with dopant-induced chirality inversion	100
Bucking the trend: understanding lipopolysaccharide structure and outer membrane dynamics in cold-adapted Pseudomonas isolated from Enigma Lake, Antarctica	100
Correction: Site- and stereoselective silver-catalyzed intramolecular amination of electron-deficient heterobenzylic C–H bonds	99
Metalation-induced denitrogenative reductive coupling of isocyanides on a silylene-bridged nickel cluster	99
Front cover	98
Inside front cover	98
Defect-engineered surfaces to investigate the formation of self-assembled molecular networks	97
Inside front cover	97
Transcriptome-wide identification of single-stranded RNA binding proteins	96
Light-induced twisting, untwisting, and retwisting of aromatic polyamides: an interplay between the induced chirality and the co-facial π-stacking interactions	96
Correction: Ultrahigh photocatalytic hydrogen evolution of linear conjugated terpolymers enabled by an ultra-low ratio of the benzothiadiazole monomer	94
Direct detection of spin polarization in photoinduced charge transfer through a chiral bridge	93
Redox-neutral manganese-catalyzed synthesis of 1-pyrrolines	93
Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt	93

Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium	92
Leveraging reactivity to gain precise control over macromolecular structures with photocatalysis in reversible-deactivation radical polymerizations	92
Unraveling the local coordination effect of Cu–N–C single-atom catalysts towards CO adsorption via a gas-phase cluster model approach	92
The supersaturation perspective on the amyloid hypothesis	91
Isoacridone dyes with parallel reactivity from both singlet and triplet excited states for biphotonic catalysis and upconversion	90
Arresting dissolution of two-dimensional metal–organic frameworks enables long life in electrochemical devices	90
Applications of metal–organic framework-based bioelectrodes	90
Efficient helical columnar emitters of chiral homoleptic Pt(ii) metallomesogens for circularly polarized electroluminescence	90
Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the α/β-hydrolase fold	89
Non-covalent reconfigurable microgel colloidosomes with a well-defined bilayer shell	89
Characterization of a LanC-free pathway for the formation of an ll -MeLan residue and an allo AviMeCys	89
Chiral cobalt( ii ) complex-promoted asymmetric para -Claisen rearrangement of allyl α-naphthol ethers	89
Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium( i ) compounds: squarate dianion vs.	88
Proton transfer induced excited-state aromaticity gain for chromophores with maximal Stokes shifts	88
Visible light-driven dearomative ring expansion of (aza)arenes to access dihydrofuran-based polycyclic compounds	88
Mechanism and dynamics of photoswitchable flavoprotein charge-transfer complexes	88
Leveraging heterocycle-fused 1,4-benzoquinone to design chemical modulators for both metal-free and metal-bound amyloid-β	88
Probing substrate binding inside a paramagnetic cavity: a NMR spectroscopy toolbox for combined experimental and theoretical investigation	87
A silylboronate-mediated strategy for cross-coupling of alkyl fluorides with aryl alkanes: mechanistic insights and scope expansion	85
Deciphering the chemical bonding of the trivalent oxygen atom in oxygen doped graphene	85
Isothiourea-catalysed enantioselective synthesis of phosphonate-functionalised β-lactones	85
More π, please: What drives the formation of unsaturated molecules in the interstellar medium?	85
DNP NMR spectroscopy enabled direct characterization of polystyrene-supported catalyst species for synthesis of glycidyl esters by transesterification	84
A tetraazanaphthalene radical-bridged dysprosium single-molecule magnet with a large coercive field	84
Detection of single-cell enzyme activity by single-time-point stable isotope probing-mass spectrometry	83
Front cover	83
Deconvoluting binding sites in amyloid nanofibrils using time-resolved spectroscopy	82
Revealing the nature of covalently tethered distonic radical anions in the generation of heteroatom-centered radicals: evidence for the polarity-matching PCET pathway	82
MR-TADF liquid crystals: towards self assembling host–guest mixtures showing narrowband emission from the mesophase	81
First synthesis of RuSn solid-solution alloy nanoparticles and their enhanced hydrogen evolution reaction activity	81
[2 + 2] cycloaddition and its photomechanical effects on 1D coordination polymers with reversible amide bonds and coordination site regulation	80
Formal synthesis of kibdelomycin and derivatisation of amycolose glycosides	79
Molecularly engineered AIEgens with enhanced quantum and singlet-oxygen yield for mitochondria-targeted imaging and photodynamic therapy	79
Synthesis of polysubstituted cyclobutanes through a photoredox strain-release/[3,3]-rearrangement cascade	79
Biocatalytic reductive amination as a route to isotopically labelled amino acids suitable for analysis of large proteins by NMR	79
A J-aggregated nanoporphyrin overcoming phototoxic side effects in superior phototherapy with two-pronged effects	79
Curved graphene nanoribbons derived from tetrahydropyrene-based polyphenylenesviaone-pot K-region oxidation and Scholl cyclization	78
Engineering mechanisms of proton-coupled electron transfer to a titanium-substituted polyoxovanadate–alkoxide	78
Engineering Pd-based charge-asymmetrical metal pair sites to promote *CHO–CHO coupling for selective C 2 photoreduction to C	78
A method to identify small molecule/protein pairs susceptible to protein ubiquitination by the CRBN E3 ligase	78
Structural insights into a bacterial terpene cyclase fused with haloacid Dehalogenase-like phosphatase	78
State-of-the-art accounts of hyperpolarized 15N-labeled molecular imaging probes for magnetic resonance spectroscopy and imaging	77
Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes	77
Ultrafast and selective labeling of endogenous proteins using affinity-based benzotriazole chemistry	77
RAFT step-growth polymerization via the Z-group approach and deconstruction by RAFT interchange	77
Mechanisms of controlled stabilizer-free synthesis of gold nanoparticles in liquid aerosol containing plasma	77
Boraindenes as versatile precursors to benzannulated boron heterocycles	77
Reducing the internal reorganization energy via symmetry controlled π-electron delocalization	76
Thinking outside the library: cluster synthesis of diverse molecules on a single robotic platform	76
Accelerating the end-to-end production of cyclic phosphate monomers with modular flow chemistry	76
Catalytic asymmetric P (III) -additions to salicylaldehydes enable divergent stereoselective dearomatizations of phenols	76
Facile preparation of sulfonium peptide and protein probes for selective crosslinking of methyllysine readers	76
Retaining the structural integrity of disulfide bonds in diphtheria toxoid carrier protein is crucial for the effectiveness of glycoconjugate vaccine candidates	76
Peptide stereocomplex cross-links for polymer hydrogels	75
Enhanced N-directed electrophilic C–H borylation generates BN–[5]- and [6]helicenes with improved photophysical properties	75
Simultaneously enhancing the planarity and electron-donating capability of donors for through-space charge transfer TADF towards deep-red emission	75
Chemiluminescent duplex analysis using phenoxy-1,2-dioxetane luminophores with color modulation	75
Site-specific doping of silver atoms into a Au25 nanocluster as directed by ligand binding preferences	75
Acridine photocatalysis enables tricomponent direct decarboxylative amine construction	74
In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations	74
Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects	74
Correction: When SF5 outplays CF3: effects of pentafluorosulfanyl decorated scorpionates on copper	73
A constitutional isomer selective chemical proteomic strategy for system-wide profiling of protein lysine 5-hydroxylation	73
Polymerization-induced self-assembly enables access to diverse highly ordered structures through kinetic and thermodynamic pathways	73
Photo-generated radical mediated molecular luminescence enhancement	73
Synergistic effect of MOF fillers and succinonitrile in PEO-based electrolytes for long-cycle all-solid-state Li–CO 2 batteries	72
MnO2 nanosheets as a carrier and accelerator for improved live-cell biosensing application of CRISPR/Cas12a	72
A methyltransferase molecular switch unlocks para -quinone methide generation and oligomerization	72
Lattice-coherent interface-reinforced sodium-layered oxide cathodes	72
Intramolecular transamidation enables one-pot synthesis of three chiral, Z-shaped perilenediimides for null-type supramolecular polymer formation	72
The organophosphorus synthesis triangle: introducing methods for the missing quaternization and de-quaternization routes	72
De novo synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular SNAr reaction	71
A pair of conjoined trinuclear sub-frameworks in a pentanuclear double-cavity discrete coordination cage	71
Identification of allosteric sites and ligand-induced modulation in the dopamine receptor through large-scale alchemical mutation scan	71
A free boratriptycene-type Lewis superacid	71
In situ modification of the d-band in the core–shell structure for efficient hydrogen storage via electrocatalytic N2 fixation	71
Highly efficient organic long persistent luminescence based on host–guest doping systems	70
Orbital electron delocalization of axial-coordinated modified FeN4 and structurally ordered PtFe intermetallic synergistically for efficient oxygen reduction reaction catalysis	70
Cold-catalytic antitumor immunity with pyroelectric black phosphorus nanosheets	70
Coexisting gases regulate the rates of water adsorption by a flexible one-dimensional coordination polymer	69

How do donor and acceptor substituents change the photophysical and photochemical behavior of dithienylethenes? The search for a water-soluble visible-light photoswitch	69
A reversible plasmonic nanoprobe for dynamic imaging of intracellular pH during endocytosis	69
pH jump kinetics in colliding microdroplets: accelerated synthesis of azamonardine from dopamine and resorcinol	69
Intramolecular photochemical [2 + 1]-cycloadditions of nucleophilic siloxy carbenes	69
Ni-catalyzed asymmetric hydrophosphinylation of conjugated enynes and mechanistic studies	68
Effect of cyclic topology versus linear terpolymers on antibacterial activity and biocompatibility: antimicrobial peptide avatars	68
Easy access to amphiphilic nitrogenous block copolymers via switchable catalysis	68
LnDOTA puppeteering: removing the water molecule and imposing tetragonal symmetry	68
Planar pentacoordinate s-block metals	68
Intramolecular CH⋯π attraction mediated conformational polymorphism of constrained helical peptides	67
Catalytic asymmetric hydrometallation of cyclobutenes with salicylaldehydes	67
Affinity-based protein profiling of MDM2 inhibitor Navtemadlin	67
Hydroalkylation of styrenes enabled by boryl radical mediated halogen atom transfer	67
Multifaceted nucleic acid probing with a rationally upgraded molecular rotor	67
Probing the water adsorption and stability under steam flow of Zr-based metal–organic frameworks using 91Zr solid-state NMR spectroscopy	67
Simulation of ultrafast transient absorption spectra of a perylene-based light harvesting antenna	67
Excitation generated preferential binding sites for ethane on porous carbon–copper porphyrin sorbents: ethane/ethylene adsorptive separation improved by light	67
Therapeutic efficacy of 211 At-radiolabeled 2,6-diisopropylphenyl azide in mouse models of human lung cancer	67
Dynamic handedness inversion of self-organized helical superstructures enabled by novel thermally stable light-driven chiral hydrazone switches	66
Molecular brush-based ultrathin polymer electrolytes with stable interfaces for high-voltage large-areal-capacity lithium metal batteries	66
A solid composite electrolyte based on three-dimensional structured zeolite networks for high-performance solid-state lithium metal batteries	66
“Dual lock-and-key” triggered and endoplasmic reticulum targeting nanophotosensitizers for activatable Type-I photodynamic and photothermal therapies	65
Rational design of circularly polarized luminescence active chiral metal–organic frameworks for logic devices	65
Unveiling upsurge of photogenerated ROS: control of intersystem crossing through tuning aggregation patterns	65
Engineering the solid electrolyte interphase for enhancing high-rate cycling and temperature adaptability of lithium-ion batteries	65
RGB tri-luminescence in organic–inorganic zirconium halide perovskites	65
HCl-mediated silylation of C–H bonds in (hetero)arenes with trialkylsilanes	64
A general strategy to the intracellular sensing of glycosidases using AIE-based glycoclusters	64
Deciphering the mechanism of hydrogen peroxide formation in ultrasound-mediated water-in-oil microdroplets	64
Influence of the Pt/ionomer/water interface on the oxygen reduction reaction: insights into the micro-three-phase interface	64
109Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials	64
Aminocatalytic enantioselective [2 + 2] cycloaddition of Bicyclo[1.1.0]butanes and α,β-unsaturated aldehydes	64
Enantioselective nickel-catalyzed Mizoroki–Heck cyclizations of amide electrophiles	63
On the use of real-world datasets for reaction yield prediction	63
Ultra-long cycle sodium ion batteries enabled by the glutaric anhydride additive	63
Development of 8–17 XNAzymes that are functional in cells	63
Revisiting the reaction pathways for phospholipid hydrolysis catalyzed by phospholipase A2 with QM/MM methods	63
(3 + 2)-Cycloaddition of bicyclobutanes and thioketones: access to 2-thiabicyclo[2.1.1]hexanes without the use of catalysts or light	63
Inter-layer magnetic tuning by gas adsorption in π-stacked pillared-layer framework magnets	62
Guiding catalytic CO 2 reduction to ethanol with copper grain boundaries	62
Beyond chemical structures: lessons and guiding principles for the next generation of molecular databases	62
Competing dynamics of intramolecular deactivation and bimolecular charge transfer processes in luminescent Fe(iii) N-heterocyclic carbene complexes	62
Molecular engineering of 1D conjugated copper anilate coordination polymers for boosting electrocatalytic nitrate reduction to ammonia	62
Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media	62
Bromine radical release from a nickel-complex facilitates the activation of alkyl boronic acids: a boron selective Suzuki–Miyaura cross coupling	61
Spin polarized electron dynamics enhance water splitting efficiency by yttrium iron garnet photoanodes: a new platform for spin selective photocatalysis	61
Modulatory spin-flip of triplet excitons via diversiform electron-donating units for MR-TADF emitters towards solution-processed narrowband OLEDs	61
A biocompatible hydrogel as a template for oxidative decomposition reactions: a chemodosimetric analysis and in vitro imaging of hypochlorite	61
Catalysis of a LiF-rich SEI by aromatic structure modified porous polyamine for stable all-solid-state lithium metal batteries	61
Structure–function relationships in pure archaeal bipolar tetraether lipids	61
A photoinduced transient activating strategy for late-stage chemoselective C(sp3)–H trifluoromethylation of azines	60
Origin of low melting point of ionic liquids: dominant role of entropy	60
Augmenting genetic algorithms with machine learning for inverse molecular design	60
“Mn-locking” effect by anionic coordination manipulation stabilizing Mn-rich phosphate cathodes	59
Sodium-based Donor-Acceptor Assemblies Featuring Thermally Activated Delayed Fluorescence Enabled by Highly Efficient Through-Space Charge Transfer	59
Ambipolar conjugated ladder polymers by room-temperature Knoevenagel polymerization	59
Unified ionic and radical C-4 alkylation and arylation of pyridines	59
Electrochemical hydrogenative coupling of nitrobenzene into azobenzene over a mesoporous palladium–sulfur cathode	59
Luminescent carbene–copper(i)–amide polymers for efficient host-free solution-processed OLEDs	59
An AND-gate bioluminescent probe for precise tumor imaging	59
Strain-enabled radical spirocyclization cascades: rapid access to spirocyclobutyl lactones and – lactams	58
Biosynthesis of pleuromutilin congeners using an Aspergillus oryzae expression platform	58
Two-sided asymmetric nanofluidic membrane for enhanced ion transport and osmotic energy harvesting	58
Photochemical synthesis of carbazole-fused Blatter radicals: effective spin injection to the carbazole system	58
Mori generalized master equations offer an efficient route to predict and interpret polaron transport	58
Spectroscopic application of few-femtosecond deep-ultraviolet laser pulses from resonant dispersive wave emission in a hollow capillary fibre	58
Double coordination shell modulation of nitrogen-free atomic manganese sites for enhancing oxygen reduction performance	58
Inside front cover	57
Sequence-dependent conformational transitions of disordered proteins during condensation	57
Front cover	57
Contents list	57
Strategic design of Fe and N co-doped hierarchically porous carbon as superior ORR catalyst: from the perspective of nanoarchitectonics	57
Correction: Ion pair extractant selective for LiCl and LiBr	57
Self-sensitized Cu(ii)-complex catalyzed solar driven CO2 reduction	57
Decoupled tin–silver batteries with long cycle life and power output stability based on dendrite-free tin anode and halide insertion cathode chemistry	56
Visible light-induced Mallory reaction of tertiary benzanilides via iminium intermediates	56
A focus on computer vision for non-contact monitoring of catalyst degradation and product formation kinetics	56
Inside front cover	56
Correlation-driven charge migration triggered by infrared multi-photon ionization	56
Front cover	56
Correction: Cationic pillar[6]arene/ATP host–guest recognition: selectivity, inhibition of ATP hydrolysis, and application in multidrug resistance treatment	56
Experiment-guided molecular simulations define a heterogeneous structural ensemble for the PTPN11 tandem SH2 domains	55
A carbon-based bifunctional heterogeneous enzyme: toward sustainable pollution control	55
Inside back cover	55
Correction: A comprehensive approach for elucidating the interplay between 4fn+1 and 4fn5d1 configurations in Ln2+ complexes	55
Decoding the role of mycobacterial lipid remodelling and membrane dynamics in antibiotic tolerance	55
Unraveling disorder-to-order transitions and chemical ordering in PtCoM ternary alloys using machine learning potential	55
Front cover	55
Back cover	55
Methyl scanning approach for enhancing the biological activity of the linear peptidic natural product, efrapeptin C	55
Dichlorine–pyridine N-oxide halogen-bonded complexes	55
Deducing the conformational space for an octa-proline helix	55
Hydrogen atom abstraction as a synthetic route to a square planar CoII complex with a redox-active tetradentate PNNP ligand	55
Long-range hydrogen-bond relay catalyses the excited-state proton transfer reaction	55
Back cover	54