Communications Chemistry

Article	Citations
Data-science driven autonomous process optimization	113
Carbon mineralization pathways for carbon capture, storage and utilization	100
Mechanochemical synthesis of metal oxide nanoparticles	89
The continuum of carbon–hydrogen (C–H) activation mechanisms and terminology	87
Bicyclobutanes as unusual building blocks for complexity generation in organic synthesis	83
Double boron-embedded multiresonant thermally activated delayed fluorescent materials for organic light-emitting diodes	76
Understanding the ZIF-L to ZIF-8 transformation from fundamentals to fully costed kilogram-scale production	73
Solar-to-hydrogen peroxide energy conversion on resorcinol–formaldehyde resin photocatalysts prepared by acid-catalysed polycondensation	72
Three-body aggregation of guest molecules as a key step in methane hydrate nucleation and growth	72
Chemical communication at the synthetic cell/living cell interface	71
Physical properties of porphyrin-based crystalline metal‒organic frameworks	67
Acid anion electrolyte effects on platinum for oxygen and hydrogen electrocatalysis	63
Accurate absolute free energies for ligand–protein binding based on non-equilibrium approaches	59
Design, synthesis and applications of responsive macrocycles	55
Comprehensive understanding of multiple resonance thermally activated delayed fluorescence through quantum chemistry calculations	51
A BaTiO3/WS2 composite for piezo-photocatalytic persulfate activation and ofloxacin degradation	50
Efficient electrocatalytic nitrogen reduction to ammonia with aqueous silver nanodots	48
Status report on the quantum chemical cluster approach for modeling enzyme reactions	48
Real-time observation of a correlation-driven sub 3 fs charge migration in ionised adenine	45
Open questions in low oxidation state group 2 chemistry	45
Detection of the UV-vis silent biomarker trimethylamine-N-oxide via outer-sphere interactions in a lanthanide metal-organic framework	45
Multi-responsive chitosan-based hydrogels for controlled release of vincristine	44
A diffusion anisotropy descriptor links morphology effects of H-ZSM-5 zeolites to their catalytic cracking performance	43
Ammonia-fed reversible protonic ceramic fuel cells with Ru-based catalyst	41
Efficient alkane oxidation under combustion engine and atmospheric conditions	41

Deciphering the unusual fluorescence in weakly coupled bis-nitro-pyrrolo[3,2-b]pyrroles	41
Open questions on the transition between nanoscale and bulk properties of metals	40
Open questions on the photophysics of thermally activated delayed fluorescence	40
Highly efficient and selective electrocatalytic hydrogen peroxide production on Co-O-C active centers on graphene oxide	38
Surface states of dual-atom catalysts should be considered for analysis of electrocatalytic activity	38
A platinum(IV) prodrug strategy to overcome glutathione-based oxaliplatin resistance	37
Surprisingly long lifetime of methacrolein oxide, an isoprene derived Criegee intermediate, under humid conditions	37
Surfactant-free production of biomimetic giant unilamellar vesicles using PDMS-based microfluidics	37
Single electron transfer-based peptide/protein bioconjugations driven by biocompatible energy input	36
A dissymmetric [Gd2] coordination molecular dimer hosting six addressable spin qubits	36
Templated interfacial synthesis of metal-organic framework (MOF) nano- and micro-structures with precisely controlled shapes and sizes	36
Scanning electrochemical microscopy screening of CO2 electroreduction activities and product selectivities of catalyst arrays	34
Search for a Grotthuss mechanism through the observation of proton transfer	34
Halogen–sodium exchange enables efficient access to organosodium compounds	34
Non-aqueous, zwitterionic solvent as an alternative for dimethyl sulfoxide in the life sciences	33
Open questions on the reactivity of Criegee intermediates	33
Core-shell structure of LiMn2O4 cathode material reduces phase transition and Mn dissolution in Li-ion batteries	33
One-pot catalytic synthesis of urea derivatives from alkyl ammonium carbamates using low concentrations of CO2	32
Hierarchical Molecular Graph Self-Supervised Learning for property prediction	32
Curvature and self-assembly of semi-conducting nanoplatelets	32
Evolution of porous materials from ancient remedies to modern frameworks	31
Rich polymorphism in nicotinamide revealed by melt crystallization and crystal structure prediction	31
Photogenerated hole traps in metal-organic-framework photocatalysts for visible-light-driven hydrogen evolution	31
Exploring the octanol–water partition coefficient dataset using deep learning techniques and data augmentation	30
Spatial and temporal scales of variability for indoor air constituents	30
Switching polymorph stabilities with impurities provides a thermodynamic route to benzamide form III	30
Discrimination between human and animal blood by attenuated total reflection Fourier transform-infrared spectroscopy	30
Screening of small molecules using the inhibition of oligomer formation in α-synuclein aggregation as a selection parameter	30
Rotaxane rings promote oblique packing and extended lifetimes in DNA-templated molecular dye aggregates	29
Computational methods to simulate molten salt thermophysical properties	29
Ancestral L-amino acid oxidases for deracemization and stereoinversion of amino acids	28
Diselenide crosslinks for enhanced and simplified oxidative protein folding	28
Structural identification of N-glycan isomers using logically derived sequence tandem mass spectrometry	27
Generative and reinforcement learning approaches for the automated de novo design of bioactive compounds	27
A sustainable synthesis of the SARS-CoV-2 Mpro inhibitor nirmatrelvir, the active ingredient in Paxlovid	27
Open questions on liquid–liquid phase separation	26
Synthesis of endohedral fullerenes by molecular surgery	26
Thioester synthesis through geoelectrochemical CO2 fixation on Ni sulfides	26
Stabilization of gamma sulfur at room temperature to enable the use of carbonate electrolyte in Li-S batteries	26
Stepwise introduction of three different transition metals in metallo-supramolecular polymer for quad-color electrochromism	25
Elemental composition control of gold-titania nanocomposites by site-specific mineralization using artificial peptides and DNA	25
Systematic screening of gas diffusion layers for high performance CO2 electrolysis	25
Mechanochemistry of phosphate esters confined between sliding iron surfaces	25
Hand-portable HPLC with broadband spectral detection enables analysis of complex polycyclic aromatic hydrocarbon mixtures	25
Organophotocatalytic dearomatization of indoles, pyrroles and benzo(thio)furans via a Giese-type transformation	25
Atomically precise copper dopants in metal clusters boost up stability, fluorescence, and photocatalytic activity	24
Advances and challenges of aluminum–sulfur batteries	24
Asymmetric C(sp3)–H functionalization of unactivated alkylarenes such as toluene enabled by chiral Brønsted base catalysts	24
Untargeted high-resolution paired mass distance data mining for retrieving general chemical relationships	24
Charge guides pathway selection in β-sheet fibrillizing peptide co-assembly	24

Dissipation-driven selection of states in non-equilibrium chemical networks	24
Incorporation of tetracarboxylate ions into octacalcium phosphate for the development of next-generation biofriendly materials	24
Temperature dependence of adsorption hysteresis in flexible metal organic frameworks	24
Phase transition mechanism and bandgap engineering of Sb2S3 at gigapascal pressures	23
Intermetallic PdZn nanoparticles catalyze the continuous-flow hydrogenation of alkynols to cis-enols	23
Interactions between atomically dispersed copper and phosphorous species are key for the hydrochlorination of acetylene	23
Open questions on aromaticity in organometallics	22
Conformer-dependent vacuum ultraviolet photodynamics and chiral asymmetries in pure enantiomers of gas phase proline	22
Multimode polariton effects on molecular energy transport and spectral fluctuations	22
Evaluation of 3′-phosphate as a transient protecting group for controlled enzymatic synthesis of DNA and XNA oligonucleotides	22
Evaluating the use of absolute binding free energy in the fragment optimisation process	22
Protein nanofibril design via manipulation of hydrogen bonds	22
Computational screening methodology identifies effective solvents for CO2 capture	22
Pharmacophoric-constrained heterogeneous graph transformer model for molecular property prediction	22
Hydrogenation of benzoic acid derivatives over Pt/TiO2 under mild conditions	22
A cosolvent surfactant mechanism affects polymer collapse in miscible good solvents	21
An archaeal lid-containing feruloyl esterase degrades polyethylene terephthalate	21
Reaction-diffusion hydrogels from urease enzyme particles for patterned coatings	21
Thiazol-2-ylidenes as N-Heterocyclic carbene ligands with enhanced electrophilicity for transition metal catalysis	20
Hydrolysis of doped conducting polymers	20
Diversity-oriented synthesis of glycomimetics	20
Open questions on the environmental chemistry of radionuclides	20
Structural characterisation of molecular conformation and the incorporation of adatoms in an on-surface Ullmann-type reaction	20
Open questions on bonding involving lanthanide atoms	20
Metabolic contrast agents produced from transported solid 13C-glucose hyperpolarized via dynamic nuclear polarization	20
Flow parallel synthesizer for multiplex synthesis of aryl diazonium libraries via efficient parameter screening	20
Prediction of heptagonal bipyramidal nonacoordination in highly viable [OB-M©B7O7-BO]− (M = Fe, Ru, Os) complexes	19
Discovering and harnessing oxidative enzymes for chemoenzymatic synthesis and diversification of anticancer camptothecin analogues	19
Ab initio thermodynamics reveals the nanocomposite structure of ferrihydrite	19
Open questions in attochemistry	19
Site-specific interrogation of an ionic chiral fragment during photolysis using an X-ray free-electron laser	19
The carbonization of aromatic molecules with three-dimensional structures affords carbon materials with controlled pore sizes at the Ångstrom-level	19
Classifying soft self-assembled materials via unsupervised machine learning of defects	19
Machine learning for laser-induced electron diffraction imaging of molecular structures	19
Characterization of the cholangiocarcinoma drug pemigatinib against FGFR gatekeeper mutants	18
Biosourced quinones for high-performance environmentally benign electrochemical capacitors via interface engineering	18
Graphene oxide and starch gel as a hybrid binder for environmentally friendly high-performance supercapacitors	18
The electric double layer effect and its strong suppression at Li+ solid electrolyte/hydrogenated diamond interfaces	18
Directly imaging emergence of phase separation in peroxidized lipid membranes	18
Molecular dynamics simulations of the evaporation of hydrated ions from aqueous solution	18
Formation of H3+ from ethane dication induced by electron impact	18
Water-powered self-propelled magnetic nanobot for rapid and highly efficient capture of circulating tumor cells	18
Exploring the roles of oxygen species in H2 oxidation at β-MnO2 surfaces using operando DRIFTS-MS	18
Organocatalytic atroposelective heterocycloaddition to access axially chiral 2-arylquinolines	18
Site-selected thionated benzothioxanthene chromophores as heavy-atom-free small-molecule photosensitizers for photodynamic therapy	17
Probing active sites for carbon oxides hydrogenation on Cu/TiO2 using infrared spectroscopy	17
Bayesian optimization-driven parallel-screening of multiple parameters for the flow synthesis of biaryl compounds	17
A multicolor and ratiometric fluorescent sensing platform for metal ions based on arene–metal-ion contact	17
Ultrafast transient infrared spectroscopy for probing trapping states in hybrid perovskite films	17
Open questions on methane hydrate nucleation	17
Sample illumination device facilitates in situ light-coupled NMR spectroscopy without fibre optics	17
Crystalline hydrogen bonding of water molecules confined in a metal-organic framework	17
Dependency of solvation effects on metal identity in surface reactions	17
Functionalized Au15 nanoclusters as luminescent probes for protein carbonylation detection	17
The maximal and current accuracy of rigorous protein-ligand binding free energy calculations	17
Open questions on water confined in nanoporous materials	17
The ability of trimethylamine N-oxide to resist pressure induced perturbations to water structure	17
Acid is a potential interferent in fluorescent sensing of chemical warfare agent vapors	16
Encapsulation within a coordination cage modulates the reactivity of redox-active dyes	16
In situ grown oxygen-vacancy-rich copper oxide nanosheets on a copper foam electrode afford the selective oxidation of alcohols to value-added chemicals	16
Open questions on carbon-based molecules in space	16
Structure and thermodynamics of water adsorption in NU-1500-Cr	16
Synthetic zwitterions as efficient non-permeable cryoprotectants	16
Quasi-continuous production of highly hyperpolarized carbon-13 contrast agents every 15 seconds within an MRI system	15
Universal and efficient extraction of lithium for lithium-ion battery recycling using mechanochemistry	15
Artificial intelligence-driven design of fuel mixtures	15
Operando analysis of electronic band structure in an all-solid-state thin-film battery	15
Surface engineering of zinc phthalocyanine organic thin-film transistors results in part-per-billion sensitivity towards cannabinoid vapor	15
Peptide transporter structure reveals binding and action mechanism of a potent PEPT1 and PEPT2 inhibitor	15
Understanding the role of imidazolium-based ionic liquids in the electrochemical CO2 reduction reaction	15
Actinomycetes-derived imine reductases with a preference towards bulky amine substrates	15
N-Heterocyclic carbene-catalyzed enantioselective hetero-[10 + 2] annulation	15
In situ monitoring of the influence of water on DNA radiation damage by near-ambient pressure X-ray photoelectron spectroscopy	15
A cascade double 1,4-addition/intramolecular annulation strategy for expeditious assembly of unsymmetrical dibenzofurans	15
Electrochemical synthesis of heterodehydro[7]helicenes	15
Acylation of agricultural protein biomass yields biodegradable superabsorbent plastics	15
In situ analysis of the bulk and surface chemical compositions of organic aerosol particles	15
Sulfonated tryptanthrin anolyte increases performance in pH neutral aqueous redox flow batteries	14
De novo biosynthesis of berberine and halogenated benzylisoquinoline alkaloids in Saccharomyces cerevisiae	14
Efficient capture and storage of ammonia in robust aluminium-based metal-organic frameworks	14

Universal kinetics of imperfect reactions in confinement	14
Two energy barriers and a transient intermediate state determine the unfolding and folding dynamics of cold shock protein	14
Uranium carbonate complexes demonstrate drastic decrease in stability at elevated temperatures	14
A localized view on molecular dissociation via electron-ion partial covariance	14
Integration of experimental data and use of automated fitting methods in developing protein force fields	14
Comparing infrared spectroscopic methods for the characterization of Plasmodium falciparum-infected human erythrocytes	14
Reading mixtures of uniform sequence-defined macromolecules to increase data storage capacity	14
Regulating photosalient behavior in dynamic metal-organic crystals	14
Global analysis of the energy landscapes of molecular crystal structures by applying the threshold algorithm	14
Main group carbonyl complexes	14
Pyrazinacenes exhibit on-surface oxidation-state-dependent conformational and self-assembly behaviours	14
Superelasticity of a photo-actuating chiral salicylideneamine crystal	14
Role of the voltage window on the capacity retention of P2-Na2/3[Fe1/2Mn1/2]O2 cathode material for rechargeable sodium-ion batteries	13
A simple hydrogel device with flow-through channels to maintain dissipative non-equilibrium phenomena	13
Local structure and distortions of mixed methane-carbon dioxide hydrates	13
Photoelectrocatalytic hydrogen generation coupled with reforming of glucose into valuable chemicals using a nanostructured WO3 photoanode	13
Multivariate effects of pH, salt, and Zn2+ ions on Aβ40 fibrillation	13
Mass action model of solution activity via speciation by solvation and ion pairing equilibria	13
Depolymerization of robust polyetheretherketone to regenerate monomer units using sulfur reagents	13
Open questions on the photophysics of ultrafast singlet fission	13
Discovery, total syntheses and potent anti-inflammatory activity of pyrrolinone-fused benzoazepine alkaloids Asperazepanones A and B from Aspergillus candidus	13
Chiroptical activity of hydroxycarboxylic acids with implications for the origin of biological homochirality	13
Effects of ligand tuning and core doping of atomically precise copper nanoclusters on CO2 electroreduction selectivity	13
A triple farnesoid X receptor and peroxisome proliferator-activated receptor α/δ activator reverses hepatic fibrosis in diet-induced NASH in mice	13
One-step direct oxidation of fullerene-fused alkoxy ethers to ketones for evaporable fullerene derivatives	13
Measurement of charges and chemical bonding in a cryo-EM structure	13
High sensitivity analysis of nanogram quantities of glycosaminoglycans using ToF-SIMS	13
Highly congested spiro-compounds via photoredox-mediated dearomative annulation cascade	13
Hyperpolarized 15N-labeled, deuterated tris(2-pyridylmethyl)amine as an MRI sensor of freely available Zn2+	13
Nanohybrids of atomically precise metal nanoclusters	13
Open questions on proteins interacting with nanoclusters	13
Engineering gold-platinum core-shell nanoparticles by self-limitation in solution	13
Recent advances in enantioselective ring-opening polymerization and copolymerization	13
Defect-induced tuning of polarity-dependent adsorption in hydrophobic–hydrophilic UiO-66	13
Designing narcissistic self-sorting terpyridine moieties with high coordination selectivity for complex metallo-supramolecules	12
Infrared characterization of formation and resonance stabilization of the Criegee intermediate methyl vinyl ketone oxide	12
Microscopic origins of conductivity in molten salts unraveled by computer simulations	12
Carbon dioxide and nitrate co-electroreduction to urea on CuOxZnOy	12
A genetically encoded BRET-based SARS-CoV-2 Mpro protease activity sensor	12
Hydroquinone redox mediator enhances the photovoltaic performances of chlorophyll-based bio-inspired solar cells	12
Critical impacts of interfacial water on C–H activation in photocatalytic methane conversion	12
G2Retro as a two-step graph generative models for retrosynthesis prediction	12
Design of an open-shell nitrogen-centered diradicaloid with tunable stimuli-responsive electronic properties	12
In situ micropillar compression of an anisotropic metal-organic framework single crystal	12
Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors	12
The ubiquitous catechol moiety elicits siderophore and angucycline production in Streptomyces	12
The folding propensity of α/sulfono-γ-AA peptidic foldamers with both left- and right-handedness	12
Direct structure determination of vemurafenib polymorphism from compact spherulites using 3D electron diffraction	12
Structure-based design of a dual-warhead covalent inhibitor of FGFR4	12
Structural determination of an antibody that specifically recognizes polyethylene glycol with a terminal methoxy group	12
Control of nuclear dynamics in the benzene cation by electronic wavepacket composition	12
Single step syntheses of (1S)-aryl-tetrahydroisoquinolines by norcoclaurine synthases	11
Alkanes increase the stability of early life membrane models under extreme pressure and temperature conditions	11
Open questions in understanding life’s origins	11
Using genetic algorithms to systematically improve the synthesis conditions of Al-PMOF	11
Intrastrand backbone-nucleobase interactions stabilize unwound right-handed helical structures of heteroduplexes of L-aTNA/RNA and SNA/RNA	11
Autonomous design of new chemical reactions using a variational autoencoder	11
Carbon dioxide adsorption and conversion to methane and ethane on hydrogen boride sheets	11
Open questions on transition metals driving secondary thermal processes in atmospheric aerosols	11
A solvent-free solid catalyst for the selective and color-indicating ambient-air removal of sulfur mustard	11
Chemodivergent assembly of ortho-functionalized phenols with tunable selectivity via rhodium(III)-catalyzed and solvent-controlled C-H activation	11
Photochemically induced cyclic morphological dynamics via degradation of autonomously produced, self-assembled polymer vesicles	11
Mapping nanocrystalline disorder within an amorphous metal–organic framework	11
Thermal synthesis of conversion-type bismuth fluoride cathodes for high-energy-density Li-ion batteries	11
Diels–Alder reactions and electrophilic substitutions with atypical regioselectivity enable functionalization of terminal rings of anthracene	11
Membrane electrode assembly design to prevent CO2 crossover in CO2 reduction reaction electrolysis	11
Dual nature of magnetic nanoparticle dispersions enables control over short-range attraction and long-range repulsion interactions	11
Converting histidine-induced 3D protein arrays in crystals into their 3D analogues in solution by metal coordination cross-linking	10
Structure determination of a low-crystallinity covalent organic framework by three-dimensional electron diffraction	10
Retrosynthetic planning with experience-guided Monte Carlo tree search	10
Spectroscopic characterization of two peroxyl radicals during the O2-oxidation of the methylthio radical	10
Novel fidaxomicin antibiotics through site-selective catalysis	10
Residue-resolved monitoring of protein hyperpolarization at sub-second time resolution	10
Verification of preparations of (1H-indol-3-yl)methyl electrophiles and development of their microflow rapid generation and substitution	10
Controlled self-assembly of chemical gardens enables fabrication of heterogeneous chemobrionic materials	10
Targeting undruggable carbohydrate recognition sites through focused fragment library design	10
One-step direct conversion of methane to methanol with water in non-thermal plasma	10
Adiabatic state preparation of correlated wave functions with nonlinear scheduling functions and broken-symmetry wave functions	10
Through-container quantitative analysis of hand sanitizers using spatially offset Raman spectroscopy	10
Pillar[6]arene acts as a biosensor for quantitative detection of a vitamin metabolite in crude biological samples	10
Ultrafast excited state dynamics and light-switching of [Ru(phen)2(dppz)]2+ in G-quadruplex DNA	10
A facile alternative strategy of upcycling mixed plastic waste into vitrimers	10
Chemical shielding of H2O and HF encapsulated inside a C60 cage	10
Materials discovery of ion-selective membranes using artificial intelligence	10
Electropolymerization without an electric power supply	10
Landomycins as glutathione-depleting agents and natural fluorescent probes for cellular Michael adduct-dependent quinone metabolism	10
Proton transfer during DNA strand separation as a source of mutagenic guanine-cytosine tautomers	10
A chemical link between methylamine and methylene imine and implications for interstellar glycine formation	10
Approaching isotropic charge transport of n-type organic semiconductors with bulky substituents	10
Surface modifications of eight-electron palladium silver superatomic alloys	10
Functional characterization and structural bases of two class I diterpene synthases in pimarane-type diterpene biosynthesis	10
Photoluminescence of the Au38(SR)26 nanocluster comprises three radiative processes	10
Radical hydrodifluoromethylation of unsaturated C−C bonds via an electroreductively triggered two-pronged approach	10
Elucidating the polycyclic aromatic hydrocarbons involved in soot inception	10