Communications Chemistry

Article	Citations
Non-bonded force field model with advanced restrained electrostatic potential charges (RESP2)	101
Dehydration entropy drives liquid-liquid phase separation by molecular crowding	97
Data-science driven autonomous process optimization	96
Open questions in organic crystal polymorphism	77
The continuum of carbon–hydrogen (C–H) activation mechanisms and terminology	69
Carbon mineralization pathways for carbon capture, storage and utilization	69
Size dependency of gold nanoparticles interacting with model membranes	65
Mechanochemical synthesis of metal oxide nanoparticles	63
Physical properties of porphyrin-based crystalline metal‒organic frameworks	58
Three-body aggregation of guest molecules as a key step in methane hydrate nucleation and growth	58
Double boron-embedded multiresonant thermally activated delayed fluorescent materials for organic light-emitting diodes	58
Bulk and local structures of metal–organic frameworks unravelled by high-resolution electron microscopy	57
Revealing the complexity of ionic liquid–protein interactions through a multi-technique investigation	57
Chemical communication at the synthetic cell/living cell interface	55
Solar-to-hydrogen peroxide energy conversion on resorcinol–formaldehyde resin photocatalysts prepared by acid-catalysed polycondensation	55
Open questions on the biological roles of first-row transition metals	52
Accurate absolute free energies for ligand–protein binding based on non-equilibrium approaches	52
Acid anion electrolyte effects on platinum for oxygen and hydrogen electrocatalysis	51
Nickel-catalyzed enantioselective reductive carbo-acylation of alkenes	49
Understanding the ZIF-L to ZIF-8 transformation from fundamentals to fully costed kilogram-scale production	47
Aluminum electrolytes for Al dual-ion batteries	47
Mineral-mediated carbohydrate synthesis by mechanical forces in a primordial geochemical setting	46
Design, synthesis and applications of responsive macrocycles	46
Chiral lanthanide lumino-glass for a circularly polarized light security device	45
Bicyclobutanes as unusual building blocks for complexity generation in organic synthesis	44

Enhancing catalytic performance of dilute metal alloy nanomaterials	42
Status report on the quantum chemical cluster approach for modeling enzyme reactions	41
Effect of intramolecular hydrogen-bond formation on the molecular conformation of amino acids	41
Real-time observation of a correlation-driven sub 3 fs charge migration in ionised adenine	40
Structure of an anti-PEG antibody reveals an open ring that captures highly flexible PEG polymers	40
A BaTiO3/WS2 composite for piezo-photocatalytic persulfate activation and ofloxacin degradation	40
Extended experimental inferential structure determination method in determining the structural ensembles of disordered protein states	38
Deciphering the unusual fluorescence in weakly coupled bis-nitro-pyrrolo[3,2-b]pyrroles	37
Atomically dispersed palladium catalyses Suzuki–Miyaura reactions under phosphine-free conditions	37
Navigating the DNA encoded libraries chemical space	37
Open questions in low oxidation state group 2 chemistry	36
Rechargeable proton exchange membrane fuel cell containing an intrinsic hydrogen storage polymer	36
Efficient electrocatalytic nitrogen reduction to ammonia with aqueous silver nanodots	36
Detection of the UV-vis silent biomarker trimethylamine-N-oxide via outer-sphere interactions in a lanthanide metal-organic framework	35
Comprehensive understanding of multiple resonance thermally activated delayed fluorescence through quantum chemistry calculations	35
Highly efficient and selective electrocatalytic hydrogen peroxide production on Co-O-C active centers on graphene oxide	34
Efficient alkane oxidation under combustion engine and atmospheric conditions	34
A diffusion anisotropy descriptor links morphology effects of H-ZSM-5 zeolites to their catalytic cracking performance	34
Single electron transfer-based peptide/protein bioconjugations driven by biocompatible energy input	33
Evidence on the formation of dimers of polycyclic aromatic hydrocarbons in a laminar diffusion flame	33
Surprisingly long lifetime of methacrolein oxide, an isoprene derived Criegee intermediate, under humid conditions	33
Time-resolving the ultrafast H2 roaming chemistry and H3+ formation using extreme-ultraviolet pulses	33
Mechanistic and microkinetic study of non-oxidative methane coupling on a single-atom iron catalyst	32
Open questions on the photophysics of thermally activated delayed fluorescence	32
Surfactant-free production of biomimetic giant unilamellar vesicles using PDMS-based microfluidics	31
Hyperpolarized water through dissolution dynamic nuclear polarization with UV-generated radicals	30
Multi-scale quantification and modeling of aged nanostructured silicon-based composite anodes	30
Open questions on the transition between nanoscale and bulk properties of metals	30
A platinum(IV) prodrug strategy to overcome glutathione-based oxaliplatin resistance	30
A dissymmetric [Gd2] coordination molecular dimer hosting six addressable spin qubits	30
Halogen–sodium exchange enables efficient access to organosodium compounds	30
Non-aqueous, zwitterionic solvent as an alternative for dimethyl sulfoxide in the life sciences	30
Surface states of dual-atom catalysts should be considered for analysis of electrocatalytic activity	29
Rich polymorphism in nicotinamide revealed by melt crystallization and crystal structure prediction	29
The orphan nuclear receptor Nurr1 is responsive to non-steroidal anti-inflammatory drugs	29
Open questions on the reactivity of Criegee intermediates	29
Curvature and self-assembly of semi-conducting nanoplatelets	29
Templated interfacial synthesis of metal-organic framework (MOF) nano- and micro-structures with precisely controlled shapes and sizes	29
Dual sequence definition increases the data storage capacity of sequence-defined macromolecules	28
Scanning electrochemical microscopy screening of CO2 electroreduction activities and product selectivities of catalyst arrays	28
Probing the temperature of supported platinum nanoparticles under microwave irradiation by in situ and operando XAFS	27
Photogenerated hole traps in metal-organic-framework photocatalysts for visible-light-driven hydrogen evolution	26
Rotaxane rings promote oblique packing and extended lifetimes in DNA-templated molecular dye aggregates	26
Direct identification of reaction sites on ferrihydrite	26
Screening of small molecules using the inhibition of oligomer formation in α-synuclein aggregation as a selection parameter	26
Enhanced CO evolution for photocatalytic conversion of CO2 by H2O over Ca modified Ga2O3	26
Spatial and temporal scales of variability for indoor air constituents	25
Phosphorylation regulates the binding of intrinsically disordered proteins via a flexible conformation selection mechanism	25
Quantification of amyloid fibril polymorphism by nano-morphometry reveals the individuality of filament assembly	25
Switching polymorph stabilities with impurities provides a thermodynamic route to benzamide form III	25

Discrimination between human and animal blood by attenuated total reflection Fourier transform-infrared spectroscopy	25
Evolution of porous materials from ancient remedies to modern frameworks	24
One-pot catalytic synthesis of urea derivatives from alkyl ammonium carbamates using low concentrations of CO2	24
Organophosphorus zwitterions engaged in a conjugated macrocycle on fullerene	24
Core-shell structure of LiMn2O4 cathode material reduces phase transition and Mn dissolution in Li-ion batteries	24
Ammonia-fed reversible protonic ceramic fuel cells with Ru-based catalyst	24
Thioester synthesis through geoelectrochemical CO2 fixation on Ni sulfides	24
N-Terminal selective modification of peptides and proteins using 2-ethynylbenzaldehydes	24
Multi-responsive chitosan-based hydrogels for controlled release of vincristine	24
Towards the catalytic activation of inert small molecules by main-group ambiphiles	23
Hydrogen release from a single water molecule on Vn+ (3 ≤ n ≤ 30)	23
Controlled hydrogenation into defective interlayer bismuth oxychloride via vacancy engineering	23
Polyphenol oxidases exhibit promiscuous proteolytic activity	23
Exploring the octanol–water partition coefficient dataset using deep learning techniques and data augmentation	22
Conformer-dependent vacuum ultraviolet photodynamics and chiral asymmetries in pure enantiomers of gas phase proline	22
Hand-portable HPLC with broadband spectral detection enables analysis of complex polycyclic aromatic hydrocarbon mixtures	22
Ancestral L-amino acid oxidases for deracemization and stereoinversion of amino acids	22
A sustainable synthesis of the SARS-CoV-2 Mpro inhibitor nirmatrelvir, the active ingredient in Paxlovid	22
General treatment for stereo-dynamics of state-to-state chemi-ionization reactions	22
Open questions on the physical properties of aerosols	22
Diselenide crosslinks for enhanced and simplified oxidative protein folding	22
Structural identification of N-glycan isomers using logically derived sequence tandem mass spectrometry	22
Developing scandium and yttrium coordination chemistry to advance theranostic radiopharmaceuticals	22
Zeolite-supported ultra-small nickel as catalyst for selective oxidation of methane to syngas	22
Nitrogen doping to atomically match reaction sites in microbial fuel cells	21
Open questions on aromaticity in organometallics	21
Temperature dependence of adsorption hysteresis in flexible metal organic frameworks	21
Photocatalytic radical defluoroalkylation of unactivated alkenes via distal heteroaryl ipso-migration	21
Elemental composition control of gold-titania nanocomposites by site-specific mineralization using artificial peptides and DNA	21
Mechanochemistry of phosphate esters confined between sliding iron surfaces	21
Stabilization of gamma sulfur at room temperature to enable the use of carbonate electrolyte in Li-S batteries	21
Synthesis of endohedral fullerenes by molecular surgery	21
Asymmetric C(sp3)–H functionalization of unactivated alkylarenes such as toluene enabled by chiral Brønsted base catalysts	20
Reaction-diffusion hydrogels from urease enzyme particles for patterned coatings	20
Dissipation-driven selection of states in non-equilibrium chemical networks	20
Hydrolysis of doped conducting polymers	20
Stepwise introduction of three different transition metals in metallo-supramolecular polymer for quad-color electrochromism	20
Evaluating inositol phospholipid interactions with inward rectifier potassium channels and characterising their role in disease	20
Interactions between atomically dispersed copper and phosphorous species are key for the hydrochlorination of acetylene	19
Hydrogenation of benzoic acid derivatives over Pt/TiO2 under mild conditions	19
Rapid access to discrete and monodisperse block co-oligomers from sugar and terpenoid toward ultrasmall periodic nanostructures	19
Open questions on the structures of crystalline water ices	19
Incorporation of tetracarboxylate ions into octacalcium phosphate for the development of next-generation biofriendly materials	19
Atomically precise copper dopants in metal clusters boost up stability, fluorescence, and photocatalytic activity	19
Three-dimensional covariance-map imaging of molecular structure and dynamics on the ultrafast timescale	19
Organophotocatalytic dearomatization of indoles, pyrroles and benzo(thio)furans via a Giese-type transformation	19
Open questions on liquid–liquid phase separation	18
Ab initio thermodynamics reveals the nanocomposite structure of ferrihydrite	18
Computational screening methodology identifies effective solvents for CO2 capture	18
pKa of the ligand water molecules in the oxygen-evolving Mn4CaO5 cluster in photosystem II	18
Open questions on the environmental chemistry of radionuclides	18
Untargeted high-resolution paired mass distance data mining for retrieving general chemical relationships	18
Site-specific interrogation of an ionic chiral fragment during photolysis using an X-ray free-electron laser	17
Amino acid dependent formaldehyde metabolism in mammals	17
Machine learning for laser-induced electron diffraction imaging of molecular structures	17
Computational methods to simulate molten salt thermophysical properties	17
Flow parallel synthesizer for multiplex synthesis of aryl diazonium libraries via efficient parameter screening	17
Thiazol-2-ylidenes as N-Heterocyclic carbene ligands with enhanced electrophilicity for transition metal catalysis	17
Visualization and quantitation of electronic communication pathways in a series of redox-active pillar[6]arene-based macrocycles	17
Metabolic contrast agents produced from transported solid 13C-glucose hyperpolarized via dynamic nuclear polarization	17
The carbonization of aromatic molecules with three-dimensional structures affords carbon materials with controlled pore sizes at the Ångstrom-level	17
Multimode polariton effects on molecular energy transport and spectral fluctuations	17
Diversity-oriented synthesis of glycomimetics	17
Intermetallic PdZn nanoparticles catalyze the continuous-flow hydrogenation of alkynols to cis-enols	17
Formation of H3+ from ethane dication induced by electron impact	17
Charge guides pathway selection in β-sheet fibrillizing peptide co-assembly	17
Structural characterisation of molecular conformation and the incorporation of adatoms in an on-surface Ullmann-type reaction	17
Evaluation of 3′-phosphate as a transient protecting group for controlled enzymatic synthesis of DNA and XNA oligonucleotides	16
Molecular design strategy of fluorogenic probes based on quantum chemical prediction of intramolecular spirocyclization	16
Hierarchical Molecular Graph Self-Supervised Learning for property prediction	16
Metallically gradated silicon nanowire and palladium nanoparticle composites as robust hydrogenation catalysts	16
Open questions on the chemical composition of airborne particles	16
Advances and challenges of aluminum–sulfur batteries	16
Functionalized Au15 nanoclusters as luminescent probes for protein carbonylation detection	16
Phase transition mechanism and bandgap engineering of Sb2S3 at gigapascal pressures	16
Graphene oxide and starch gel as a hybrid binder for environmentally friendly high-performance supercapacitors	16
Equilibrium and thermodynamic studies of chromic overcrowded fluorenylidene-acridanes with modified fluorene moieties	16
Quantifying the thermodynamics of protein unfolding using 2D NMR spectroscopy	15
Systematic screening of gas diffusion layers for high performance CO2 electrolysis	15
Protein nanofibril design via manipulation of hydrogen bonds	15

Open questions on water confined in nanoporous materials	15
A multicolor and ratiometric fluorescent sensing platform for metal ions based on arene–metal-ion contact	15
Formation mechanism of insensitive tellurium hexanitride with armchair-like cyclo-N6 anions	15
The electric double layer effect and its strong suppression at Li+ solid electrolyte/hydrogenated diamond interfaces	15
Quasi-continuous production of highly hyperpolarized carbon-13 contrast agents every 15 seconds within an MRI system	15
Open questions on methane hydrate nucleation	15
Water-powered self-propelled magnetic nanobot for rapid and highly efficient capture of circulating tumor cells	15
Exploring the roles of oxygen species in H2 oxidation at β-MnO2 surfaces using operando DRIFTS-MS	15
Acylation of agricultural protein biomass yields biodegradable superabsorbent plastics	15
Prediction of heptagonal bipyramidal nonacoordination in highly viable [OB-M©B7O7-BO]− (M = Fe, Ru, Os) complexes	15
Dependency of solvation effects on metal identity in surface reactions	15
A cosolvent surfactant mechanism affects polymer collapse in miscible good solvents	15
Open questions in chemical glycobiology	15
Unraveling the energetic significance of chemical events in enzyme catalysis via machine-learning based regression approach	15
Generative and reinforcement learning approaches for the automated de novo design of bioactive compounds	15
Molecular dynamics simulations of the evaporation of hydrated ions from aqueous solution	15
Search for a Grotthuss mechanism through the observation of proton transfer	15
Organocatalytic atroposelective heterocycloaddition to access axially chiral 2-arylquinolines	14
Ultrafast transient infrared spectroscopy for probing trapping states in hybrid perovskite films	14
A cascade double 1,4-addition/intramolecular annulation strategy for expeditious assembly of unsymmetrical dibenzofurans	14
A periodic dodecagonal supertiling by self-assembly of star-shaped molecules in the liquid crystalline state	14
N-Heterocyclic carbene-catalyzed enantioselective hetero-[10 + 2] annulation	14
Sigmoidally hydrochromic molecular porous crystal with rotatable dendrons	14
Discovering and harnessing oxidative enzymes for chemoenzymatic synthesis and diversification of anticancer camptothecin analogues	14
Synthesis, properties, and catalysis of p-block complexes supported by bis(arylimino)acenaphthene ligands	14
In situ monitoring of the influence of water on DNA radiation damage by near-ambient pressure X-ray photoelectron spectroscopy	13
Synthetic zwitterions as efficient non-permeable cryoprotectants	13
Open questions on atmospheric nanoparticle growth	13
Classifying soft self-assembled materials via unsupervised machine learning of defects	13
Secondary extended mannan side chains and attachment of the arabinan in mycobacterial lipoarabinomannan	13
Carbon dioxide adsorption in open nanospaces formed by overlap of saponite clay nanosheets	13
Mechanism of biomolecular recognition of trimethyllysine by the fluorinated aromatic cage of KDM5A PHD3 finger	13
High sensitivity analysis of nanogram quantities of glycosaminoglycans using ToF-SIMS	13
Superelasticity of a photo-actuating chiral salicylideneamine crystal	13
Encapsulation within a coordination cage modulates the reactivity of redox-active dyes	13
Programmed folding into spiro-multicyclic polymer topologies from linear and star-shaped chains	13
Mass action model of solution activity via speciation by solvation and ion pairing equilibria	13
The ability of trimethylamine N-oxide to resist pressure induced perturbations to water structure	13
Reading mixtures of uniform sequence-defined macromolecules to increase data storage capacity	13
Comparing infrared spectroscopic methods for the characterization of Plasmodium falciparum-infected human erythrocytes	13
Main group carbonyl complexes	12
One-step direct oxidation of fullerene-fused alkoxy ethers to ketones for evaporable fullerene derivatives	12
A triple farnesoid X receptor and peroxisome proliferator-activated receptor α/δ activator reverses hepatic fibrosis in diet-induced NASH in mice	12
The folding propensity of α/sulfono-γ-AA peptidic foldamers with both left- and right-handedness	12
Aluminium-induced component engineering of mesoporous composite materials for low-temperature NH3-SCR	12
Integration of experimental data and use of automated fitting methods in developing protein force fields	12
Effects of ligand tuning and core doping of atomically precise copper nanoclusters on CO2 electroreduction selectivity	12
A simple hydrogel device with flow-through channels to maintain dissipative non-equilibrium phenomena	12
Visible light mediated photocatalytic [2 + 2] cycloaddition/ring-opening rearomatization cascade of electron-deficient azaarenes and vinylarenes	12
Probing active sites for carbon oxides hydrogenation on Cu/TiO2 using infrared spectroscopy	12
Simultaneous determination of transient free radicals and reaction kinetics by high-resolution time-resolved dual-comb spectroscopy	12
Sample illumination device facilitates in situ light-coupled NMR spectroscopy without fibre optics	12
Pyrazinacenes exhibit on-surface oxidation-state-dependent conformational and self-assembly behaviours	12
In situ analysis of the bulk and surface chemical compositions of organic aerosol particles	12
Open questions on bonding involving lanthanide atoms	12
Infrared characterization of formation and resonance stabilization of the Criegee intermediate methyl vinyl ketone oxide	12
Biosourced quinones for high-performance environmentally benign electrochemical capacitors via interface engineering	12
Coagulation using organic carbonates opens up a sustainable route towards regenerated cellulose films	11
A small-molecule inhibitor of lectin-like oxidized LDL receptor-1 acts by stabilizing an inactive receptor tetramer state	11
Designing narcissistic self-sorting terpyridine moieties with high coordination selectivity for complex metallo-supramolecules	11
In situ grown oxygen-vacancy-rich copper oxide nanosheets on a copper foam electrode afford the selective oxidation of alcohols to value-added chemicals	11
Revealing structural evolution occurring from photo-initiated polymer network formation	11
Microscopic origins of conductivity in molten salts unraveled by computer simulations	11
Crystalline hydrogen bonding of water molecules confined in a metal-organic framework	11
Characterization of the cholangiocarcinoma drug pemigatinib against FGFR gatekeeper mutants	11
Sulfonated tryptanthrin anolyte increases performance in pH neutral aqueous redox flow batteries	11
Universal and efficient extraction of lithium for lithium-ion battery recycling using mechanochemistry	11
Assignment of protonated R-homocitrate in extracted FeMo-cofactor of nitrogenase via vibrational circular dichroism spectroscopy	11
Operando analysis of electronic band structure in an all-solid-state thin-film battery	11
Open questions on carbon-based molecules in space	11
Chiroptical activity of hydroxycarboxylic acids with implications for the origin of biological homochirality	11
Acid is a potential interferent in fluorescent sensing of chemical warfare agent vapors	11
Membrane protein mediated bilayer communication in networks of droplet interface bilayers	11
Evaluating the use of absolute binding free energy in the fragment optimisation process	11
Open questions on nonequilibrium thermodynamics of chemical reaction networks	11
Role of the voltage window on the capacity retention of P2-Na2/3[Fe1/2Mn1/2]O2 cathode material for rechargeable sodium-ion batteries	11
Internal water channel formation in CXCR4 is crucial for Gi-protein coupling upon activation by CXCL12	11
Control of nuclear dynamics in the benzene cation by electronic wavepacket composition	11
Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures	11