Communications Chemistry

Article	Citations
Celebrating 5 years of Communications Chemistry	198
Precursor-free synthesis of carbon quantum dots and carbon microparticles in supercritical acetone	137
Phosphinothio(seleno)ation of alkynes/olefins and application on the late-stage functionalization of natural products	126
Oxygen transfer reaction of haloalkyl amides catalyzed by phenylboronic acid	116
Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF3– complexes	113
Assignment of individual structures from intermetalloid nickel gallium cluster ensembles	102
Verification of preparations of (1H-indol-3-yl)methyl electrophiles and development of their microflow rapid generation and substitution	102
Proteome-wide non-cleavable crosslink identification with MS Annika 3.0 reveals the structure of the C. elegans Box C/D complex	94
Queer in Chem: Q&A with Professor Nancy Williams	89
Structure-based discovery of forsythoside A as an effective inhibitor to reduce the neurotoxicity of amyloid β	88
Phosphorylation of nucleosides by P-N bond species generated from prebiotic reduced phosphorus sources	87
Structural annotation of unknown molecules in a miniaturized mass spectrometer based on a transformer enabled fragment tree method	76
Spatiotemporal control of translation in live zebrafish embryos via photoprotected mRNAs	76
Electrochemical heteroarylation and amidation of alkanes using activated glassy carbon electrodes without mediators	73
Tuning the electronic states of Pd(II) defect-engineered metal-organic framework catalysts for efficient conversion of isocyanides	73
BioStruct-Africa’s capacity building workshops as a model for advancing the emerging community of structural biologists in Africa	70
Semi-synthesis of TDP-43 reveals the effects of phosphorylation in N-terminal domain on self-association	57
Release of nanodiscs from charged nano-droplets in the electrospray ionization revealed by molecular dynamics simulations	57
A rare peptide scaffold in kineomicins, the glycopeptide antibiotics produced by Actinokineospora auranticolor DSM 44650	55
Electrochemical carbonyl reduction on single-site M–N–C catalysts	54
Enabling systemic identification and functionality profiling for Cdc42 homeostatic modulators	53
Angular orientation between the cores of iron oxide nanoclusters controls their magneto–optical properties and magnetic heating functions	51
Bridging electron and nuclear motions in chemical reactions through electrostatic forces from reactive orbitals	47
In situ analysis of the bulk and surface chemical compositions of organic aerosol particles	47
The rise of data repositories in materials chemistry	46

Near-infrared hyperspectral imaging to map collagen content in prehistoric bones for radiocarbon dating	45
Chemical shielding of H2O and HF encapsulated inside a C60 cage	45
Encapsulation within a coordination cage modulates the reactivity of redox-active dyes	45
Appearance and suppression of Turing patterns under a periodically forced feed	43
Simulating the structural phase transitions of metal-organic frameworks with control over the volume of nanocrystallites	42
Photoluminescence of the Au38(SR)26 nanocluster comprises three radiative processes	40
Hot carriers from intra- and interband transitions in gold-silver alloy nanoparticles	40
Narrowing the gap between machine learning scoring functions and free energy perturbation using augmented data	39
Leveraging infrared spectroscopy for automated structure elucidation	39
Non-isocyanate polyurethanes synthesized from terpenes using thiourea organocatalysis and thiol-ene-chemistry	38
Simplifying glycan monitoring of complex antigens such as the SARS-CoV-2 spike to accelerate vaccine development	36
Multi-responsive chitosan-based hydrogels for controlled release of vincristine	36
An iridium(III) complex-based luminogenic probe for high-throughput screening of hydrogen sulfide donors in living cells	35
Enhanced enantioselectivity in halogen-bonding catalysis	35
Determining hexavalent chromium transport properties in alkaline nuclear waste using nuclear magnetic resonance spectroscopy	35
A recyclable stereoauxiliary aminocatalyzed strategy for one-pot synthesis of indolizine-2-carbaldehydes	34
Open questions on the transfer of chirality	34
Formation reaction mechanism and infrared spectra of anti-trans-methacrolein oxide and its associated precursor and adduct radicals	33
Cyanine dyes in the mitochondria-targeting photodynamic and photothermal therapy	33
Design of asymmetric electrolytes for aqueous zinc batteries	33
Highly efficient and selective electrocatalytic hydrogen peroxide production on Co-O-C active centers on graphene oxide	33
Species-specific lipophilicities of fluorinated diketones in complex equilibria systems and their potential as multifaceted reversible covalent warheads	33
Enhanced sensitivity to odors due to chemosignals associated with anxiety	32
Effects of multi-functional additives during foam extrusion of wheat gluten materials	32
One-dimensional CrI3 encapsulated within multi-walled carbon nanotubes	31
Short-lived calcium carbonate precursors observed in situ via Bullet-dynamic nuclear polarization	31
Genome mining for macrolactam-encoding gene clusters allowed for the network-guided isolation of β-amino acid-containing cyclic derivatives and heterologous production of ciromicin A	31
Standardizing critical current density measurements in lithium garnets	30
Enhanced interfacial water dissociation on a hydrated iron porphyrin single-atom catalyst in graphene	30
Ultrafast probing of isotope-induced explicit symmetry breaking in ethylene	30
Supercritical fluid chromatography-mass spectrometry enables simultaneous measurement of all phosphoinositide regioisomers	30
2022 Editors’ Highlights	30
DigFrag as a digital fragmentation method used for artificial intelligence-based drug design	30
Synthesis of ultra-high molecular weight homo- and copolymers via an ultrasonic emulsion process with a fast rate	30
Surface modifications of eight-electron palladium silver superatomic alloys	30
MS-RIDD paves the way toward routine double bond localization in mass spectrometry-based lipidomics	29
Variational autoencoder-based chemical latent space for large molecular structures with 3D complexity	29
Synthetic studies on the tetrasubstituted D-ring of cystobactamids lead to potent terephthalic acid antibiotics	29
Stereoselective polar radical crossover for the functionalization of strained-ring systems	29
A personal account of contributions to equity, diversity and inclusion within the Canadian chemistry community	28
Synthesis and structural analysis of dinucleotides containing 2′,3′-trans-bridged nucleic acids with trans-5,6- or 5,7-fused ring skeleton	28
Water-compatible dynamic covalent bonds based on a boroxine structure	28
Rational engineering of a thermostable α-oxoamine synthase biocatalyst expands the substrate scope and synthetic applicability	28
Deconstructing allostery by computational assessment of the binding determinants of allosteric PTP1B modulators	28
Synthesis and luminescence properties of substituted benzils	28
Queer in Chem: Q&A with Dr Camille Bishop	28
Role of formaldehyde in promoting aromatic selectivity during methanol conversion over gallium-modified zeolites	27
Engineering of acyl ligase domain in non-ribosomal peptide synthetases to change fatty acid moieties of lipopeptides	27
Transaminase-catalysis to produce trans-4-substituted cyclohexane-1-amines including a key intermediate towards cariprazine	27
Foldamers controlled by functional triamino acids: structural investigation of α/γ-hybrid oligopeptides	27

Design of linear and cyclic peptide binders from protein sequence information	27
Selective manipulation of L-cysteine crystal polymorphs using focused laser beams	27
A biomimetic phosphor that can build a rigid microenvironment for its long-lived afterglow in aqueous medium	26
Topologically-crosslinked hydrogels based on γ-cyclodextrins	26
Construction of poly-N-heterocyclic scaffolds via the controlled reactivity of Cu-allenylidene intermediates	26
Molecular optimization using a conditional transformer for reaction-aware compound exploration with reinforcement learning	26
Elastin-like polypeptide coacervates as reversibly triggerable compartments for synthetic cells	26
Isolation, (bio)synthetic studies and evaluation of antimicrobial properties of drimenol-type sesquiterpenes of Termitomyces fungi	26
Counteranion-induced structural isomerization of phosphine-protected PdAu8 and PtAu8 clusters	26
A van der Waals porous crystal featuring conformational flexibility and permanent porosity for ultrafast water release	26
Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors	25
Van Krevelen diagrams based on machine learning visualize feedstock-product relationships in thermal conversion processes	25
Paper-based electrochemical device for early detection of integrin αvβ6 expressing tumors	25
Retrosynthetic planning with experience-guided Monte Carlo tree search	25
Design of Mn(1,4-DO2A) derivatives as stable and inert contrast agents for magnetic resonance imaging	24
Organic phosphorescence in Pt(II)-complexes linked to organic chromophores for blue-emitting organic light-emitting diodes	24
Chemical- and photo-activation of protein-protein thiol-ene coupling for protein profiling	24
Regulation of enzymatic reactions by chemical composition of peptide biomolecular condensates	24
Intermetallic PdZn nanoparticles catalyze the continuous-flow hydrogenation of alkynols to cis-enols	24
Access to fluorochemicals directly from fluorspar	24
Nanohybrids of atomically precise metal nanoclusters	24
Self-emergent vortex flow of microtubule and kinesin in cell-sized droplets under water/water phase separation	24
Order–order assembly transition-driven polyamines detection based on iron−sulfur complexes	24
Direct alkylation of N,N-dialkyl benzamides with methyl sulfides under transition metal-free conditions	24
Acceptorless cross-dehydrogenative coupling for C(sp3)-H heteroarylation mediated by a heterogeneous GaN/ketone photocatalyst/photosensitizer system	23
ATP induces folding of ALS-causing C71G-hPFN1 and nascent hSOD1	23
Total synthesis of a structurally complex zwitterionic hexasaccharide repeating unit of polysaccharide B from Bacteroides fragilis via one-pot glycosylation	23
G2Retro as a two-step graph generative models for retrosynthesis prediction	23
Iridium-catalyzed enantioselective synthesis of chiral γ-amino alcohols and intermediates of (S)-duloxetine, (R)-fluoxetine, and (R)-atomoxetine	23
Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks	23
Core-shell structure of LiMn2O4 cathode material reduces phase transition and Mn dissolution in Li-ion batteries	23
Interface potential-induced natural antioxidant mimic system for the treatment of Alzheimer’s disease	23
DigiChemTree enables programmable light-induced carbene generation for on demand chemical synthesis	23
Self-assembly of stabilized droplets from liquid–liquid phase separation for higher-order structures and functions	23
Superflux of an organic adlayer towards its local reactive immobilization	22
Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography	22
Utilizing surface water adsorption on layered MnO2 nanosheets for enhancing heat storage performance	22
Metastable phase-separated droplet generation and long-time DNA enrichment by laser-induced Soret effect	22
A spirocyclic backbone accesses new conformational space in an extended, dipole-stabilized foldamer	22
Women in Chemistry: Q&A with Professor Malika Jeffries-EL	22
Analysis of chemical exchange in iridium N-heterocyclic carbene complexes using heteronuclear parahydrogen-enhanced NMR	22
Author Correction: Structural phase transition in NH4F under extreme pressure conditions	22
Author Correction: Interdisciplinary development of an overall process concept from glucose to 4,5-dimethyl-1,3-dioxolane via 2,3-butanediol	22
Women in chemistry: Q&A with Professor Carolina Horta Andrade	22
Theoretical framework for mixed-potential-driven catalysis	22
An open-source molecular builder and free energy preparation workflow	21
Structural and functional investigations of syn-copalyl diphosphate synthase from Oryza sativa	21
18-membered macrocycle appended on resin for selective rare earth element extraction and separation	21
Real-time visualisation of fast nanoscale processes during liquid reagent mixing by liquid cell transmission electron microscopy	21
Measurement of phospholipid lateral diffusion at high pressure by in situ magic-angle spinning NMR spectroscopy	21
Unraveling the phase diagram-ion transport relationship in aqueous electrolyte solutions and correlating conductivity with concentration and temperature by semi-empirical modeling	21
An archaeal lid-containing feruloyl esterase degrades polyethylene terephthalate	21
Prebiotic chemical origin of biomolecular complementarity	21
Computational screening methodology identifies effective solvents for CO2 capture	20
Generic and accurate prediction of retention times in liquid chromatography by post–projection calibration	20
Backbone-mediated weakening of pairwise interactions enables percolation in peptide-based mimics of protein condensates	20
A continuum of amorphous ices between low-density and high-density amorphous ice	20
Structural mechanisms behind the neutralisation of long-chain α-neurotoxins by broadly neutralising VHHs discovered using a consensus antigen	20
Substrate scope expansion of 4-phenol oxidases by rational enzyme selection and sequence-function relations	20
Development of ketalized unsaturated saccharides as multifunctional cysteine-targeting covalent warheads	20
Self-cyclisation as a general and efficient platform for peptide and protein macrocyclisation	20
Conformational plasticity and allosteric communication networks explain Shelterin protein TPP1 binding to human telomerase	20
Gene conversion-associated successive engineering of modular polyketide synthases	19
Hydrogen and helium trapping in hcp beryllium	19
Membrane electrode assembly design to prevent CO2 crossover in CO2 reduction reaction electrolysis	19
Women in chemistry: Q&A with Professor Hyunjoo Lee	18
2024 Editors’ Highlights	18
Author Correction: Factors affecting irreversible inhibition of EGFR and influence of chirality on covalent binding	18
Testing functional anchor groups for the efficient immobilization of molecular catalysts on silver surfaces	18
Generation of DNA oligomers with similar chemical kinetics via in-silico optimization	18
Structural and mechanistic profiling of Nurr1 modulation by vidofludimus enables structure-guided ligand design	18
Transition metal-free visible light photoredox-catalyzed remote C(sp3)−H borylation enabled by 1,5-hydrogen atom transfer	18
Evaluating the use of absolute binding free energy in the fragment optimisation process	18
Direct probing of low-energy intra d-band transitions in gas-phase cobalt clusters	18
Bridging the incompatibility gap in dual asymmetric catalysis over a thermoresponsive hydrogel-supported catalyst	18
Direct structural observation of ultrafast photoisomerization dynamics in sinapate esters	18
Formaldehyde reacts with N-terminal proline residues to give bicyclic aminals	17
Effect of aliovalent bismuth substitution on structure and optical properties of CsSnBr3	17
Stepwise on-surface synthesis of nitrogen-doped porous carbon nanoribbons	17
Identifying G-quadruplex-interacting proteins in cancer-related gene promoters	17

Site-selective chlorination of pyrrolic heterocycles by flavin dependent enzyme PrnC	17
Regulating photosalient behavior in dynamic metal-organic crystals	17
Synthesis, biological evaluation and clinical trials of Cereblon-based PROTACs	17
Unveiling the role of dark states in dynamic control of azopyrrole photoisomerization by light-matter interaction	17
Dinuclear and tetranuclear group 10 metal complexes constructed from linear tetrasilane comprising both Si-H and Si-Si moieties	17
Small-rotative fixed-target serial synchrotron crystallography (SR-FT-SSX) for molecular crystals	17
Open questions on bonding involving lanthanide atoms	17
Oxygen reduction kinetics of high performance BaCo0.4Fe0.4M0.1Y0.1O3-δ (M = Mg, Zr) positrode for protonic ceramic fuel cells	17
Experimental evidence of kinetically driven mechanisms for soot inception	17
Deviatoric stress-induced metallization, layer reconstruction and collapse of van der Waals bonded zirconium disulfide	16
Electrodeposition of porous metal-organic frameworks for efficient charge storage	16
Directed synthesis of N1/N3-histidine modified by 2-hydroxyethylthioethyl and identification in sulfur mustard-exposed plasma	16
Ortho-functionalized pyridinyl-tetrazines break the inverse correlation between click reactivity and cleavage yields in click-to-release chemistry	16
Open questions on liquid–liquid phase separation	16
A stable and strongly ferromagnetic Fe17O10– cluster with an accordion-like structure	16
Formal [4 + 2] combined ionic and radical approach of vinylogous enaminonitriles to access highly substituted sulfonyl pyridazines	16
Post-polymerization modification enabling library synthesis of highly isotactic polyacrylamides carrying different pendant groups	16
Convergence and equilibrium in molecular dynamics simulations	16
Impact of stack pressure on coulometric titration time analysis	16
Multimode polariton effects on molecular energy transport and spectral fluctuations	15
Decorating polymer beads with 1014 inorganic-organic [2]rotaxanes as shown by spin counting	15
Chiral phosphoric acid-catalyzed enantioselective phosphinylation of 3,4-dihydroisoquinolines with diarylphosphine oxides	15
Long and isolated graphene nanoribbons by on-surface polymerization on Au(111)	15
Decrypting a cryptic allosteric pocket in H. pylori glutamate racemase	15
XFEL crystallography reveals catalytic cycle dynamics during non-native substrate oxidation by cytochrome P450BM3	15
TransPeakNet for solvent-aware 2D NMR prediction via multi-task pre-training and unsupervised learning	15
The interactive role of methane beyond a reactant in crude oil upgrading	15
Copper-catalyzed intermolecular formal (5 + 1) annulation of 1,5-diynes with 1,2,5-oxadiazoles	15
A genetically encoded BRET-based SARS-CoV-2 Mpro protease activity sensor	15
Stabilization of a miniprotein fold by an unpuckered proline surrogate	15
Surface engineering of zinc phthalocyanine organic thin-film transistors results in part-per-billion sensitivity towards cannabinoid vapor	15
Rotaxanes with a photoresponsive macrocycle modulate the lipid bilayers of large and giant unilamellar vesicles	15
Blinking characteristics of organic fluorophores for blink-based multiplexing	15
Using surface plasmon resonance, capillary electrophoresis and diffusion-ordered NMR spectroscopy to study drug release kinetics	14
Catenane organocatalyst breaks the linear scaling limitation through conformational selection	14
1,3a,6a-Triazapentalene derivatives as photo-induced cytotoxic small fluorescent dyes	14
Unveiled reactivity of masked diformylmethane with enamines forming resonance-assisted hydrogen bonding leads to di-meta-substituted pyridines	14
Chromatin inspired bio-condensation between biomass DNA and guanosine monophosphate produces all-nucleic hydrogel as a hydrotropic drug carrier	14
Isoaspartate-containing galanin in rat hypothalamus	14
Real-time 31P NMR reveals different gradient strengths in polyphosphoester copolymers as potential MRI-traceable nanomaterials	14
How journal editors can support women in chemistry	14
Detection of the UV-vis silent biomarker trimethylamine-N-oxide via outer-sphere interactions in a lanthanide metal-organic framework	14
Open questions on transition metals driving secondary thermal processes in atmospheric aerosols	14
Competitive protein recruitment in artificial cells	14
Frontal polymerization-triggered simultaneous ring-opening metathesis polymerization and cross metathesis affords anisotropic macroporous dicyclopentadiene cellulose nanocrystal foam	14
The Goldilocks paradigm: comparing classical machine learning, large language models, and few-shot learning for drug discovery applications	14
Stereochemical engineering yields a multifunctional peptide macrocycle inhibitor of Akt2 by fine-tuning macrocycle-cell membrane interactions	14
The ability of trimethylamine N-oxide to resist pressure induced perturbations to water structure	14
London dispersion forces and steric effects within nanocomposites tune interaction energies and chain conformation	14
Mechanistic investigation of sustainable heme-inspired biocatalytic synthesis of cyclopropanes for challenging substrates	14
Local order in a disordered Zintl phase boosts its thermoelectric performance	14
Women in chemistry: Q&A with Professor Mónica H. Pérez-Temprano	14
Large language model guided automated reaction pathway exploration	14
Post-spinel-type AB2O4 high-pressure phases in geochemistry and materials science	14
Computational investigation of hysteresis and phase equilibria of n-alkanes in a metal-organic framework with both micropores and mesopores	13
Conformational tuning improves the stability of spirocyclic nitroxides with long paramagnetic relaxation times	13
Predicting permeation of compounds across the outer membrane of P. aeruginosa using molecular descriptors	13
A grand canonical study of the potential dependence of nitrate adsorption and dissociation across metals and dilute alloys	13
Mass action model of solution activity via speciation by solvation and ion pairing equilibria	13
Bioinspired enzymatic compartments constructed by spatiotemporally confined in situ self-assembly of catalytic peptide	13
Electrochemically grown porous platinum for electrocatalysis and optical applications	13
Investigation of resonance-stabilized radicals associated with soot particle inception using advanced electron paramagnetic resonance techniques	13
Precision engineering of nano-assemblies in superfluid helium by the use of van der Waals forces	13
Proteome selectivity profiling of photoaffinity probes derived from imidazopyrazine-kinase inhibitors	13
Glycerol-based deep eutectic solvents for efficient and reversible iodine uptake from vapour phase	13
Structure-based design of a dual-warhead covalent inhibitor of FGFR4	13
Impact of the metal core on the electrochemiluminescence of a pair of atomically precise Au20 nanocluster isomers	13
Quantification and description of photothermal heating effects in plasmon-assisted electrochemistry	13
Selective emergence of photoluminescence at telecommunication wavelengths from cyclic perfluoroalkylated carbon nanotubes	13
Crosslinking, salt-induced aging, and secondary structure formation in Peptide-containing coacervates inspired by spider silk	13
Role of decomposition products in the oxidation of cyclohexene using a manganese(III) complex	13
Unraveling the mechanism of tip-enhanced molecular energy transfer	13
Elucidating the reaction mechanism of a palladium-palladium dual catalytic process through kinetic studies of proposed elementary steps	12
Switchable aqueous catalytic systems for organic transformations	12
Modelling local and general quantum mechanical properties with attention-based pooling	12
Elucidating reactive sugar-intermediates by mass spectrometry	12
Towards precision medicine using biochemically triggered cleavable conjugation	12
An active representation learning method for reaction yield prediction with small-scale data	12
Ion coordination and migration mechanisms in alkali metal complex borohydride-based solid electrolytes	12
A semi-automated material exploration scheme to predict the solubilities of tetraphenylporphyrin derivatives	12
Botulinum neurotoxin A mutants with enhanced ganglioside binding show improved potency and altered ganglioside selectivity	12
Emergence of conformational diversity and complexity of supramolecular structure by the interaction of a simple molecule with a uniform surface	12
Interdisciplinary development of an overall process concept from glucose to 4,5-dimethyl-1,3-dioxolane via 2,3-butanediol	12
Approaching isotropic charge transport of n-type organic semiconductors with bulky substituents	12
Prediction of heptagonal bipyramidal nonacoordination in highly viable [OB-M©B7O7-BO]− (M = Fe, Ru, Os) complexes	12
Catalytic thiolation-depolymerization-like decomposition of oxyphenylene-type super engineering plastics via selective carbon–oxygen main chain cleavages	12
A facile alternative strategy of upcycling mixed plastic waste into vitrimers	12
Fast and effective molecular property prediction with transferability map	12
Shortcut to chemically accurate quantum computing via density-based basis-set correction	12
Molecular entanglement can strongly increase basicity	12
Opportunities and challenges in modelling ligand adsorption on semiconductor nanocrystals	12
NIR light-activated nanocomposites combat biofilm formation and enhance antibacterial efficacy for improved wound healing	12
Ni/NHC-catalyzed C5-H alkylation and alkenylation of challenging furan(thiophene)-2-carboxaldehydes enabled by recyclable imine protecting group	12
Oncogenic p53 triggers amyloid aggregation of p63 and p73 liquid droplets	12
Magnetic sustentation as an adsorption characterization technique for paramagnetic metal-organic frameworks	12