Communications Chemistry

Article	Citations
Celebrating 5 years of Communications Chemistry	229
Queer in Chem: Q&A with Professor Nancy Williams	147
Assignment of individual structures from intermetalloid nickel gallium cluster ensembles	129
Phosphinothio(seleno)ation of alkynes/olefins and application on the late-stage functionalization of natural products	127
Oxygen transfer reaction of haloalkyl amides catalyzed by phenylboronic acid	122
Mechanistic insight into the dynamics of Mur ligase through a comprehensive timescale-specific approach	120
Release of nanodiscs from charged nano-droplets in the electrospray ionization revealed by molecular dynamics simulations	112
Tailoring aggregation-induced emission in luminescent solar concentrators through controlled polymerization	102
In situ analysis of the bulk and surface chemical compositions of organic aerosol particles	99
Rovibrational dynamics of the quasistructural N2 dimer	91
Spatiotemporal control of translation in live zebrafish embryos via photoprotected mRNAs	86
Hot carriers from intra- and interband transitions in gold-silver alloy nanoparticles	82
Structure-based discovery of forsythoside A as an effective inhibitor to reduce the neurotoxicity of amyloid β	80
Electrochemical carbonyl reduction on single-site M–N–C catalysts	79
Precursor-free synthesis of carbon quantum dots and carbon microparticles in supercritical acetone	68
Electrochemical heteroarylation and amidation of alkanes using activated glassy carbon electrodes without mediators	66
BioStruct-Africa’s capacity building workshops as a model for advancing the emerging community of structural biologists in Africa	59
Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF3– complexes	58
Angular orientation between the cores of iron oxide nanoclusters controls their magneto–optical properties and magnetic heating functions	56
Proteome-wide non-cleavable crosslink identification with MS Annika 3.0 reveals the structure of the C. elegans Box C/D complex	56
Enabling systemic identification and functionality profiling for Cdc42 homeostatic modulators	55
Bridging electron and nuclear motions in chemical reactions through electrostatic forces from reactive orbitals	55
The rise of data repositories in materials chemistry	54
Structural annotation of unknown molecules in a miniaturized mass spectrometer based on a transformer enabled fragment tree method	54
Verification of preparations of (1H-indol-3-yl)methyl electrophiles and development of their microflow rapid generation and substitution	53

Tuning the electronic states of Pd(II) defect-engineered metal-organic framework catalysts for efficient conversion of isocyanides	51
Near-infrared hyperspectral imaging to map collagen content in prehistoric bones for radiocarbon dating	50
Inferring residue level hydrogen deuterium exchange with ReX	50
Encapsulation within a coordination cage modulates the reactivity of redox-active dyes	48
Leveraging infrared spectroscopy for automated structure elucidation	48
Simulating the structural phase transitions of metal-organic frameworks with control over the volume of nanocrystallites	47
Narrowing the gap between machine learning scoring functions and free energy perturbation using augmented data	47
A rare peptide scaffold in kineomicins, the glycopeptide antibiotics produced by Actinokineospora auranticolor DSM 44650	46
Appearance and suppression of Turing patterns under a periodically forced feed	44
Phosphorylation of nucleosides by P-N bond species generated from prebiotic reduced phosphorus sources	42
Photoluminescence of the Au38(SR)26 nanocluster comprises three radiative processes	42
Multi-responsive chitosan-based hydrogels for controlled release of vincristine	41
Semi-synthesis of TDP-43 reveals the effects of phosphorylation in N-terminal domain on self-association	41
ATP and small amphiphilic molecules act as molecular matchmakers to fine-tune FET protein clusters	41
Non-isocyanate polyurethanes synthesized from terpenes using thiourea organocatalysis and thiol-ene-chemistry	39
Ultrafast probing of isotope-induced explicit symmetry breaking in ethylene	38
Determining hexavalent chromium transport properties in alkaline nuclear waste using nuclear magnetic resonance spectroscopy	38
Homogeneous catalysis in continuous flow integrating photocatalysis, electrocatalysis, and automation technologies	37
Short-lived calcium carbonate precursors observed in situ via Bullet-dynamic nuclear polarization	37
Enhanced enantioselectivity in halogen-bonding catalysis	37
Open questions on the transfer of chirality	37
Effects of multi-functional additives during foam extrusion of wheat gluten materials	36
Species-specific lipophilicities of fluorinated diketones in complex equilibria systems and their potential as multifaceted reversible covalent warheads	36
Enhanced interfacial water dissociation on a hydrated iron porphyrin single-atom catalyst in graphene	36
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	36
Formation reaction mechanism and infrared spectra of anti-trans-methacrolein oxide and its associated precursor and adduct radicals	35
A recyclable stereoauxiliary aminocatalyzed strategy for one-pot synthesis of indolizine-2-carbaldehydes	35
Simplifying glycan monitoring of complex antigens such as the SARS-CoV-2 spike to accelerate vaccine development	35
Real-time inline-IR-analysis via linear-combination strategy and machine learning for automated reaction optimization	35
An iridium(III) complex-based luminogenic probe for high-throughput screening of hydrogen sulfide donors in living cells	34
Cyanine dyes in the mitochondria-targeting photodynamic and photothermal therapy	34
One-dimensional CrI3 encapsulated within multi-walled carbon nanotubes	34
Surface modifications of eight-electron palladium silver superatomic alloys	34
Standardizing critical current density measurements in lithium garnets	34
DigFrag as a digital fragmentation method used for artificial intelligence-based drug design	33
Synthesis of ultra-high molecular weight homo- and copolymers via an ultrasonic emulsion process with a fast rate	33
Design of asymmetric electrolytes for aqueous zinc batteries	33
Variational autoencoder-based chemical latent space for large molecular structures with 3D complexity	33
Highly efficient and selective electrocatalytic hydrogen peroxide production on Co-O-C active centers on graphene oxide	33
MS-RIDD paves the way toward routine double bond localization in mass spectrometry-based lipidomics	32
2022 Editors’ Highlights	32
Enhanced sensitivity to odors due to chemosignals associated with anxiety	32
A personal account of contributions to equity, diversity and inclusion within the Canadian chemistry community	32
Supercritical fluid chromatography-mass spectrometry enables simultaneous measurement of all phosphoinositide regioisomers	32
Counteranion-induced structural isomerization of phosphine-protected PdAu8 and PtAu8 clusters	31
Role of formaldehyde in promoting aromatic selectivity during methanol conversion over gallium-modified zeolites	31
Queer in Chem: Q&A with Dr Camille Bishop	31
Water-compatible dynamic covalent bonds based on a boroxine structure	30
Isolation, (bio)synthetic studies and evaluation of antimicrobial properties of drimenol-type sesquiterpenes of Termitomyces fungi	30
A van der Waals porous crystal featuring conformational flexibility and permanent porosity for ultrafast water release	30

Membrane-based nanopurification for plastic recycling	30
Molecular optimization using a conditional transformer for reaction-aware compound exploration with reinforcement learning	29
Paper-based electrochemical device for early detection of integrin αvβ6 expressing tumors	29
Elastin-like polypeptide coacervates as reversibly triggerable compartments for synthetic cells	29
Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors	28
Foldamers controlled by functional triamino acids: structural investigation of α/γ-hybrid oligopeptides	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
Transaminase-catalysis to produce trans-4-substituted cyclohexane-1-amines including a key intermediate towards cariprazine	28
Synthetic studies on the tetrasubstituted D-ring of cystobactamids lead to potent terephthalic acid antibiotics	28
Retrosynthetic planning with experience-guided Monte Carlo tree search	28
Expanding on the ability of trivalent actinides to support microbial alcohol metabolism in evolved methylotrophic bacterium	28
Selective manipulation of L-cysteine crystal polymorphs using focused laser beams	28
Deconstructing allostery by computational assessment of the binding determinants of allosteric PTP1B modulators	27
Topologically-crosslinked hydrogels based on γ-cyclodextrins	27
Nanohybrids of atomically precise metal nanoclusters	27
Rational engineering of a thermostable α-oxoamine synthase biocatalyst expands the substrate scope and synthetic applicability	27
Versatile phosphonium-catechol dispersant for inorganic nanoparticle stability across diverse media and manufacturing processes	27
A biomimetic phosphor that can build a rigid microenvironment for its long-lived afterglow in aqueous medium	27
Synthesis and luminescence properties of substituted benzils	26
Stereoselective polar radical crossover for the functionalization of strained-ring systems	26
Chemical- and photo-activation of protein-protein thiol-ene coupling for protein profiling	26
Access to fluorochemicals directly from fluorspar	26
Design of linear and cyclic peptide binders from protein sequence information	26
Engineering of acyl ligase domain in non-ribosomal peptide synthetases to change fatty acid moieties of lipopeptides	26
Van Krevelen diagrams based on machine learning visualize feedstock-product relationships in thermal conversion processes	26
Order–order assembly transition-driven polyamines detection based on iron−sulfur complexes	25
Self-emergent vortex flow of microtubule and kinesin in cell-sized droplets under water/water phase separation	25
Design of Mn(1,4-DO2A) derivatives as stable and inert contrast agents for magnetic resonance imaging	25
ATP induces folding of ALS-causing C71G-hPFN1 and nascent hSOD1	25
Interface potential-induced natural antioxidant mimic system for the treatment of Alzheimer’s disease	24
Iridium-catalyzed enantioselective synthesis of chiral γ-amino alcohols and intermediates of (S)-duloxetine, (R)-fluoxetine, and (R)-atomoxetine	24
Organic phosphorescence in Pt(II)-complexes linked to organic chromophores for blue-emitting organic light-emitting diodes	24
Intermetallic PdZn nanoparticles catalyze the continuous-flow hydrogenation of alkynols to cis-enols	24
A bioinformatics approach to design minimal biomimetic metal-binding peptides	24
Acceptorless cross-dehydrogenative coupling for C(sp3)-H heteroarylation mediated by a heterogeneous GaN/ketone photocatalyst/photosensitizer system	24
Spitrobot-2 advances time-resolved cryo-trapping crystallography to under 25 ms	24
Multimodal deep learning integration of cryo-EM and AlphaFold3 for high-accuracy protein structure determination	24
Regulation of enzymatic reactions by chemical composition of peptide biomolecular condensates	24
Self-assembly of stabilized droplets from liquid–liquid phase separation for higher-order structures and functions	23
Women in Chemistry: Q&A with Professor Malika Jeffries-EL	23
Women in chemistry: Q&A with Professor Carolina Horta Andrade	23
G2Retro as a two-step graph generative models for retrosynthesis prediction	23
Nanocluster intermediates orchestrate the phase transition of ATP condensates	23
Author Correction: Structural phase transition in NH4F under extreme pressure conditions	23
Core-shell structure of LiMn2O4 cathode material reduces phase transition and Mn dissolution in Li-ion batteries	23
Superflux of an organic adlayer towards its local reactive immobilization	23
Author Correction: Interdisciplinary development of an overall process concept from glucose to 4,5-dimethyl-1,3-dioxolane via 2,3-butanediol	23
Analysis of chemical exchange in iridium N-heterocyclic carbene complexes using heteronuclear parahydrogen-enhanced NMR	22
Metastable phase-separated droplet generation and long-time DNA enrichment by laser-induced Soret effect	22
Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks	22
Substrate scope expansion of 4-phenol oxidases by rational enzyme selection and sequence-function relations	22
Utilizing surface water adsorption on layered MnO2 nanosheets for enhancing heat storage performance	21
A continuum of amorphous ices between low-density and high-density amorphous ice	21
Structural and functional investigations of syn-copalyl diphosphate synthase from Oryza sativa	21
A spirocyclic backbone accesses new conformational space in an extended, dipole-stabilized foldamer	21
Conformational plasticity and allosteric communication networks explain Shelterin protein TPP1 binding to human telomerase	21
Prebiotic chemical origin of biomolecular complementarity	21
Backbone-mediated weakening of pairwise interactions enables percolation in peptide-based mimics of protein condensates	21
Comparative evaluation of Olink Explore 3072 and mass spectrometry with peptide fractionation for plasma proteomics	21
Measurement of phospholipid lateral diffusion at high pressure by in situ magic-angle spinning NMR spectroscopy	21
Gene conversion-associated successive engineering of modular polyketide synthases	21
Hydrogen and helium trapping in hcp beryllium	21
18-membered macrocycle appended on resin for selective rare earth element extraction and separation	21
Unraveling the phase diagram-ion transport relationship in aqueous electrolyte solutions and correlating conductivity with concentration and temperature by semi-empirical modeling	20
Total synthesis of a structurally complex zwitterionic hexasaccharide repeating unit of polysaccharide B from Bacteroides fragilis via one-pot glycosylation	20
Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography	20
A large language model for deriving spectral embeddings for accurate compound identification in mass spectrometry	20
Membrane electrode assembly design to prevent CO2 crossover in CO2 reduction reaction electrolysis	20
Structural mechanisms behind the neutralisation of long-chain α-neurotoxins by broadly neutralising VHHs discovered using a consensus antigen	20
Computational screening methodology identifies effective solvents for CO2 capture	19
An open-source molecular builder and free energy preparation workflow	19
Development of ketalized unsaturated saccharides as multifunctional cysteine-targeting covalent warheads	19
Women in chemistry: Q&A with Professor Hyunjoo Lee	19
Theoretical framework for mixed-potential-driven catalysis	19
Evaluating the use of absolute binding free energy in the fragment optimisation process	19
A comparative study of machine learning models on molecular fingerprints for odor decoding	19
Self-cyclisation as a general and efficient platform for peptide and protein macrocyclisation	19
Generic and accurate prediction of retention times in liquid chromatography by post–projection calibration	19
DigiChemTree enables programmable light-induced carbene generation for on demand chemical synthesis	19
Real-time visualisation of fast nanoscale processes during liquid reagent mixing by liquid cell transmission electron microscopy	19

2024 Editors’ Highlights	19
An archaeal lid-containing feruloyl esterase degrades polyethylene terephthalate	19
Direct probing of low-energy intra d-band transitions in gas-phase cobalt clusters	18
Synthesis, biological evaluation and clinical trials of Cereblon-based PROTACs	18
Structural and mechanistic profiling of Nurr1 modulation by vidofludimus enables structure-guided ligand design	18
Formaldehyde reacts with N-terminal proline residues to give bicyclic aminals	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
Dinuclear and tetranuclear group 10 metal complexes constructed from linear tetrasilane comprising both Si-H and Si-Si moieties	18
Oxygen reduction kinetics of high performance BaCo0.4Fe0.4M0.1Y0.1O3-δ (M = Mg, Zr) positrode for protonic ceramic fuel cells	18
Bridging the incompatibility gap in dual asymmetric catalysis over a thermoresponsive hydrogel-supported catalyst	18
Author Correction: Factors affecting irreversible inhibition of EGFR and influence of chirality on covalent binding	18
Experimental evidence of kinetically driven mechanisms for soot inception	18
Stepwise on-surface synthesis of nitrogen-doped porous carbon nanoribbons	18
Post-polymerization modification enabling library synthesis of highly isotactic polyacrylamides carrying different pendant groups	18
Open questions on bonding involving lanthanide atoms	17
Deviatoric stress-induced metallization, layer reconstruction and collapse of van der Waals bonded zirconium disulfide	17
Site-selective chlorination of pyrrolic heterocycles by flavin dependent enzyme PrnC	17
Convergence and equilibrium in molecular dynamics simulations	17
Direct structural observation of ultrafast photoisomerization dynamics in sinapate esters	17
Identifying G-quadruplex-interacting proteins in cancer-related gene promoters	17
Regulating photosalient behavior in dynamic metal-organic crystals	17
Effect of aliovalent bismuth substitution on structure and optical properties of CsSnBr3	17
Small-rotative fixed-target serial synchrotron crystallography (SR-FT-SSX) for molecular crystals	17
Electrodeposition of porous metal-organic frameworks for efficient charge storage	17
Transition metal-free visible light photoredox-catalyzed remote C(sp3)−H borylation enabled by 1,5-hydrogen atom transfer	17
Open questions on liquid–liquid phase separation	17
Ortho-functionalized pyridinyl-tetrazines break the inverse correlation between click reactivity and cleavage yields in click-to-release chemistry	17
Unveiling the role of dark states in dynamic control of azopyrrole photoisomerization by light-matter interaction	17
How journal editors can support women in chemistry	16
Using surface plasmon resonance, capillary electrophoresis and diffusion-ordered NMR spectroscopy to study drug release kinetics	16
Copper-catalyzed intermolecular formal (5 + 1) annulation of 1,5-diynes with 1,2,5-oxadiazoles	16
Development of a 1H qNMR method for the identification and quantification of monosaccharides in dietary fibre fractions	16
1,3a,6a-Triazapentalene derivatives as photo-induced cytotoxic small fluorescent dyes	16
Blinking characteristics of organic fluorophores for blink-based multiplexing	16
Stabilization of a miniprotein fold by an unpuckered proline surrogate	16
Publisher Correction: Effect of additives on the high-temperature performance of a sodium bis(oxalato)borate in triethyl phosphate electrolyte in sodium-ion batteries	16
The ability of trimethylamine N-oxide to resist pressure induced perturbations to water structure	16
Isoaspartate-containing galanin in rat hypothalamus	16
Detection of the UV-vis silent biomarker trimethylamine-N-oxide via outer-sphere interactions in a lanthanide metal-organic framework	16
A genetically encoded BRET-based SARS-CoV-2 Mpro protease activity sensor	16
Catenane organocatalyst breaks the linear scaling limitation through conformational selection	16
XFEL crystallography reveals catalytic cycle dynamics during non-native substrate oxidation by cytochrome P450BM3	16
Directed synthesis of N1/N3-histidine modified by 2-hydroxyethylthioethyl and identification in sulfur mustard-exposed plasma	16
Chromatin inspired bio-condensation between biomass DNA and guanosine monophosphate produces all-nucleic hydrogel as a hydrotropic drug carrier	16
The Goldilocks paradigm: comparing classical machine learning, large language models, and few-shot learning for drug discovery applications	16
Rotaxanes with a photoresponsive macrocycle modulate the lipid bilayers of large and giant unilamellar vesicles	16
TransPeakNet for solvent-aware 2D NMR prediction via multi-task pre-training and unsupervised learning	15
Mechanistic investigation of sustainable heme-inspired biocatalytic synthesis of cyclopropanes for challenging substrates	15
Impact of stack pressure on coulometric titration time analysis	15
Chiral phosphoric acid-catalyzed enantioselective phosphinylation of 3,4-dihydroisoquinolines with diarylphosphine oxides	15
Multimode polariton effects on molecular energy transport and spectral fluctuations	15
Decrypting a cryptic allosteric pocket in H. pylori glutamate racemase	15
Long and isolated graphene nanoribbons by on-surface polymerization on Au(111)	15
Computational investigation of hysteresis and phase equilibria of n-alkanes in a metal-organic framework with both micropores and mesopores	15
Women in chemistry: Q&A with Professor Mónica H. Pérez-Temprano	15
A stable and strongly ferromagnetic Fe17O10– cluster with an accordion-like structure	15
Stereochemical engineering yields a multifunctional peptide macrocycle inhibitor of Akt2 by fine-tuning macrocycle-cell membrane interactions	15
Large language model guided automated reaction pathway exploration	15
Real-time 31P NMR reveals different gradient strengths in polyphosphoester copolymers as potential MRI-traceable nanomaterials	15
Unraveling the mechanism of tip-enhanced molecular energy transfer	15
Electrochemically grown porous platinum for electrocatalysis and optical applications	15
Post-spinel-type AB2O4 high-pressure phases in geochemistry and materials science	15
Surface engineering of zinc phthalocyanine organic thin-film transistors results in part-per-billion sensitivity towards cannabinoid vapor	15
Formal [4 + 2] combined ionic and radical approach of vinylogous enaminonitriles to access highly substituted sulfonyl pyridazines	15
Frontal polymerization-triggered simultaneous ring-opening metathesis polymerization and cross metathesis affords anisotropic macroporous dicyclopentadiene cellulose nanocrystal foam	15
London dispersion forces and steric effects within nanocomposites tune interaction energies and chain conformation	15
Decorating polymer beads with 1014 inorganic-organic [2]rotaxanes as shown by spin counting	15
Structure-based design of a dual-warhead covalent inhibitor of FGFR4	14
Role of decomposition products in the oxidation of cyclohexene using a manganese(III) complex	14
A fused deep learning approach to transform drug repositioning	14
Prediction of heptagonal bipyramidal nonacoordination in highly viable [OB-M©B7O7-BO]− (M = Fe, Ru, Os) complexes	14
Conformational tuning improves the stability of spirocyclic nitroxides with long paramagnetic relaxation times	14
Impact of the metal core on the electrochemiluminescence of a pair of atomically precise Au20 nanocluster isomers	14
Ni/NHC-catalyzed C5-H alkylation and alkenylation of challenging furan(thiophene)-2-carboxaldehydes enabled by recyclable imine protecting group	14
Selective emergence of photoluminescence at telecommunication wavelengths from cyclic perfluoroalkylated carbon nanotubes	14
Proteome selectivity profiling of photoaffinity probes derived from imidazopyrazine-kinase inhibitors	14
Open questions on transition metals driving secondary thermal processes in atmospheric aerosols	14
Sequence-based prediction of condensate composition reveals that specificity can emerge from multivalent interactions among disordered regions	14
Crosslinking, salt-induced aging, and secondary structure formation in Peptide-containing coacervates inspired by spider silk	14
Bioinspired enzymatic compartments constructed by spatiotemporally confined in situ self-assembly of catalytic peptide	14
Competitive protein recruitment in artificial cells	14
Queer in Chem: Q&A with Professor Anna G. Slater	13
An active representation learning method for reaction yield prediction with small-scale data	13
Quantification and description of photothermal heating effects in plasmon-assisted electrochemistry	13
Oncogenic p53 triggers amyloid aggregation of p63 and p73 liquid droplets	13
Chemoproteomics identifies protein ligands for monoacylglycerol lipids	13
Ion coordination and migration mechanisms in alkali metal complex borohydride-based solid electrolytes	13
Precision engineering of nano-assemblies in superfluid helium by the use of van der Waals forces	13
Glycerol-based deep eutectic solvents for efficient and reversible iodine uptake from vapour phase	13
Unveiled reactivity of masked diformylmethane with enamines forming resonance-assisted hydrogen bonding leads to di-meta-substituted pyridines	13
Locating hydrogen in the Mg5Bi3Hx Zintl phase	13
Binding mode of Isoxazolyl Penicillins to a Class-A β-lactamase at ambient conditions	13
Catalytic thiolation-depolymerization-like decomposition of oxyphenylene-type super engineering plastics via selective carbon–oxygen main chain cleavages	13
Emergence of conformational diversity and complexity of supramolecular structure by the interaction of a simple molecule with a uniform surface	13