Communications Chemistry

Article	Citations
Celebrating 5 years of Communications Chemistry	235
Queer in Chem: Q&A with Professor Nancy Williams	153
Assignment of individual structures from intermetalloid nickel gallium cluster ensembles	130
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	122
Verification of preparations of (1H-indol-3-yl)methyl electrophiles and development of their microflow rapid generation and substitution	114
Mechanistic insight into the dynamics of Mur ligase through a comprehensive timescale-specific approach	111
Tuning the electronic states of Pd(II) defect-engineered metal-organic framework catalysts for efficient conversion of isocyanides	111
Release of nanodiscs from charged nano-droplets in the electrospray ionization revealed by molecular dynamics simulations	91
Tailoring aggregation-induced emission in luminescent solar concentrators through controlled polymerization	91
Electrochemical carbonyl reduction on single-site M–N–C catalysts	83
Precursor-free synthesis of carbon quantum dots and carbon microparticles in supercritical acetone	82
Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF3– complexes	81
Phosphorylation of nucleosides by P-N bond species generated from prebiotic reduced phosphorus sources	71
Non-isocyanate polyurethanes synthesized from terpenes using thiourea organocatalysis and thiol-ene-chemistry	69
A rare peptide scaffold in kineomicins, the glycopeptide antibiotics produced by Actinokineospora auranticolor DSM 44650	61
ATP and small amphiphilic molecules act as molecular matchmakers to fine-tune FET protein clusters	60
Electrochemical heteroarylation and amidation of alkanes using activated glassy carbon electrodes without mediators	59
BioStruct-Africa’s capacity building workshops as a model for advancing the emerging community of structural biologists in Africa	59
Angular orientation between the cores of iron oxide nanoclusters controls their magneto–optical properties and magnetic heating functions	58
Enabling systemic identification and functionality profiling for Cdc42 homeostatic modulators	57
Bridging electron and nuclear motions in chemical reactions through electrostatic forces from reactive orbitals	57
In situ analysis of the bulk and surface chemical compositions of organic aerosol particles	56
Spatiotemporal control of translation in live zebrafish embryos via photoprotected mRNAs	55
Inferring residue level hydrogen deuterium exchange with ReX	55

Rovibrational dynamics of the quasistructural N2 dimer	55
Semi-synthesis of TDP-43 reveals the effects of phosphorylation in N-terminal domain on self-association	54
Hot carriers from intra- and interband transitions in gold-silver alloy nanoparticles	54
The role of oxygen vacancies in the electronic and optical properties of κ-Ga2O3	52
Advancing lignin analytics via elucidation of linkage progressions in lignin populations	50
Alginate cryogel beads for effectively aggregating nanoplastics for water remediation	48
Appearance and suppression of Turing patterns under a periodically forced feed	46
Narrowing the gap between machine learning scoring functions and free energy perturbation using augmented data	46
Photoluminescence of the Au38(SR)26 nanocluster comprises three radiative processes	43
Proteome-wide non-cleavable crosslink identification with MS Annika 3.0 reveals the structure of the C. elegans Box C/D complex	43
Structure-based discovery of forsythoside A as an effective inhibitor to reduce the neurotoxicity of amyloid β	42
Near-infrared hyperspectral imaging to map collagen content in prehistoric bones for radiocarbon dating	42
Leveraging infrared spectroscopy for automated structure elucidation	41
Simulating the structural phase transitions of metal-organic frameworks with control over the volume of nanocrystallites	41
Encapsulation within a coordination cage modulates the reactivity of redox-active dyes	41
The rise of data repositories in materials chemistry	40
Structural annotation of unknown molecules in a miniaturized mass spectrometer based on a transformer enabled fragment tree method	39
Multi-responsive chitosan-based hydrogels for controlled release of vincristine	39
Ultrafast probing of isotope-induced explicit symmetry breaking in ethylene	38
Enhanced sensitivity to odors due to chemosignals associated with anxiety	38
Synthesis of ultra-high molecular weight homo- and copolymers via an ultrasonic emulsion process with a fast rate	37
Systematic metabolite screening identifies functional regulators of the adenosine A2A receptor	37
Supercritical fluid chromatography-mass spectrometry enables simultaneous measurement of all phosphoinositide regioisomers	37
Effects of multi-functional additives during foam extrusion of wheat gluten materials	36
DigFrag as a digital fragmentation method used for artificial intelligence-based drug design	36
Highly efficient and selective electrocatalytic hydrogen peroxide production on Co-O-C active centers on graphene oxide	36
Cyanine dyes in the mitochondria-targeting photodynamic and photothermal therapy	36
Determining hexavalent chromium transport properties in alkaline nuclear waste using nuclear magnetic resonance spectroscopy	35
Short-lived calcium carbonate precursors observed in situ via Bullet-dynamic nuclear polarization	35
Enhanced enantioselectivity in halogen-bonding catalysis	35
Homogeneous catalysis in continuous flow integrating photocatalysis, electrocatalysis, and automation technologies	35
Species-specific lipophilicities of fluorinated diketones in complex equilibria systems and their potential as multifaceted reversible covalent warheads	34
Formation reaction mechanism and infrared spectra of anti-trans-methacrolein oxide and its associated precursor and adduct radicals	34
Enhanced interfacial water dissociation on a hydrated iron porphyrin single-atom catalyst in graphene	34
Real-time inline-IR-analysis via linear-combination strategy and machine learning for automated reaction optimization	34
Ganglioside GM1 slows down Aβ(1-42) aggregation by a primary nucleation inhibitory mechanism that is modulated by sphingomyelin and cholesterol	33
Simplifying glycan monitoring of complex antigens such as the SARS-CoV-2 spike to accelerate vaccine development	33
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	33
Standardizing critical current density measurements in lithium garnets	33
Surface modifications of eight-electron palladium silver superatomic alloys	33
A recyclable stereoauxiliary aminocatalyzed strategy for one-pot synthesis of indolizine-2-carbaldehydes	33
An iridium(III) complex-based luminogenic probe for high-throughput screening of hydrogen sulfide donors in living cells	33
2022 Editors’ Highlights	32
One-dimensional CrI3 encapsulated within multi-walled carbon nanotubes	31
Variational autoencoder-based chemical latent space for large molecular structures with 3D complexity	31
Design of asymmetric electrolytes for aqueous zinc batteries	31
A personal account of contributions to equity, diversity and inclusion within the Canadian chemistry community	30
A van der Waals porous crystal featuring conformational flexibility and permanent porosity for ultrafast water release	30
Counteranion-induced structural isomerization of phosphine-protected PdAu8 and PtAu8 clusters	30
Role of formaldehyde in promoting aromatic selectivity during methanol conversion over gallium-modified zeolites	30

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

Bridging the incompatibility gap in dual asymmetric catalysis over a thermoresponsive hydrogel-supported catalyst	19
Women in chemistry: Q&A with Professor Hyunjoo Lee	19
Real-time visualisation of fast nanoscale processes during liquid reagent mixing by liquid cell transmission electron microscopy	19
Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks	19
Generic and accurate prediction of retention times in liquid chromatography by post–projection calibration	19
2024 Editors’ Highlights	19
Prebiotic chemical origin of biomolecular complementarity	19
Self-cyclisation as a general and efficient platform for peptide and protein macrocyclisation	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
Post-polymerization modification enabling library synthesis of highly isotactic polyacrylamides carrying different pendant groups	18
Small-rotative fixed-target serial synchrotron crystallography (SR-FT-SSX) for molecular crystals	18
Testing functional anchor groups for the efficient immobilization of molecular catalysts on silver surfaces	18
Structural and mechanistic profiling of Nurr1 modulation by vidofludimus enables structure-guided ligand design	18
Unveiling the role of dark states in dynamic control of azopyrrole photoisomerization by light-matter interaction	18
Author Correction: Factors affecting irreversible inhibition of EGFR and influence of chirality on covalent binding	18
Formaldehyde reacts with N-terminal proline residues to give bicyclic aminals	18
Dinuclear and tetranuclear group 10 metal complexes constructed from linear tetrasilane comprising both Si-H and Si-Si moieties	18
Regulating photosalient behavior in dynamic metal-organic crystals	17
Transition metal-free visible light photoredox-catalyzed remote C(sp3)−H borylation enabled by 1,5-hydrogen atom transfer	17
Defect dipole alignment mediated by poling for simultaneous optimization of piezoelectricity and carrier concentration in piezocatalysts	17
Convergence and equilibrium in molecular dynamics simulations	17
Identifying G-quadruplex-interacting proteins in cancer-related gene promoters	17
Open questions on liquid–liquid phase separation	17
Oxygen reduction kinetics of high performance BaCo0.4Fe0.4M0.1Y0.1O3-δ (M = Mg, Zr) positrode for protonic ceramic fuel cells	17
Catenane organocatalyst breaks the linear scaling limitation through conformational selection	17
Ortho-functionalized pyridinyl-tetrazines break the inverse correlation between click reactivity and cleavage yields in click-to-release chemistry	17
Stepwise on-surface synthesis of nitrogen-doped porous carbon nanoribbons	17
Effect of aliovalent bismuth substitution on structure and optical properties of CsSnBr3	17
Open questions on bonding involving lanthanide atoms	17
Electrodeposition of porous metal-organic frameworks for efficient charge storage	17
Deviatoric stress-induced metallization, layer reconstruction and collapse of van der Waals bonded zirconium disulfide	17
Generation of DNA oligomers with similar chemical kinetics via in-silico optimization	17
Direct structural observation of ultrafast photoisomerization dynamics in sinapate esters	17
Site-selective chlorination of pyrrolic heterocycles by flavin dependent enzyme PrnC	17
Synthesis, biological evaluation and clinical trials of Cereblon-based PROTACs	17
Experimental evidence of kinetically driven mechanisms for soot inception	17
How journal editors can support women in chemistry	16
Real-time 31P NMR reveals different gradient strengths in polyphosphoester copolymers as potential MRI-traceable nanomaterials	16
Blinking characteristics of organic fluorophores for blink-based multiplexing	16
Formal [4 + 2] combined ionic and radical approach of vinylogous enaminonitriles to access highly substituted sulfonyl pyridazines	16
XFEL crystallography reveals catalytic cycle dynamics during non-native substrate oxidation by cytochrome P450BM3	16
The ability of trimethylamine N-oxide to resist pressure induced perturbations to water structure	16
Multimode polariton effects on molecular energy transport and spectral fluctuations	16
Development of a 1H qNMR method for the identification and quantification of monosaccharides in dietary fibre fractions	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
Long and isolated graphene nanoribbons by on-surface polymerization on Au(111)	16
Copper-catalyzed intermolecular formal (5 + 1) annulation of 1,5-diynes with 1,2,5-oxadiazoles	16
Directed synthesis of N1/N3-histidine modified by 2-hydroxyethylthioethyl and identification in sulfur mustard-exposed plasma	16
Decorating polymer beads with 1014 inorganic-organic [2]rotaxanes as shown by spin counting	16
Isoaspartate-containing galanin in rat hypothalamus	16
Stereochemical engineering yields a multifunctional peptide macrocycle inhibitor of Akt2 by fine-tuning macrocycle-cell membrane interactions	16
Post-spinel-type AB2O4 high-pressure phases in geochemistry and materials science	16
Chromatin inspired bio-condensation between biomass DNA and guanosine monophosphate produces all-nucleic hydrogel as a hydrotropic drug carrier	15
Using surface plasmon resonance, capillary electrophoresis and diffusion-ordered NMR spectroscopy to study drug release kinetics	15
A stable and strongly ferromagnetic Fe17O10– cluster with an accordion-like structure	15
TransPeakNet for solvent-aware 2D NMR prediction via multi-task pre-training and unsupervised learning	15
London dispersion forces and steric effects within nanocomposites tune interaction energies and chain conformation	15
Women in chemistry: Q&A with Professor Mónica H. Pérez-Temprano	15
A genetically encoded BRET-based SARS-CoV-2 Mpro protease activity sensor	15
The Goldilocks paradigm: comparing classical machine learning, large language models, and few-shot learning for drug discovery applications	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
Impact of stack pressure on coulometric titration time analysis	15
1,3a,6a-Triazapentalene derivatives as photo-induced cytotoxic small fluorescent dyes	15
Chiral phosphoric acid-catalyzed enantioselective phosphinylation of 3,4-dihydroisoquinolines with diarylphosphine oxides	15
Stabilization of a miniprotein fold by an unpuckered proline surrogate	15
Detection of the UV-vis silent biomarker trimethylamine-N-oxide via outer-sphere interactions in a lanthanide metal-organic framework	15
Large language model guided automated reaction pathway exploration	15
Frontal polymerization-triggered simultaneous ring-opening metathesis polymerization and cross metathesis affords anisotropic macroporous dicyclopentadiene cellulose nanocrystal foam	15
Ni/NHC-catalyzed C5-H alkylation and alkenylation of challenging furan(thiophene)-2-carboxaldehydes enabled by recyclable imine protecting group	14
Binding mode of Isoxazolyl Penicillins to a Class-A β-lactamase at ambient conditions	14
A fused deep learning approach to transform drug repositioning	14
Unraveling the mechanism of tip-enhanced molecular energy transfer	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
Mechanistic investigation of sustainable heme-inspired biocatalytic synthesis of cyclopropanes for challenging substrates	14
Role of decomposition products in the oxidation of cyclohexene using a manganese(III) complex	14
Conformational plasticity enables functional switching in diatom light-harvesting complexes	14
Oncogenic p53 triggers amyloid aggregation of p63 and p73 liquid droplets	14
Electrochemically grown porous platinum for electrocatalysis and optical applications	14
Towards precision medicine using biochemically triggered cleavable conjugation	13
Ammonia as a weak base for continuous-flow synthesis of Au, Pd, and Cu-NHC heteroleptic chloro complexes	13
Investigation of resonance-stabilized radicals associated with soot particle inception using advanced electron paramagnetic resonance techniques	13
Queer in Chem: Q&A with Professor Anna G. Slater	13
Impact of the metal core on the electrochemiluminescence of a pair of atomically precise Au20 nanocluster isomers	13
Selective emergence of photoluminescence at telecommunication wavelengths from cyclic perfluoroalkylated carbon nanotubes	13
Chemoproteomics identifies protein ligands for monoacylglycerol lipids	13
NIR light-activated nanocomposites combat biofilm formation and enhance antibacterial efficacy for improved wound healing	13
Structure-based design of a dual-warhead covalent inhibitor of FGFR4	13
Sequence-based prediction of condensate composition reveals that specificity can emerge from multivalent interactions among disordered regions	13
Emergence of conformational diversity and complexity of supramolecular structure by the interaction of a simple molecule with a uniform surface	13
Computational investigation of hysteresis and phase equilibria of n-alkanes in a metal-organic framework with both micropores and mesopores	13
Prediction of heptagonal bipyramidal nonacoordination in highly viable [OB-M©B7O7-BO]− (M = Fe, Ru, Os) complexes	13
Quantification and description of photothermal heating effects in plasmon-assisted electrochemistry	13