Communications Chemistry

Article	Citations
Celebrating 5 years of Communications Chemistry	287
Queer in Chem: Q&A with Professor Nancy Williams	179
ATP and small amphiphilic molecules act as molecular matchmakers to fine-tune FET protein clusters	159
Bridging electron and nuclear motions in chemical reactions through electrostatic forces from reactive orbitals	157
Verification of preparations of (1H-indol-3-yl)methyl electrophiles and development of their microflow rapid generation and substitution	139
Advancing lignin analytics via elucidation of linkage progressions in lignin populations	138
Oxygen transfer reaction of haloalkyl amides catalyzed by phenylboronic acid	105
Rovibrational dynamics of the quasistructural N2 dimer	101
Appearance and suppression of Turing patterns under a periodically forced feed	97
BioStruct-Africa’s capacity building workshops as a model for advancing the emerging community of structural biologists in Africa	94
Simulating the structural phase transitions of metal-organic frameworks with control over the volume of nanocrystallites	94
Phosphinothio(seleno)ation of alkynes/olefins and application on the late-stage functionalization of natural products	91
A rare peptide scaffold in kineomicins, the glycopeptide antibiotics produced by Actinokineospora auranticolor DSM 44650	84
Electrochemical heteroarylation and amidation of alkanes using activated glassy carbon electrodes without mediators	81
Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF3– complexes	76
Allosteric regulation of enzymatic catalysis by molecular crowding	72
Angular orientation between the cores of iron oxide nanoclusters controls their magneto–optical properties and magnetic heating functions	72
Alginate cryogel beads for effectively aggregating nanoplastics for water remediation	71
Precursor-free synthesis of carbon quantum dots and carbon microparticles in supercritical acetone	69
Structure-based discovery of forsythoside A as an effective inhibitor to reduce the neurotoxicity of amyloid β	67
Assignment of individual structures from intermetalloid nickel gallium cluster ensembles	66
Near-infrared hyperspectral imaging to map collagen content in prehistoric bones for radiocarbon dating	65
The rise of data repositories in materials chemistry	64
Enabling systemic identification and functionality profiling for Cdc42 homeostatic modulators	62
Non-isocyanate polyurethanes synthesized from terpenes using thiourea organocatalysis and thiol-ene-chemistry	61

Hot carriers from intra- and interband transitions in gold-silver alloy nanoparticles	61
Modulation of biomolecular condensation of alpha-synuclein variants by eprodisate	57
Spatiotemporal control of translation in live zebrafish embryos via photoprotected mRNAs	56
Phosphorylation of nucleosides by P-N bond species generated from prebiotic reduced phosphorus sources	55
Release of nanodiscs from charged nano-droplets in the electrospray ionization revealed by molecular dynamics simulations	55
Mechanistic insight into the dynamics of Mur ligase through a comprehensive timescale-specific approach	54
Tuning the electronic states of Pd(II) defect-engineered metal-organic framework catalysts for efficient conversion of isocyanides	54
Semi-synthesis of TDP-43 reveals the effects of phosphorylation in N-terminal domain on self-association	53
Photoluminescence of the Au38(SR)26 nanocluster comprises three radiative processes	51
Inferring residue level hydrogen deuterium exchange with ReX	51
A network medicine framework for multi-modal data integration in therapeutic target discovery	50
Electrochemical carbonyl reduction on single-site M–N–C catalysts	49
Multi-responsive chitosan-based hydrogels for controlled release of vincristine	48
Structural annotation of unknown molecules in a miniaturized mass spectrometer based on a transformer enabled fragment tree method	48
Identifying viable synthetic routes from side channels in automated reaction-path searches	47
Leveraging infrared spectroscopy for automated structure elucidation	46
The role of oxygen vacancies in the electronic and optical properties of κ-Ga2O3	44
Tailoring aggregation-induced emission in luminescent solar concentrators through controlled polymerization	44
Proteome-wide non-cleavable crosslink identification with MS Annika 3.0 reveals the structure of the C. elegans Box C/D complex	44
Narrowing the gap between machine learning scoring functions and free energy perturbation using augmented data	44
Enhanced enantioselectivity in halogen-bonding catalysis	43
Ultrafast probing of isotope-induced explicit symmetry breaking in ethylene	43
A recyclable stereoauxiliary aminocatalyzed strategy for one-pot synthesis of indolizine-2-carbaldehydes	43
Short-lived calcium carbonate precursors observed in situ via Bullet-dynamic nuclear polarization	42
2022 Editors’ Highlights	42
Ganglioside GM1 slows down Aβ(1-42) aggregation by a primary nucleation inhibitory mechanism that is modulated by sphingomyelin and cholesterol	41
Enhanced interfacial water dissociation on a hydrated iron porphyrin single-atom catalyst in graphene	41
Species-specific lipophilicities of fluorinated diketones in complex equilibria systems and their potential as multifaceted reversible covalent warheads	40
Synthesis of ultra-high molecular weight homo- and copolymers via an ultrasonic emulsion process with a fast rate	40
Determining hexavalent chromium transport properties in alkaline nuclear waste using nuclear magnetic resonance spectroscopy	40
An iridium(III) complex-based luminogenic probe for high-throughput screening of hydrogen sulfide donors in living cells	40
Simplifying glycan monitoring of complex antigens such as the SARS-CoV-2 spike to accelerate vaccine development	40
Systematic metabolite screening identifies functional regulators of the adenosine A2A receptor	39
Enhanced sensitivity to odors due to chemosignals associated with anxiety	39
Effects of multi-functional additives during foam extrusion of wheat gluten materials	38
Real-time inline-IR-analysis via linear-combination strategy and machine learning for automated reaction optimization	38
The ADePT framework for assessing autonomous laboratory robotics	37
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	37
Surface modifications of eight-electron palladium silver superatomic alloys	37
DigFrag as a digital fragmentation method used for artificial intelligence-based drug design	37
Experimentally validated deep learning control of protein aggregation	36
A screening strategy for vinyl acetate materials for solid-phase microextraction based on dynamic vapor sorption	36
Cyanine dyes in the mitochondria-targeting photodynamic and photothermal therapy	36
Homogeneous catalysis in continuous flow integrating photocatalysis, electrocatalysis, and automation technologies	36
Variational autoencoder-based chemical latent space for large molecular structures with 3D complexity	35
Design of asymmetric electrolytes for aqueous zinc batteries	35
Advancing protein engineering via organic chemistry	35
Standardizing critical current density measurements in lithium garnets	35
MS-RIDD paves the way toward routine double bond localization in mass spectrometry-based lipidomics	34
One-dimensional CrI3 encapsulated within multi-walled carbon nanotubes	34

Nanohybrids of atomically precise metal nanoclusters	33
A personal account of contributions to equity, diversity and inclusion within the Canadian chemistry community	33
Selective manipulation of L-cysteine crystal polymorphs using focused laser beams	33
Paper-based electrochemical device for early detection of integrin αvβ6 expressing tumors	32
Transaminase-catalysis to produce trans-4-substituted cyclohexane-1-amines including a key intermediate towards cariprazine	32
Topologically-crosslinked hydrogels based on γ-cyclodextrins	32
Water-compatible dynamic covalent bonds based on a boroxine structure	31
Chemical- and photo-activation of protein-protein thiol-ene coupling for protein profiling	31
Synthetic studies on the tetrasubstituted D-ring of cystobactamids lead to potent terephthalic acid antibiotics	31
Synthesis and luminescence properties of substituted benzils	31
Queer in Chem: Q&A with Dr Camille Bishop	30
Rational engineering of a thermostable α-oxoamine synthase biocatalyst expands the substrate scope and synthetic applicability	30
Deconstructing allostery by computational assessment of the binding determinants of allosteric PTP1B modulators	30
Author Correction: A fluorogenic, peptide-based probe for the detection of Cathepsin D in macrophages	30
Counteranion-induced structural isomerization of phosphine-protected PdAu8 and PtAu8 clusters	30
Foldamers controlled by functional triamino acids: structural investigation of α/γ-hybrid oligopeptides	30
Synthesis and structural analysis of dinucleotides containing 2′,3′-trans-bridged nucleic acids with trans-5,6- or 5,7-fused ring skeleton	30
A van der Waals porous crystal featuring conformational flexibility and permanent porosity for ultrafast water release	29
Generating knotted polymer and protein structures by machine learning	29
Human O-GlcNAcase catalytic-stalk dimer anchors flexible histone binding domains	29
Versatile phosphonium-catechol dispersant for inorganic nanoparticle stability across diverse media and manufacturing processes	29
Enantioselective sensing driven by the interplay of point, helical and planar chirality in pillar[5]arene Pseudo[1]catenanes	29
Convex Hartree–Fock theory for modeling ground state conical intersections	29
Development of Gold coated calcium peroxide nanoparticles for photothermal ferroptosis against skin cancer and C. albicans	29
Retrosynthetic planning with experience-guided Monte Carlo tree search	29
Isolation, (bio)synthetic studies and evaluation of antimicrobial properties of drimenol-type sesquiterpenes of Termitomyces fungi	29
Membrane-based nanopurification for plastic recycling	29
A biomimetic phosphor that can build a rigid microenvironment for its long-lived afterglow in aqueous medium	28
Molecular optimization using a conditional transformer for reaction-aware compound exploration with reinforcement learning	28
Role of formaldehyde in promoting aromatic selectivity during methanol conversion over gallium-modified zeolites	28
Engineering of acyl ligase domain in non-ribosomal peptide synthetases to change fatty acid moieties of lipopeptides	28
Van Krevelen diagrams based on machine learning visualize feedstock-product relationships in thermal conversion processes	28
Bioorthogonal peptide nucleic acids with five-membered rings	28
Design of linear and cyclic peptide binders from protein sequence information	28
Stereoselective polar radical crossover for the functionalization of strained-ring systems	28
Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors	28
Acceptorless cross-dehydrogenative coupling for C(sp3)-H heteroarylation mediated by a heterogeneous GaN/ketone photocatalyst/photosensitizer system	27
An integrated workflow for the structure elucidation of nanocrystalline powders	27
Order–order assembly transition-driven polyamines detection based on iron−sulfur complexes	27
Expanding on the ability of trivalent actinides to support microbial alcohol metabolism in evolved methylotrophic bacterium	27
Elastin-like polypeptide coacervates as reversibly triggerable compartments for synthetic cells	27
Interface potential-induced natural antioxidant mimic system for the treatment of Alzheimer’s disease	27
Cancer-linked aggregation of p53 is driven by sequence-encoded frustration, solvation, and hydrophobic gating absent in its paralogs	26
Resolving protein condensates and aggregates in vivo by boxcar-enhanced Fluorescence-detected mid-Infrared photothermaL Microscopy (FILM)	26
Self-emergent vortex flow of microtubule and kinesin in cell-sized droplets under water/water phase separation	26
Spitrobot-2 advances time-resolved cryo-trapping crystallography to under 25 ms	26
Access to fluorochemicals directly from fluorspar	26
A bioinformatics approach to design minimal biomimetic metal-binding peptides	26
Sulfated prism[6]arene as a water-soluble host for molecular recognition of dye pollutants in aqueous environments	26
G2Retro as a two-step graph generative models for retrosynthesis prediction	26
Organic phosphorescence in Pt(II)-complexes linked to organic chromophores for blue-emitting organic light-emitting diodes	25
ATP induces folding of ALS-causing C71G-hPFN1 and nascent hSOD1	25
Nanocluster intermediates orchestrate the phase transition of ATP condensates	25
Women in Chemistry: Q&A with Professor Malika Jeffries-EL	25
Multimodal deep learning integration of cryo-EM and AlphaFold3 for high-accuracy protein structure determination	25
Design of Mn(1,4-DO2A) derivatives as stable and inert contrast agents for magnetic resonance imaging	25
ZrO2-enhanced Ni@C catalysts for the selective hydrogenation of maleic anhydride to γ-butyrolactone	25
Superflux of an organic adlayer towards its local reactive immobilization	25
Regulation of enzymatic reactions by chemical composition of peptide biomolecular condensates	25
Self-assembly of stabilized droplets from liquid–liquid phase separation for higher-order structures and functions	25
High-throughput solid microsampling through stochastic robotic automation	25
Women in chemistry: Q&A with Professor Carolina Horta Andrade	25
Prebiotic chemical origin of biomolecular complementarity	24
Real-time visualisation of fast nanoscale processes during liquid reagent mixing by liquid cell transmission electron microscopy	24
Author Correction: Interdisciplinary development of an overall process concept from glucose to 4,5-dimethyl-1,3-dioxolane via 2,3-butanediol	24
Development of a quadruple-conjugated carbon dot nanomodel for targeted glioma therapy	24
Analysis of chemical exchange in iridium N-heterocyclic carbene complexes using heteronuclear parahydrogen-enhanced NMR	24
Author Correction: Structural phase transition in NH4F under extreme pressure conditions	24
Metastable phase-separated droplet generation and long-time DNA enrichment by laser-induced Soret effect	24
Conformational plasticity and allosteric communication networks explain Shelterin protein TPP1 binding to human telomerase	23
Structure characterization with NMR molecular networking	23
Self-cyclisation as a general and efficient platform for peptide and protein macrocyclisation	23
A continuum of amorphous ices between low-density and high-density amorphous ice	23
Measurement of phospholipid lateral diffusion at high pressure by in situ magic-angle spinning NMR spectroscopy	23
Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks	23
Development of ketalized unsaturated saccharides as multifunctional cysteine-targeting covalent warheads	23
Structural and functional investigations of syn-copalyl diphosphate synthase from Oryza sativa	22
Structural mechanisms behind the neutralisation of long-chain α-neurotoxins by broadly neutralising VHHs discovered using a consensus antigen	22
An open-source molecular builder and free energy preparation workflow	22
Backbone-mediated weakening of pairwise interactions enables percolation in peptide-based mimics of protein condensates	22

A spirocyclic backbone accesses new conformational space in an extended, dipole-stabilized foldamer	22
Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography	22
Membrane electrode assembly design to prevent CO2 crossover in CO2 reduction reaction electrolysis	21
An algorithmic framework for full-order physics-based simulations of electrochemical impedance spectroscopy	21
Ultra-low field 13C MRI of hyperpolarized pyruvate	21
Double Z-scheme biochar-based g-C3N4/Bi2WO6/Ag3PO4 nanocomposite for efficient removal of antibiotics and synergistic mechanisms	21
Total synthesis of a structurally complex zwitterionic hexasaccharide repeating unit of polysaccharide B from Bacteroides fragilis via one-pot glycosylation	21
Unraveling the phase diagram-ion transport relationship in aqueous electrolyte solutions and correlating conductivity with concentration and temperature by semi-empirical modeling	21
DigiChemTree enables programmable light-induced carbene generation for on demand chemical synthesis	21
Theoretical framework for mixed-potential-driven catalysis	21
AI-assisted fragment-based drug discovery of SARS-CoV-2 macrodomain binders validated by NMR and X-ray crystallography	21
Origin of the ionic-strength dependent reentrant behavior in the liquid-liquid phase separation of uncharged intrinsically disordered proteins	21
Hydrogen and helium trapping in hcp beryllium	21
Utilizing surface water adsorption on layered MnO2 nanosheets for enhancing heat storage performance	21
A combined computational and experimental approach to revisit the Butlerov reaction	21
Evaluating the use of absolute binding free energy in the fragment optimisation process	21
Gene conversion-associated successive engineering of modular polyketide synthases	21
Exploring the structure and dynamics of peptide nanodiscs through a synergistic approach with NMR spectroscopy, SAS and MD simulations	21
Substrate scope expansion of 4-phenol oxidases by rational enzyme selection and sequence-function relations	20
Grain Boundary-Facilitated CO2/CH4 Replacement in Gas Hydrates	20
Comparative evaluation of Olink Explore 3072 and mass spectrometry with peptide fractionation for plasma proteomics	20
Metal ions affect abiotic sugar oligomerization reactions	20
Leveraging Lewis acid catalysis for cascade construction of multisubstituted furans from active methylenes and 3-oxetanone	20
18-membered macrocycle appended on resin for selective rare earth element extraction and separation	20
Generic and accurate prediction of retention times in liquid chromatography by post–projection calibration	20
A large language model for deriving spectral embeddings for accurate compound identification in mass spectrometry	20
A comparative study of machine learning models on molecular fingerprints for odor decoding	20
An archaeal lid-containing feruloyl esterase degrades polyethylene terephthalate	20
2024 Editors’ Highlights	19
Author Correction: Factors affecting irreversible inhibition of EGFR and influence of chirality on covalent binding	19
Deviatoric stress-induced metallization, layer reconstruction and collapse of van der Waals bonded zirconium disulfide	19
Direct structural observation of ultrafast photoisomerization dynamics in sinapate esters	19
Dinuclear and tetranuclear group 10 metal complexes constructed from linear tetrasilane comprising both Si-H and Si-Si moieties	19
Bridging the incompatibility gap in dual asymmetric catalysis over a thermoresponsive hydrogel-supported catalyst	19
Defect dipole alignment mediated by poling for simultaneous optimization of piezoelectricity and carrier concentration in piezocatalysts	19
Dynamic yet well-defined organization of the FUS RGG3 dense phase	19
Modelling the structural evolution, electronic structures and optical properties of Sc6Sen0/- (n = 1–12) clusters	19
Women in chemistry: Q&A with Professor Hyunjoo Lee	19
Formaldehyde reacts with N-terminal proline residues to give bicyclic aminals	19
Generation of DNA oligomers with similar chemical kinetics via in-silico optimization	19
Transition metal-free visible light photoredox-catalyzed remote C(sp3)−H borylation enabled by 1,5-hydrogen atom transfer	19
Regulating photosalient behavior in dynamic metal-organic crystals	19
Site-selective chlorination of pyrrolic heterocycles by flavin dependent enzyme PrnC	18
Identifying G-quadruplex-interacting proteins in cancer-related gene promoters	18
Oxygen reduction kinetics of high performance BaCo0.4Fe0.4M0.1Y0.1O3-δ (M = Mg, Zr) positrode for protonic ceramic fuel cells	18
Stepwise on-surface synthesis of nitrogen-doped porous carbon nanoribbons	18
Testing functional anchor groups for the efficient immobilization of molecular catalysts on silver surfaces	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
Light-switchable enzyme-mimetic organocatalysis in water via supramolecular assembly	18
Synthesis, biological evaluation and clinical trials of Cereblon-based PROTACs	17
Direct probing of low-energy intra d-band transitions in gas-phase cobalt clusters	17
Structural and mechanistic profiling of Nurr1 modulation by vidofludimus enables structure-guided ligand design	17
Experimental evidence of kinetically driven mechanisms for soot inception	17
Electrochemical Ferrier rearrangement of glycals in flow	17
Isoaspartate-containing galanin in rat hypothalamus	17
Author Correction: Development of Gold coated calcium peroxide nanoparticles for photothermal ferroptosis against skin cancer and C. albicans	17
Long and isolated graphene nanoribbons by on-surface polymerization on Au(111)	17
Convergence and equilibrium in molecular dynamics simulations	17
Electrodeposition of porous metal-organic frameworks for efficient charge storage	17
Ortho-functionalized pyridinyl-tetrazines break the inverse correlation between click reactivity and cleavage yields in click-to-release chemistry	17
Frontal polymerization-triggered simultaneous ring-opening metathesis polymerization and cross metathesis affords anisotropic macroporous dicyclopentadiene cellulose nanocrystal foam	17
Rotaxanes with a photoresponsive macrocycle modulate the lipid bilayers of large and giant unilamellar vesicles	17
Formal [4 + 2] combined ionic and radical approach of vinylogous enaminonitriles to access highly substituted sulfonyl pyridazines	17
Copper-catalyzed intermolecular formal (5 + 1) annulation of 1,5-diynes with 1,2,5-oxadiazoles	17
Catenane organocatalyst breaks the linear scaling limitation through conformational selection	17
Publisher Correction: Effect of additives on the high-temperature performance of a sodium bis(oxalato)borate in triethyl phosphate electrolyte in sodium-ion batteries	17
Open questions on liquid–liquid phase separation	17
Effect of aliovalent bismuth substitution on structure and optical properties of CsSnBr3	17
Unveiling the role of dark states in dynamic control of azopyrrole photoisomerization by light-matter interaction	17
A stable and strongly ferromagnetic Fe17O10– cluster with an accordion-like structure	17
XFEL crystallography reveals catalytic cycle dynamics during non-native substrate oxidation by cytochrome P450BM3	17
1,3a,6a-Triazapentalene derivatives as photo-induced cytotoxic small fluorescent dyes	17
Development of a 1H qNMR method for the identification and quantification of monosaccharides in dietary fibre fractions	17
Self-healing ion blocking via adaptive surface fluorination of graphene lamellas	16
Chromatin inspired bio-condensation between biomass DNA and guanosine monophosphate produces all-nucleic hydrogel as a hydrotropic drug carrier	16
Using surface plasmon resonance, capillary electrophoresis and diffusion-ordered NMR spectroscopy to study drug release kinetics	16
Impact of stack pressure on coulometric titration time analysis	16
Stereochemical engineering yields a multifunctional peptide macrocycle inhibitor of Akt2 by fine-tuning macrocycle-cell membrane interactions	16
A genetically encoded BRET-based SARS-CoV-2 Mpro protease activity sensor	16
TransPeakNet for solvent-aware 2D NMR prediction via multi-task pre-training and unsupervised learning	16
Directed synthesis of N1/N3-histidine modified by 2-hydroxyethylthioethyl and identification in sulfur mustard-exposed plasma	16
Multinuclear uranium-nitrogen cluster formation from exploration of organouranium-ammonolysis	16
The ability of trimethylamine N-oxide to resist pressure induced perturbations to water structure	16
The Goldilocks paradigm: comparing classical machine learning, large language models, and few-shot learning for drug discovery applications	16
Real-time 31P NMR reveals different gradient strengths in polyphosphoester copolymers as potential MRI-traceable nanomaterials	16
Oligomers mediate the spatial transmission of Aβ peptide aggregation	16
Blinking characteristics of organic fluorophores for blink-based multiplexing	16
Large language model guided automated reaction pathway exploration	16
Assessing crystallisation behaviour in molecular crystals through particle rugosities	16
Surface engineering of zinc phthalocyanine organic thin-film transistors results in part-per-billion sensitivity towards cannabinoid vapor	16
Chiral phosphoric acid-catalyzed enantioselective phosphinylation of 3,4-dihydroisoquinolines with diarylphosphine oxides	16
Stabilization of a miniprotein fold by an unpuckered proline surrogate	16
London dispersion forces and steric effects within nanocomposites tune interaction energies and chain conformation	16
Selective cellulose fibril release from hardwoods libriform tissue	16