Communications Chemistry

Article	Citations
Celebrating 5 years of Communications Chemistry	251
Queer in Chem: Q&A with Professor Nancy Williams	143
Release of nanodiscs from charged nano-droplets in the electrospray ionization revealed by molecular dynamics simulations	135
A rare peptide scaffold in kineomicins, the glycopeptide antibiotics produced by Actinokineospora auranticolor DSM 44650	134
Inferring residue level hydrogen deuterium exchange with ReX	128
ATP and small amphiphilic molecules act as molecular matchmakers to fine-tune FET protein clusters	128
Spatiotemporal control of translation in live zebrafish embryos via photoprotected mRNAs	97
Semi-synthesis of TDP-43 reveals the effects of phosphorylation in N-terminal domain on self-association	88
Oxygen transfer reaction of haloalkyl amides catalyzed by phenylboronic acid	86
In situ analysis of the bulk and surface chemical compositions of organic aerosol particles	79
Hot carriers from intra- and interband transitions in gold-silver alloy nanoparticles	79
Near-infrared hyperspectral imaging to map collagen content in prehistoric bones for radiocarbon dating	75
Precursor-free synthesis of carbon quantum dots and carbon microparticles in supercritical acetone	75
Mechanistic insight into the dynamics of Mur ligase through a comprehensive timescale-specific approach	72
Leveraging infrared spectroscopy for automated structure elucidation	72
Rovibrational dynamics of the quasistructural N2 dimer	68
Appearance and suppression of Turing patterns under a periodically forced feed	65
Allosteric regulation of enzymatic catalysis by molecular crowding	62
Simulating the structural phase transitions of metal-organic frameworks with control over the volume of nanocrystallites	62
Non-isocyanate polyurethanes synthesized from terpenes using thiourea organocatalysis and thiol-ene-chemistry	61
Electrochemical carbonyl reduction on single-site M–N–C catalysts	60
Assignment of individual structures from intermetalloid nickel gallium cluster ensembles	59
Alginate cryogel beads for effectively aggregating nanoplastics for water remediation	58
Angular orientation between the cores of iron oxide nanoclusters controls their magneto–optical properties and magnetic heating functions	55
Electrochemical heteroarylation and amidation of alkanes using activated glassy carbon electrodes without mediators	55

Structural annotation of unknown molecules in a miniaturized mass spectrometer based on a transformer enabled fragment tree method	54
Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF3– complexes	53
Bridging electron and nuclear motions in chemical reactions through electrostatic forces from reactive orbitals	50
Enabling systemic identification and functionality profiling for Cdc42 homeostatic modulators	49
Proteome-wide non-cleavable crosslink identification with MS Annika 3.0 reveals the structure of the C. elegans Box C/D complex	49
BioStruct-Africa’s capacity building workshops as a model for advancing the emerging community of structural biologists in Africa	48
The role of oxygen vacancies in the electronic and optical properties of κ-Ga2O3	47
Photoluminescence of the Au38(SR)26 nanocluster comprises three radiative processes	46
The rise of data repositories in materials chemistry	46
Tuning the electronic states of Pd(II) defect-engineered metal-organic framework catalysts for efficient conversion of isocyanides	45
Tailoring aggregation-induced emission in luminescent solar concentrators through controlled polymerization	45
Verification of preparations of (1H-indol-3-yl)methyl electrophiles and development of their microflow rapid generation and substitution	43
Structure-based discovery of forsythoside A as an effective inhibitor to reduce the neurotoxicity of amyloid β	43
Phosphinothio(seleno)ation of alkynes/olefins and application on the late-stage functionalization of natural products	42
Narrowing the gap between machine learning scoring functions and free energy perturbation using augmented data	42
Advancing lignin analytics via elucidation of linkage progressions in lignin populations	41
Multi-responsive chitosan-based hydrogels for controlled release of vincristine	41
Phosphorylation of nucleosides by P-N bond species generated from prebiotic reduced phosphorus sources	41
Enhanced enantioselectivity in halogen-bonding catalysis	39
Ultrafast probing of isotope-induced explicit symmetry breaking in ethylene	39
Enhanced interfacial water dissociation on a hydrated iron porphyrin single-atom catalyst in graphene	38
Short-lived calcium carbonate precursors observed in situ via Bullet-dynamic nuclear polarization	38
Real-time inline-IR-analysis via linear-combination strategy and machine learning for automated reaction optimization	38
Surface modifications of eight-electron palladium silver superatomic alloys	38
2022 Editors’ Highlights	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
Simplifying glycan monitoring of complex antigens such as the SARS-CoV-2 spike to accelerate vaccine development	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
Standardizing critical current density measurements in lithium garnets	36
Systematic metabolite screening identifies functional regulators of the adenosine A2A receptor	36
Enhanced sensitivity to odors due to chemosignals associated with anxiety	36
A recyclable stereoauxiliary aminocatalyzed strategy for one-pot synthesis of indolizine-2-carbaldehydes	35
Determining hexavalent chromium transport properties in alkaline nuclear waste using nuclear magnetic resonance spectroscopy	35
Design of asymmetric electrolytes for aqueous zinc batteries	35
DigFrag as a digital fragmentation method used for artificial intelligence-based drug design	35
Homogeneous catalysis in continuous flow integrating photocatalysis, electrocatalysis, and automation technologies	35
One-dimensional CrI3 encapsulated within multi-walled carbon nanotubes	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
Species-specific lipophilicities of fluorinated diketones in complex equilibria systems and their potential as multifaceted reversible covalent warheads	34
Synthesis of ultra-high molecular weight homo- and copolymers via an ultrasonic emulsion process with a fast rate	33
A personal account of contributions to equity, diversity and inclusion within the Canadian chemistry community	33
Variational autoencoder-based chemical latent space for large molecular structures with 3D complexity	33
The ADePT framework for assessing autonomous laboratory robotics	33
Ganglioside GM1 slows down Aβ(1-42) aggregation by a primary nucleation inhibitory mechanism that is modulated by sphingomyelin and cholesterol	33
MS-RIDD paves the way toward routine double bond localization in mass spectrometry-based lipidomics	33
Membrane-based nanopurification for plastic recycling	32
A biomimetic phosphor that can build a rigid microenvironment for its long-lived afterglow in aqueous medium	32
Paper-based electrochemical device for early detection of integrin αvβ6 expressing tumors	32

Queer in Chem: Q&A with Dr Camille Bishop	31
Chemical- and photo-activation of protein-protein thiol-ene coupling for protein profiling	31
Transaminase-catalysis to produce trans-4-substituted cyclohexane-1-amines including a key intermediate towards cariprazine	31
A van der Waals porous crystal featuring conformational flexibility and permanent porosity for ultrafast water release	30
Isolation, (bio)synthetic studies and evaluation of antimicrobial properties of drimenol-type sesquiterpenes of Termitomyces fungi	30
Role of formaldehyde in promoting aromatic selectivity during methanol conversion over gallium-modified zeolites	30
Foldamers controlled by functional triamino acids: structural investigation of α/γ-hybrid oligopeptides	29
Convex Hartree–Fock theory for modeling ground state conical intersections	29
Counteranion-induced structural isomerization of phosphine-protected PdAu8 and PtAu8 clusters	29
Author Correction: A fluorogenic, peptide-based probe for the detection of Cathepsin D in macrophages	29
Versatile phosphonium-catechol dispersant for inorganic nanoparticle stability across diverse media and manufacturing processes	29
Expanding on the ability of trivalent actinides to support microbial alcohol metabolism in evolved methylotrophic bacterium	29
Selective manipulation of L-cysteine crystal polymorphs using focused laser beams	28
Enantioselective sensing driven by the interplay of point, helical and planar chirality in pillar[5]arene Pseudo[1]catenanes	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
Synthesis and luminescence properties of substituted benzils	28
Human O-GlcNAcase catalytic-stalk dimer anchors flexible histone binding domains	28
Stereoselective polar radical crossover for the functionalization of strained-ring systems	28
Rational engineering of a thermostable α-oxoamine synthase biocatalyst expands the substrate scope and synthetic applicability	27
Topologically-crosslinked hydrogels based on γ-cyclodextrins	27
Synthetic studies on the tetrasubstituted D-ring of cystobactamids lead to potent terephthalic acid antibiotics	27
Engineering of acyl ligase domain in non-ribosomal peptide synthetases to change fatty acid moieties of lipopeptides	27
Van Krevelen diagrams based on machine learning visualize feedstock-product relationships in thermal conversion processes	26
Deconstructing allostery by computational assessment of the binding determinants of allosteric PTP1B modulators	26
Water-compatible dynamic covalent bonds based on a boroxine structure	26
Retrosynthetic planning with experience-guided Monte Carlo tree search	26
Nanohybrids of atomically precise metal nanoclusters	26
Molecular optimization using a conditional transformer for reaction-aware compound exploration with reinforcement learning	26
Self-emergent vortex flow of microtubule and kinesin in cell-sized droplets under water/water phase separation	25
Development of Gold coated calcium peroxide nanoparticles for photothermal ferroptosis against skin cancer and C. albicans	25
G2Retro as a two-step graph generative models for retrosynthesis prediction	25
Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors	25
Design of linear and cyclic peptide binders from protein sequence information	25
A bioinformatics approach to design minimal biomimetic metal-binding peptides	25
Elastin-like polypeptide coacervates as reversibly triggerable compartments for synthetic cells	25
Access to fluorochemicals directly from fluorspar	24
Interface potential-induced natural antioxidant mimic system for the treatment of Alzheimer’s disease	24
ATP induces folding of ALS-causing C71G-hPFN1 and nascent hSOD1	24
Order–order assembly transition-driven polyamines detection based on iron−sulfur complexes	24
Acceptorless cross-dehydrogenative coupling for C(sp3)-H heteroarylation mediated by a heterogeneous GaN/ketone photocatalyst/photosensitizer system	24
An integrated workflow for the structure elucidation of nanocrystalline powders	24
Design of Mn(1,4-DO2A) derivatives as stable and inert contrast agents for magnetic resonance imaging	24
Nanocluster intermediates orchestrate the phase transition of ATP condensates	24
Organic phosphorescence in Pt(II)-complexes linked to organic chromophores for blue-emitting organic light-emitting diodes	24
Self-assembly of stabilized droplets from liquid–liquid phase separation for higher-order structures and functions	23
Regulation of enzymatic reactions by chemical composition of peptide biomolecular condensates	23
Women in chemistry: Q&A with Professor Carolina Horta Andrade	23
Membrane electrode assembly design to prevent CO2 crossover in CO2 reduction reaction electrolysis	23
Iridium-catalyzed enantioselective synthesis of chiral γ-amino alcohols and intermediates of (S)-duloxetine, (R)-fluoxetine, and (R)-atomoxetine	23
Women in Chemistry: Q&A with Professor Malika Jeffries-EL	23
Author Correction: Interdisciplinary development of an overall process concept from glucose to 4,5-dimethyl-1,3-dioxolane via 2,3-butanediol	23
Substrate scope expansion of 4-phenol oxidases by rational enzyme selection and sequence-function relations	23
Multimodal deep learning integration of cryo-EM and AlphaFold3 for high-accuracy protein structure determination	23
Spitrobot-2 advances time-resolved cryo-trapping crystallography to under 25 ms	23
Core-shell structure of LiMn2O4 cathode material reduces phase transition and Mn dissolution in Li-ion batteries	23
Author Correction: Structural phase transition in NH4F under extreme pressure conditions	23
Superflux of an organic adlayer towards its local reactive immobilization	23
Structural mechanisms behind the neutralisation of long-chain α-neurotoxins by broadly neutralising VHHs discovered using a consensus antigen	22
18-membered macrocycle appended on resin for selective rare earth element extraction and separation	22
A large language model for deriving spectral embeddings for accurate compound identification in mass spectrometry	22
Analysis of chemical exchange in iridium N-heterocyclic carbene complexes using heteronuclear parahydrogen-enhanced NMR	22
Development of a quadruple-conjugated carbon dot nanomodel for targeted glioma therapy	22
Gene conversion-associated successive engineering of modular polyketide synthases	22
An archaeal lid-containing feruloyl esterase degrades polyethylene terephthalate	22
Development of ketalized unsaturated saccharides as multifunctional cysteine-targeting covalent warheads	22
Structure characterization with NMR molecular networking	22
Theoretical framework for mixed-potential-driven catalysis	22
Utilizing surface water adsorption on layered MnO2 nanosheets for enhancing heat storage performance	22
Hydrogen and helium trapping in hcp beryllium	22
A spirocyclic backbone accesses new conformational space in an extended, dipole-stabilized foldamer	22
Measurement of phospholipid lateral diffusion at high pressure by in situ magic-angle spinning NMR spectroscopy	22
Double Z-scheme biochar-based g-C3N4/Bi2WO6/Ag3PO4 nanocomposite for efficient removal of antibiotics and synergistic mechanisms	22
Backbone-mediated weakening of pairwise interactions enables percolation in peptide-based mimics of protein condensates	21
Metastable phase-separated droplet generation and long-time DNA enrichment by laser-induced Soret effect	21
Prebiotic chemical origin of biomolecular complementarity	21
Real-time visualisation of fast nanoscale processes during liquid reagent mixing by liquid cell transmission electron microscopy	21
Self-cyclisation as a general and efficient platform for peptide and protein macrocyclisation	21
A comparative study of machine learning models on molecular fingerprints for odor decoding	20
Ultra-low field 13C MRI of hyperpolarized pyruvate	20
Conformational plasticity and allosteric communication networks explain Shelterin protein TPP1 binding to human telomerase	20

Comparative evaluation of Olink Explore 3072 and mass spectrometry with peptide fractionation for plasma proteomics	20
2024 Editors’ Highlights	20
An open-source molecular builder and free energy preparation workflow	20
Unraveling the phase diagram-ion transport relationship in aqueous electrolyte solutions and correlating conductivity with concentration and temperature by semi-empirical modeling	20
Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography	20
Total synthesis of a structurally complex zwitterionic hexasaccharide repeating unit of polysaccharide B from Bacteroides fragilis via one-pot glycosylation	20
Generic and accurate prediction of retention times in liquid chromatography by post–projection calibration	20
Women in chemistry: Q&A with Professor Hyunjoo Lee	20
A continuum of amorphous ices between low-density and high-density amorphous ice	20
DigiChemTree enables programmable light-induced carbene generation for on demand chemical synthesis	20
Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks	20
Evaluating the use of absolute binding free energy in the fragment optimisation process	20
Bridging the incompatibility gap in dual asymmetric catalysis over a thermoresponsive hydrogel-supported catalyst	20
Structural and functional investigations of syn-copalyl diphosphate synthase from Oryza sativa	20
Direct probing of low-energy intra d-band transitions in gas-phase cobalt clusters	19
Deviatoric stress-induced metallization, layer reconstruction and collapse of van der Waals bonded zirconium disulfide	19
Small-rotative fixed-target serial synchrotron crystallography (SR-FT-SSX) for molecular crystals	19
Post-polymerization modification enabling library synthesis of highly isotactic polyacrylamides carrying different pendant groups	19
Dinuclear and tetranuclear group 10 metal complexes constructed from linear tetrasilane comprising both Si-H and Si-Si moieties	19
Stepwise on-surface synthesis of nitrogen-doped porous carbon nanoribbons	19
Testing functional anchor groups for the efficient immobilization of molecular catalysts on silver surfaces	19
Transition metal-free visible light photoredox-catalyzed remote C(sp3)−H borylation enabled by 1,5-hydrogen atom transfer	19
Unveiling the role of dark states in dynamic control of azopyrrole photoisomerization by light-matter interaction	19
Generation of DNA oligomers with similar chemical kinetics via in-silico optimization	19
Dynamic yet well-defined organization of the FUS RGG3 dense phase	18
Experimental evidence of kinetically driven mechanisms for soot inception	18
Structural and mechanistic profiling of Nurr1 modulation by vidofludimus enables structure-guided ligand design	18
Ortho-functionalized pyridinyl-tetrazines break the inverse correlation between click reactivity and cleavage yields in click-to-release chemistry	18
Author Correction: Factors affecting irreversible inhibition of EGFR and influence of chirality on covalent binding	18
Identifying G-quadruplex-interacting proteins in cancer-related gene promoters	18
Regulating photosalient behavior in dynamic metal-organic crystals	18
Defect dipole alignment mediated by poling for simultaneous optimization of piezoelectricity and carrier concentration in piezocatalysts	18
Direct structural observation of ultrafast photoisomerization dynamics in sinapate esters	18
Site-selective chlorination of pyrrolic heterocycles by flavin dependent enzyme PrnC	18
Electrodeposition of porous metal-organic frameworks for efficient charge storage	17
Open questions on liquid–liquid phase separation	17
Frontal polymerization-triggered simultaneous ring-opening metathesis polymerization and cross metathesis affords anisotropic macroporous dicyclopentadiene cellulose nanocrystal foam	17
Copper-catalyzed intermolecular formal (5 + 1) annulation of 1,5-diynes with 1,2,5-oxadiazoles	17
Effect of aliovalent bismuth substitution on structure and optical properties of CsSnBr3	17
Formaldehyde reacts with N-terminal proline residues to give bicyclic aminals	17
Catenane organocatalyst breaks the linear scaling limitation through conformational selection	17
Directed synthesis of N1/N3-histidine modified by 2-hydroxyethylthioethyl and identification in sulfur mustard-exposed plasma	17
Synthesis, biological evaluation and clinical trials of Cereblon-based PROTACs	17
Oxygen reduction kinetics of high performance BaCo0.4Fe0.4M0.1Y0.1O3-δ (M = Mg, Zr) positrode for protonic ceramic fuel cells	17
Convergence and equilibrium in molecular dynamics simulations	17
Stabilization of a miniprotein fold by an unpuckered proline surrogate	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
Chiral phosphoric acid-catalyzed enantioselective phosphinylation of 3,4-dihydroisoquinolines with diarylphosphine oxides	16
Electrochemical Ferrier rearrangement of glycals in flow	16
London dispersion forces and steric effects within nanocomposites tune interaction energies and chain conformation	16
Rotaxanes with a photoresponsive macrocycle modulate the lipid bilayers of large and giant unilamellar vesicles	16
A stable and strongly ferromagnetic Fe17O10– cluster with an accordion-like structure	16
Oligomers mediate the spatial transmission of Aβ peptide aggregation	16
Stereochemical engineering yields a multifunctional peptide macrocycle inhibitor of Akt2 by fine-tuning macrocycle-cell membrane interactions	16
Decorating polymer beads with 1014 inorganic-organic [2]rotaxanes as shown by spin counting	16
Detection of the UV-vis silent biomarker trimethylamine-N-oxide via outer-sphere interactions in a lanthanide metal-organic framework	16
Development of a 1H qNMR method for the identification and quantification of monosaccharides in dietary fibre fractions	16
Long and isolated graphene nanoribbons by on-surface polymerization on Au(111)	16
Blinking characteristics of organic fluorophores for blink-based multiplexing	15
Multimode polariton effects on molecular energy transport and spectral fluctuations	15
TransPeakNet for solvent-aware 2D NMR prediction via multi-task pre-training and unsupervised learning	15
Post-spinel-type AB2O4 high-pressure phases in geochemistry and materials science	15
1,3a,6a-Triazapentalene derivatives as photo-induced cytotoxic small fluorescent dyes	15
A genetically encoded BRET-based SARS-CoV-2 Mpro protease activity sensor	15
Unraveling the mechanism of tip-enhanced molecular energy transfer	15
XFEL crystallography reveals catalytic cycle dynamics during non-native substrate oxidation by cytochrome P450BM3	15
Impact of stack pressure on coulometric titration time analysis	15
Isoaspartate-containing galanin in rat hypothalamus	15
Surface engineering of zinc phthalocyanine organic thin-film transistors results in part-per-billion sensitivity towards cannabinoid vapor	15
The Goldilocks paradigm: comparing classical machine learning, large language models, and few-shot learning for drug discovery applications	15
Real-time 31P NMR reveals different gradient strengths in polyphosphoester copolymers as potential MRI-traceable nanomaterials	15
Chromatin inspired bio-condensation between biomass DNA and guanosine monophosphate produces all-nucleic hydrogel as a hydrotropic drug carrier	15
Large language model guided automated reaction pathway exploration	15
The ability of trimethylamine N-oxide to resist pressure induced perturbations to water structure	15
Using surface plasmon resonance, capillary electrophoresis and diffusion-ordered NMR spectroscopy to study drug release kinetics	15
Formal [4 + 2] combined ionic and radical approach of vinylogous enaminonitriles to access highly substituted sulfonyl pyridazines	15
Author Correction: Development of Gold coated calcium peroxide nanoparticles for photothermal ferroptosis against skin cancer and C. albicans	15
Women in chemistry: Q&A with Professor Mónica H. Pérez-Temprano	15
Precision engineering of nano-assemblies in superfluid helium by the use of van der Waals forces	14
Catalytic thiolation-depolymerization-like decomposition of oxyphenylene-type super engineering plastics via selective carbon–oxygen main chain cleavages	14
A facile alternative strategy of upcycling mixed plastic waste into vitrimers	14
Unveiled reactivity of masked diformylmethane with enamines forming resonance-assisted hydrogen bonding leads to di-meta-substituted pyridines	14
Sequence-based prediction of condensate composition reveals that specificity can emerge from multivalent interactions among disordered regions	14
Role of decomposition products in the oxidation of cyclohexene using a manganese(III) complex	14
Selective emergence of photoluminescence at telecommunication wavelengths from cyclic perfluoroalkylated carbon nanotubes	14
NIR light-activated nanocomposites combat biofilm formation and enhance antibacterial efficacy for improved wound healing	14
Crosslinking, salt-induced aging, and secondary structure formation in Peptide-containing coacervates inspired by spider silk	14
Investigation of resonance-stabilized radicals associated with soot particle inception using advanced electron paramagnetic resonance techniques	14
Glycerol-based deep eutectic solvents for efficient and reversible iodine uptake from vapour phase	14
Competitive protein recruitment in artificial cells	14
Electrochemically grown porous platinum for electrocatalysis and optical applications	14
Mechanistic investigation of sustainable heme-inspired biocatalytic synthesis of cyclopropanes for challenging substrates	14
Predicting permeation of compounds across the outer membrane of P. aeruginosa using molecular descriptors	14
Binding pose depth modulates photoswitchable ligands’ efficacy at the 5-HT2A receptor	14
Impact of the metal core on the electrochemiluminescence of a pair of atomically precise Au20 nanocluster isomers	14