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Posts by Communications Chemistry

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Advancing protein engineering via organic chemistry Communications Chemistry, Published online: 18 April 2026; doi:10.1038/s42004-026-02033-3Selective protein functionalization remains difficult to achieve through conventional molecular biology approaches. Here, the authors summarize recent advances in chemical approaches to protein engineering and highlight their emerging applications in catalysis, functional studies, and therapeutic development.

Just out: Advancing protein engineering via organic chemistry

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Space filling shapes the interaction networks in mixed pyrrole-benzene trimers and tetramers Communications Chemistry, Published online: 17 April 2026; doi:10.1038/s42004-026-02027-1Mixed trimers of pyrrole (Py) and benzene (Bz) provide an ideal benchmark to probe the interplay between strong directional forces and diffuse dispersion contacts that governs structural preferences in molecular assemblies. Here, the authors characterize Py-(Bz)2 and (Py)2-Bz trimers and the (Py)2-(Bz)2 tetramer using chirped-pulse Fourier transform microwave spectroscopy combined with dispersion-corrected DFT calculations and intensity-based cross-correlation analysis, showing that the overall geometries are dictated by space-filling principles that maximize dispersion contacts.

Just out: Space filling shapes the interaction networks in mixed pyrrole-benzene trimers and tetramers

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A unified multi-scale deep learning framework for molecular property prediction that bridges molecular structures and fingerprinting Communications Chemistry, Published online: 17 April 2026; doi:10.1038/s42004-026-02010-wAccurate prediction of molecular properties is crucial for drug discovery, yet existing models often fail to integrate local and global molecular contexts effectively. Here, the authors present a unified multi-scale graph-fingerprint network (UMSGFNet) that enhances predictive performance and robustness by combining atom-level and substructure-level information.

Just out: A unified multi-scale deep learning framework for molecular property prediction that bridges molecular structures and fingerprinting

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Iron ion enables photocatalytic hydrogen evolution from methanol Communications Chemistry, Published online: 17 April 2026; doi:10.1038/s42004-026-02009-3The dehydrogenation of methanol using homogeneous or heterogeneous catalysts and photocatalysts has attracted considerable attention, as hydrogen production from alcohols represents a pivotal reaction for achieving carbon neutrality. Here, the authors report a photocatalytic system in which a ligand-free iron ion functions as the sole catalyst, promoting hydrogen evolution under UV light irradiation without the need for supporting ligands or noble metals, with similar turnover frequency compared to previously reported homogeneous catalysts.

Just out: Iron ion enables photocatalytic hydrogen evolution from methanol

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Unconventional atomic-level mechanism induced by a submerged saddle in the O(1D) + CH3OCH3 reaction Communications Chemistry, Published online: 16 April 2026; doi:10.1038/s42004-026-02018-2Elucidating the mechanisms of excited-state atom reactions with hydrocarbons and their derivatives is important for the study of interstellar and combustion chemistry, but the underlying pathways remain underexplored. Here, the authors focus on the O(1D) + CH3OCH3 reaction and show that an unusual submerged saddle results in O+H-C collision activation stereocyclization as opposed to O-insertion into C-H bonds, providing an alternative to the commonly accepted insertion mechanisms.

Just out: Unconventional atomic-level mechanism induced by a submerged saddle in the O(1D) + CH3OCH3 reaction

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Long-lived coherences for the observation of oxidation kinetics on different timescales by NMR Communications Chemistry, Published online: 16 April 2026; doi:10.1038/s42004-026-02002-wThe ability of nuclear magnetic resonance to probe biomolecular transformations on different time windows is essential for the non-invasive imaging of chemical and biochemical processes. Here, the authors show that long-lived coherences (LLC's) can facilitate the detection of biochemical processes on fast timescales and tracking of slow metabolic transformations in cells by using two-dimensional LLC to quantify the overexpression of glutathione (GSH) by immune B cells, and demonstrating a one-dimensional LLC method for recording multiple points of GSH oxidation kinetics within 15 seconds after a single excitation step.

Just out: Long-lived coherences for the observation of oxidation kinetics on different timescales by NMR

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Diversification of the 10th core atom of 9-cyanopyronins expands the resonance Raman vibrational palette Communications Chemistry, Published online: 16 April 2026; doi:10.1038/s42004-026-02019-1Rhodamine derivatives with different core atoms at the 10th position exhibit diverse optical properties for fluorescence imaging, however, the effect of the 10th core atom on vibrational properties remain largely underexplored. Here, the authors prepare 9-cyanopyronin derivatives in which the 10th core atom is substituted with group 13, 14, 15 or 16 elements and evaluate their properties as resonance Raman probes, performing live-cell three-color imaging using distinct patterns of C ≡ N or C = C bond vibrations together with different subcellular probe localization.

Just out: Diversification of the 10th core atom of 9-cyanopyronins expands the resonance Raman vibrational palette

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Divergent synthesis of γ-lactones and cyclopropanes via efficient [1 + 4] and [1 + 2] annulations of amide-sulfoxonium ylides Communications Chemistry, Published online: 16 April 2026; doi:10.1038/s42004-026-01972-1Functionalized γ-lactones and cyclopropanes with amide substituents are crucial in chemical and pharmacological processes, yet their synthesis poses significant challenges. Here, the authors introduce a high-throughput protocol using amide–sulfoxonium ylides for efficient annulation reactions, offering a versatile method with broad substrate scope and potential for complex molecule diversification, enhanced by machine learning predictions.

Just out: Divergent synthesis of γ-lactones and cyclopropanes via efficient [1 + 4] and [1 + 2] annulations of amide-sulfoxonium ylides

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Elucidating metal (Zr, Hf, Th, U)-hydride covalency using 1H NMR chemical shifts and density functional calculations Communications Chemistry, Published online: 15 April 2026; doi:10.1038/s42004-026-02021-7Metal–ligand covalency is not fully understood for the actinides and studies comparing group IV transition metals with isostructural actinide complexes are limited. Here, the authors report [(C5Me5)2(2,6-iPr2C6H3O)M(H)] (M = Hf, Th, and U) complexes and compare them to a Zr analogue, exploring the differences between transition metal and actinide bonding situations.

Just out: Elucidating metal (Zr, Hf, Th, U)-hydride covalency using 1H NMR chemical shifts and density functional calculations

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Enhanced radiation hardness of a copper iodine cluster framework scintillator using a bridging macrocyclic ligand with aggregation-induced emission properties Communications Chemistry, Published online: 15 April 2026; doi:10.1038/s42004-026-02017-3Copper iodide clusters, known for their exceptional X-ray luminescence and low toxicity, face challenges in stability and radiation hardness, limiting their practical applications. Here, the authors introduce a non-conjugated bridging macrocyclic ligand with aggregation-induced emission properties to enhance the radiation hardness of a copper iodine cluster framework, achieving high-performance X-ray imaging and offering a strategy for scintillator development.

Just out: Enhanced radiation hardness of a copper iodine cluster framework scintillator using a bridging macrocyclic ligand with aggregation-induced emission properties

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Sponge and sea slug partnership yields a new anticancer molecule with drug design promise Researchers identified jorumycidine, a new hexacyclic marine alkaloid from the nudibranch Jorunna funebris and its dietary sponge, Haliclona sp., and demonstrated that it exhibits potent nanomolar cyt...

A sea slug & its sponge prey have revealed jorumycidine: a unique 6-ring molecule with powerful anticancer effects 🧬🌊. Dive in: www.news-medical.net/news/2026040... #Cancer #DrugDiscovery #MarineScience @commschem.nature.com

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Lid loop-mediated proton transfer revealed in the Fe/αKG-dependent decarboxylase TraH Communications Chemistry, Published online: 14 April 2026; doi:10.1038/s42004-026-01986-9Fungal decarboxylases in the isopenicillin N synthase subfamily exhibit unique N- and C-terminal insertions, but the mechanistic roles of these elements remain largely elusive. Here, the authors report crystal structures of TraH in complex with various substrates, showing an N-terminal lid loop that undergoes substrate-dependent rearrangements, facilitating a distinct decarboxylation mechanism.

Just out: Lid loop-mediated proton transfer revealed in the Fe/αKG-dependent decarboxylase TraH

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Slug-flow microchannel enables efficient and controllable preparation of sensitive protein nanoparticles Communications Chemistry, Published online: 14 April 2026; doi:10.1038/s42004-026-02026-2Microreactors are valued for efficient mixing and precise control in nanoparticle synthesis; however, when encapsulating sensitive proteins and enzymes, conventional fluidic shear causes serious damage and activity loss. Here, the authors show that gas-liquid slug-flow microchannels provide efficient mixing, narrow residence time distribution, and suitable shear compared to single-phase flow microchannels, microstructured continuous stirred-tank reactors, and batch reactors, reporting a low PDI and productivity equivalent to 100 lab-scale batch reactors for the preparation of catalase nanocapsules.

Just out: Slug-flow microchannel enables efficient and controllable preparation of sensitive protein nanoparticles

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Electronic reconfiguration of Ru single atoms by carbon–confined Ru nanoparticles enables pH–universal hydrogen evolution Communications Chemistry, Published online: 13 April 2026; doi:10.1038/s42004-026-02012-8Achieving efficient and durable electrocatalysis for the hydrogen evolution reaction (HER) across a wide pH range remains a major challenge. Here, the authors use biomass-derived precursors to prepare a pH–universal HER electrocatalyst comprising atomically dispersed Ru sites and carbon–confined Ru nanoparticles that exhibits low overpotentials in both acidic and alkaline media, with operational stability exceeding 500 hours.

Just out: Electronic reconfiguration of Ru single atoms by carbon–confined Ru nanoparticles enables pH–universal hydrogen evolution

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Addendum: Versatile phosphonium-catechol dispersant for inorganic nanoparticle stability across diverse media and manufacturing processes Communications Chemistry, Published online: 13 April 2026; doi:10.1038/s42004-026-01959-yAddendum: Versatile phosphonium-catechol dispersant for inorganic nanoparticle stability across diverse media and manufacturing processes

Just out: Addendum: Versatile phosphonium-catechol dispersant for inorganic nanoparticle stability across diverse media and manufacturing processes

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Equilibrium shape and surface termination of supported magnetite nanoparticles Communications Chemistry, Published online: 11 April 2026; doi:10.1038/s42004-026-02008-4The equilibrium shape and surface termination of nanoparticles (NPs) determine the interfacial binding mechanisms at play during the synthesis of NP-based materials. Here, the authors combine experiments and ab initio thermodynamics and demonstrate that (111)-oriented magnetite NPs supported by Al2O3(0001) single-crystalline surfaces are bulk-truncated by Fe-terminated {111} and mixed-terminated {100} facets.

Just out: Equilibrium shape and surface termination of supported magnetite nanoparticles

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Interpretable machine learning uncovers structural determinants of Wnt-Wntless binding specificity from atomistic simulations Communications Chemistry, Published online: 11 April 2026; doi:10.1038/s42004-026-02013-7Variations in how Wnt proteins interact with the membrane protein Wntless (Wls) make it difficult to define binding principles across the Wnt family because of sequence divergence and differences in binding modes. Here, the authors combine molecular dynamics simulations with machine learning to reveal key residue interactions among the Wnt systems, offering insights into the Wnt–Wls binding specificity.

Just out: Interpretable machine learning uncovers structural determinants of Wnt-Wntless binding specificity from atomistic simulations

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The role of N-terminal acetylation on biomolecular condensation Communications Chemistry, Published online: 11 April 2026; doi:10.1038/s42004-026-01975-yN-terminal acetylation (Nt-acetylation) is one of the most prevalent co-translational modifications in eukaryotes, however, the potential impact of this phenomenon on biomolecular condensation remains underexplored. Here, using a Golgi-associated protein involved in stress-induced secretion in yeast, the authors show that Nt-acetylation reshapes condensate formation and suppresses water dipolar relaxation within condensates, leading to reduced internal hydration and environmental responsiveness.

Just out: The role of N-terminal acetylation on biomolecular condensation

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Origin of the ionic-strength dependent reentrant behavior in the liquid-liquid phase separation of uncharged intrinsically disordered proteins Communications Chemistry, Published online: 11 April 2026; doi:10.1038/s42004-026-02011-9Recent experiments have shown that largely uncharged intrinsically disordered proteins (IDPs) can undergo liquid-liquid phase separation (LLPS) at physiological salt concentration (~0.15 M), dissolve at increasing salt concentration (~1.0 M), and further exhibit LLPS at much higher salt concentration (~3.0 M). Here, the authors use analytical theory and explicit solvent coarse-grained molecular dynamics simulations to show that, with increasing ion concentration, condensate dissolution takes place due to a decrease in correlation length in the ionic plasma, with further LLPS at higher salt regimes resulting from entropy-driven crowding.

Just out: Origin of the ionic-strength dependent reentrant behavior in the liquid-liquid phase separation of uncharged intrinsically disordered proteins

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Alumina nanoparticle-induced decarbonation at subduction-zone conditions Communications Chemistry, Published online: 11 April 2026; doi:10.1038/s42004-026-02005-7Alumina (Al2O3)-bearing minerals are hosted in carbonate-rich sediments, potentially interacting with CaCO3 during subduction. Here, the authors study the influence of Al2O3 particle size on carbonate stability at 0.5–2.8 GPa and 350–1050 °C, showing that CaCO3 remains thermodynamically stable when coexisting with micron-sized Al2O3 and Al(OH)3, whereas Al2O3 nanoparticles trigger decarbonation, forming CaAl4O7, CO2, and trace graphite.

Just out: Alumina nanoparticle-induced decarbonation at subduction-zone conditions

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Degradable polymers via controlled alternating ring-opening metathesis copolymerization of bio-sourced oxa-norbornenes and 2,3-dihydrofuran Communications Chemistry, Published online: 11 April 2026; doi:10.1038/s42004-026-02016-4The polymer industry faces increasing pressure to reduce its environmental impact by developing sustainable bio-based alternatives. Here, the authors synthesize degradable copolymers from biomass-derived monomers using ring-opening metathesis polymerization, achieving controlled polymerization and predictable molecular weights.

Just out: Degradable polymers via controlled alternating ring-opening metathesis copolymerization of bio-sourced oxa-norbornenes and 2,3-dihydrofuran

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Women in chemistry: Q&A with Professor Nicola Gaston Communications Chemistry, Published online: 09 April 2026; doi:10.1038/s42004-026-01995-8Professor Nicola Gaston is the Director of the MacDiarmid Institute for Advanced Materials and Nanotechnology, a New Zealand Centre of Research Excellence, and a Professor in Physics at the University of Auckland, where her research group conducts quantum-mechanical simulations of the electronic and thermodynamic behaviour of nanoscale materials.

Just out: Women in chemistry: Q&A with Professor Nicola Gaston

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Exploring the structure and dynamics of peptide nanodiscs through a synergistic approach with NMR spectroscopy, SAS and MD simulations Communications Chemistry, Published online: 09 April 2026; doi:10.1038/s42004-026-02015-5Peptide nanodiscs hold potential for therapeutic applications, but their development is limited by insufficient structural and dynamical characterization methods. Here, the authors employ NMR, small-angle scattering, and molecular dynamics simulations to elucidate the structure and dynamics of peptide 22A-stabilized nanodiscs and its interactions with LCAT enzyme.

Just out: Exploring the structure and dynamics of peptide nanodiscs through a synergistic approach with NMR spectroscopy, SAS and MD simulations

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Structural and functional role of methylene linkers in self-coacervation-mediated membrane interaction and antiviral defense Communications Chemistry, Published online: 09 April 2026; doi:10.1038/s42004-026-01957-0Small-molecule-based self-coacervates exhibit tunable dynamic properties; however, liquid-liquid phase separation in such systems at low microcomolar concentrations remains underexplored. Here, the authors report the design and dynamic properties of flavonoid-based amphiphilic self-coacervates, the modulation of the critical coacervate concentration and membrane interactions to form domains — which order the membrane interface, inhibit membrane fusion, and could combat viral infections caused by enveloped viruses.

Just out: Structural and functional role of methylene linkers in self-coacervation-mediated membrane interaction and antiviral defense

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RAFT enables controlled radical ring-opening polymerisation of cyclic ketene acetals for degradable nanoparticles Communications Chemistry, Published online: 09 April 2026; doi:10.1038/s42004-026-01997-6The demand for biodegradable polymers in biomedicine and cosmetics drives interest in the radical ring-opening polymerisation (RROP) of cyclic ketene acetals (CKAs). Here, the authors demonstrate a controlled polymerisation method using RAFT to control the RROP of 2-methylene-1,3,6-trioxocane, enabling the creation of well-defined, fully biodegradable polymeric nanoparticles.

Just out: RAFT enables controlled radical ring-opening polymerisation of cyclic ketene acetals for degradable nanoparticles

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Solid phosphate buffers boost CO2 capture performance and enable energy-lean operation in amine-functionalized adsorbents Communications Chemistry, Published online: 09 April 2026; doi:10.1038/s42004-026-02014-6Amine-functionalized solid adsorbents are promising materials for efficient CO2 capture, but their practical deployment is constrained by challenges in balancing CO2 adsorption capacity, adsorption kinetics and regeneration energy efficiency. Here, the authors show that incorporating sodium dihydrogen phosphate into tetraethylenepentamine-functionalized mesoporous silica gel (HP-TEPA/MSG) results in atomic-scale proton transfer networks that accelerate proton shuttling during adsorption-desorption cycles, resulting in a higher CO2 capacity, faster adsorption kinetics and a lower regeneration energy.

Just out: Solid phosphate buffers boost CO2 capture performance and enable energy-lean operation in amine-functionalized adsorbents

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Rapid elongation drives the exceptionally fast aggregation of the most common localized human amyloid medin Communications Chemistry, Published online: 08 April 2026; doi:10.1038/s42004-026-01950-7Understanding the chemical mechanisms that govern amyloid deposition — a hallmark of numerous age-related diseases — is crucial for advancing the rational development of protein aggregation inhibitors. Here, the authors report the quantitative aggregation mechanism of medin, the most common localized amyloid in humans, and find it to be much faster compared to well-known pathological amyloids such as amyloid-β (Aβ), tau and α-synuclein.

Just out: Rapid elongation drives the exceptionally fast aggregation of the most common localized human amyloid medin

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In vitro γ-aminobutyric acid A (GABAA) receptor activity and binding interactions at the α+/γ2– interface of 53 prescription and designer benzodiazepines Communications Chemistry, Published online: 07 April 2026; doi:10.1038/s42004-026-02001-xBenzodiazepines contribute to numerous drug-related deaths and designer benzodiazepines (DBZDs) with limited pharmacodynamic data available have been increasingly implicated. Here, the authors use an in vitro GABAA assay to reveal that most DBZDs are positive allosteric modulators with wide variation in potency and efficacy, providing crucial insights for intoxication interpretation, harm reduction, and legislative measures.

Just out: In vitro γ-aminobutyric acid A (GABAA) receptor activity and binding interactions at the α+/γ2– interface of 53 prescription and designer benzodiazepines

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Heparin microarray-based specific interaction assay of marine sulfated polysaccharides with antithrombin Ⅲ Communications Chemistry, Published online: 07 April 2026; doi:10.1038/s42004-026-01999-4Marine sulfated polysaccharides hold promise for anticoagulant drug development, yet efficient evaluation methods are lacking. Here, the authors develop a heparin microarray-based competitive strategy to assess interactions with antithrombin III, successfully determining IC50 values and demonstrating versatility for broader anticoagulant target evaluation.

Just out: Heparin microarray-based specific interaction assay of marine sulfated polysaccharides with antithrombin Ⅲ

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Jorumycidine, a hexacyclic bis-tetrahydroisoquinoline alkaloid from marine symbiosis reveals new biosynthetic logic for anticancer design Communications Chemistry, Published online: 07 April 2026; doi:10.1038/s42004-026-01988-7Marine symbioses are a rich source of chemical diversity, yet the biosynthetic origins of many bioactive metabolites remain unclear. Here, the authors uncover the ability of opisthobranch mollusks to sequester and remodel sponge-derived bis-tetrahydroisoquinoline alkaloids, leading to jorumycidine, a structurally unprecedented member of this family with potential therapeutic relevance.

Just out: Jorumycidine, a hexacyclic bis-tetrahydroisoquinoline alkaloid from marine symbiosis reveals new biosynthetic logic for anticancer design

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