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Communications Chemistry @CommsChem

An open access @NaturePortfolio journal publishing high-quality primary research articles, reviews and commentary in all areas of the chemical sciences.

Joined July 2017
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Electronic and steric effects of phosphine ligands on the linear regioselectivity of propylene methoxycarbonylation dlvr.it/TT1JjQ

Electronic and steric effects of phosphine ligands on the linear regioselectivity of propylene...

Communications Chemistry - Propylene methoxycarbonylation offers an atom-economical route to synthesize butyrate esters, yet its mechanism and regioselectivity remain underexplored. Here, the...

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Selective cellulose fibril release from hardwoods libriform tissue dlvr.it/TT1Jg6

Selective cellulose fibril release from hardwoods libriform tissue

Communications Chemistry - Cellulose fibrils are a renewable and biodegradable resource, but their extraction typically requires complete destruction of the original wooden matrix. Here, the...

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Discovery of a low-density filled-ice phase in nitrogen hydrate at high pressure dlvr.it/TT0Bly

Discovery of a low-density filled-ice phase in nitrogen hydrate at high pressure

Communications Chemistry - While the stability of nitrogen clathrate hydrates at moderate pressures is well established, the behavior of the water-nitrogen system at higher pressures, relevant for...

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Generative pretraining for drug molecule design with bidirectional structure-property optimization dlvr.it/TSxQQx

Generative pretraining for drug molecule design with bidirectional structure-property optimization

Communications Chemistry - Designing drug-like molecules that satisfy both property requirements and structural constraints is a persistent challenge. Here, the authors introduce BiSP-GP, a...

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Mechanistic insight into low-temperature alkylation of thiophene with styrene over zeolites MCM-22 and β dlvr.it/TSxQK3

Mechanistic insight into low-temperature alkylation of thiophene with styrene over zeolites MCM-22...

Communications Chemistry - Friedel-Crafts alkylation reactions are generally accepted to proceed via an electrophilic aromatic substitution mechanism, but alternative pathways remain underexplored....

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A bacteriophytochrome Pr/Pfr heterodimer studied through single-particle time-resolved cryo-electron microscopy dlvr.it/TSxQDR

A bacteriophytochrome Pr/Pfr heterodimer studied through single-particle time-resolved cryo-elect...

Communications Chemistry - The transition of bacterial phytochromes from the red-absorbing Pr state to the far-red-absorbing Pfr state may proceed through the formation of a Pr/Pfr heterodimer, as...

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Structural dynamics of the π-stacking network governing cofactor-substrate cooperativity of SbSOMT methyltransferase dlvr.it/TSxQ5Y

Structural dynamics of the π-stacking network governing cofactor-substrate cooperativity of SbSOMT...

Communications Chemistry - SAM-dependent methyltransferases facilitate methyl transfer from cofactors to substrates, yet the structural dynamics influencing cofactor-substrate binding cooperativity...

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Chemical and physical equilibria shape dual ice-nucleation pathways in an organic crystal dlvr.it/TSw0R2

Chemical and physical equilibria shape dual ice-nucleation pathways in an organic crystal

Communications Chemistry - Organic crystals influence ice formation in natural environments, but the underlying mechanisms remain underexplored. Here, the authors show that the freezing efficiency...

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Digital twin of biomacromolecular thermodynamics in cryo-EM data dlvr.it/TStc4y

Digital twin of biomacromolecular thermodynamics in cryo-EM data

Communications Chemistry - Understanding the thermodynamics of biomacromolecules is crucial for elucidating their mechanisms yet remains challenging with current cryo-electron microscopy (cryo-EM)...

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Plasmon-induced indirect charge transfer and vibronic stabilization in 4-nitrobenzenethiol dlvr.it/TStbzX

Plasmon-induced indirect charge transfer and vibronic stabilization in 4-nitrobenzenethiol

Communications Chemistry - Experiments have linked the plasmon-driven reduction of 4-nitrobenzenethiol (4-NBT) to the presence of transient negative ions and nonthermal multiquantum vibrational...

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Unlocking Lewis acid–free metalation of O–nucleophiles in HFIP dlvr.it/TSr4tL

Unlocking Lewis acid–free metalation of O–nucleophiles in HFIP

Communications Chemistry - Allylsilanes are typically used in C–C bond formation, but their potential as silylating agents for Si–O bond creation has been limited by the need for acid...

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One pot sulfur(IV) fluoride-mediated deoxyaminations for the syntheses of 3,3-arylamino oxetanes and azetidines dlvr.it/TSnM1Z

One pot sulfur(IV) fluoride-mediated deoxyaminations for the syntheses of 3,3-arylamino oxetanes...

Communications Chemistry - Functionalized oxetanes and azetidines hold potential as bioisosteres, but their use in agrochemical and pharmaceutical screenings is hindered by synthetic challenges....

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Heavy water labeling reveals metabolic flexibility of amino acid and polyamine pathways in mammalian cells dlvr.it/TSnM0N

Heavy water labeling reveals metabolic flexibility of amino acid and polyamine pathways in mammal...

Communications Chemistry - Amino acid and polyamine metabolism are crucial for cellular functions, yet its pathway usage varies with context and compensatory mechanisms. Here, the authors employ...

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Generating knotted polymer and protein structures by machine learning dlvr.it/TSn8H7

Generating knotted polymer and protein structures by machine learning

Communications Chemistry - Knotted molecules occur naturally and can be designed to obtain unique biological and material properties. Here, the authors report a framework for generating polymer...

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CholBindNet as an interpretable neural network for cholesterol-binding site classification dlvr.it/TSn89W
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Imaging quantum chemistry in action with quantum attomicroscopy dlvr.it/TSlFSV

Imaging quantum chemistry in action with quantum attomicroscopy

Communications Chemistry - The ability to probe quantum electron and nuclei motion driving biomolecular reactions could have transformative implications in our understanding of chemical reactivity...

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Molecular determinants of arginine versus lysine cation–π interactions in biomolecular condensates dlvr.it/TSkLbx

Molecular determinants of arginine versus lysine cation–π interactions in biomolecular condensates

Communications Chemistry - Both aromatic and positively charged residues play a role in stabilizing biomolecular condensates formed by intrinsically disordered regions of proteins, but they differ...

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A dataset of 1.2 million molecules with DFT-level quantum chemical annotations for molecular representation learning dlvr.it/TSkLW8

A dataset of 1.2 million molecules with DFT-level quantum chemical annotations for molecular...

Communications Chemistry - Advancements in deep learning have revolutionized drug and material design, yet the scarcity of large-scale datasets with detailed physicochemical data limits molecular...

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Direct amidinium–phosphate interactions guide AT-selective DNA binding by a potent antileishmanial drug dlvr.it/TSg13b

Direct amidinium–phosphate interactions guide AT-selective DNA binding by a potent antileishmanial...

Communications Chemistry - JNII40 is a bis(pyridine-2-carboxamidine) ligand with potent antiparasitic activity that preferentially targets AT-rich DNA. Here, the authors use NMR spectroscopy to...

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Conformational flexibility of talin enables force-free sampling of activation-competent states dlvr.it/TSfh2n

Conformational flexibility of talin enables force-free sampling of activation-competent states

Communications Chemistry - While autoinhibited architectures of talin are known from cryo-electron microscopy, its behaviour in solution has remained underexplored. Here, the authors use...

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