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Showing 51–100 of 436 results
Advanced filters: Author: J. E. LENNARD-JONES Clear advanced filters
  • Two novel algorithms for nanostructure reconstruction from precise unassigned interatomic distances makes sub-ångström resolution structure solution of nanomaterials possible.

    • P. Juhás
    • D. M. Cherba
    • S. J. L. Billinge
    Research
    Nature
    Volume: 440, P: 655-658
  • The xylosyltransferase isoenzymes XT1 and XT2 catalyze the first glycosylation step in the biosynthesis of proteoglycans. Now, bump-and-hole engineering of XT1 and XT2 enables substrate profiling and modification of proteins as designer proteoglycans to modulate cellular behavior.

    • Zhen Li
    • Himanshi Chawla
    • Benjamin Schumann
    ResearchOpen Access
    Nature Chemical Biology
    P: 1-10
  • Soft particulate flows such as granular media are prone to fluctuations like jamming and avalanches. Here Rahbari et al. consider the statistics of rare fluctuations to identify an effective temperature which, unlike previous ones, is valid for packing fractions both near and far from the jamming point.

    • S.H.E. Rahbari
    • A.A. Saberi
    • J. Vollmer
    ResearchOpen Access
    Nature Communications
    Volume: 8, P: 1-6
  • The non-innocence of electrolyte cations in the activity of CO2 reduction has been widely acknowledged, although these complex effects are not fully understood. Here, opposite to the trend observed with Cu and Ag surfaces, smaller alkali cations greatly enhance CO2-to-methanol conversion on a cobalt molecular electrocatalyst.

    • Sunmoon Yu
    • Hiroki Yamauchi
    • Yang Shao-Horn
    Research
    Nature Catalysis
    Volume: 7, P: 1000-1009
  • Complex colloidal crystal structures can be obtained by a combination of preassembled units and DNA-mediated interactions. This enables, for instance, the generation of a MgCu2 structure with interpenetrating diamond and pyrochlore sublattices.

    • Étienne Ducrot
    • Mingxin He
    • David J. Pine
    Research
    Nature Materials
    Volume: 16, P: 652-657
  • Porous materials can absorb energy by water infiltration, but studies at industrially relevant high-rate intrusions are rare. Here, high-rate experiments are performed on ZIFs showing high energy storage capacity, while molecular simulations allow design rules to be formulated for absorption materials.

    • Yueting Sun
    • Sven M. J. Rogge
    • Jin-Chong Tan
    Research
    Nature Materials
    Volume: 20, P: 1015-1023
  • Non-addictive treatments for pain are much needed. Here, the authors identify in vivo active leads for inflammatory pain using large library docking against the EP4 prostaglandin receptor.

    • Stefan Gahbauer
    • Chelsea DeLeon
    • Brian K. Shoichet
    ResearchOpen Access
    Nature Communications
    Volume: 14, P: 1-12
  • The lipid regulation of mammalian ion channel function has emerged as a fundamental mechanism in the control of electrical signalling and transport specificity. Here, the authors combine molecular dynamics simulations, mutagenesis, and electrophysiology to provide mechanistic insights into how lipophilic molecules alter gating kinetics and K+ currents of hERG1.

    • Williams E. Miranda
    • Jiqing Guo
    • Sergei Yu. Noskov
    ResearchOpen Access
    Nature Communications
    Volume: 12, P: 1-10
  • Reinforcement learning algorithms are emerging as powerful machine learning approaches. This paper introduces a novel machine-learning approach for learning in continuous action space and applies this strategy to the generation of high dimensional potential models for a wide variety of materials.

    • Sukriti Manna
    • Troy D. Loeffler
    • Subramanian K. R. S. Sankaranarayanan
    ResearchOpen Access
    Nature Communications
    Volume: 13, P: 1-10
  • Induced proximity by molecular glues is a strategy that leverages the recruitment of proteins to facilitate their modification or degradation. Here the authors present unbiased quantitative proteomic, biochemical and computational workflows that uncover hundreds of CRBN molecular glue targets using recombinant protein and cell lysate.

    • Kheewoong Baek
    • Rebecca J. Metivier
    • Eric S. Fischer
    ResearchOpen Access
    Nature Communications
    Volume: 16, P: 1-18
  • The molten structure of plutonium oxide—a component of mixed oxide nuclear fuels—is measured, showing some degree of covalent bonding. Its atomic structure is similar to that of cerium oxide, which could be a non-radioactive structural surrogate.

    • Stephen K. Wilke
    • Chris J. Benmore
    • Richard Weber
    Research
    Nature Materials
    Volume: 23, P: 884-889
  • A new technique called immunoGAM, which combines genome architecture mapping (GAM) with immunoselection, enabled the discovery of specialized chromatin conformations linked to gene expression in specific cell populations from mouse brain tissues.

    • Warren Winick-Ng
    • Alexander Kukalev
    • Ana Pombo
    ResearchOpen Access
    Nature
    Volume: 599, P: 684-691
  • Jammed systems are typically thought of as being amorphous. Simulations of packings with varying disorder reveal a crossover from crystalline behaviour, which suggests the physics of jamming also applies to highly ordered systems—providing a new framework for understanding amorphous solids.

    • Carl P. Goodrich
    • Andrea J. Liu
    • Sidney R. Nagel
    Research
    Nature Physics
    Volume: 10, P: 578-581
  • STING is a promising drug target, but selective activation is necessary for safety and efficacy. Researchers have developed a two-component prodrug system for potent pharmacological activation of STING that offers excellent tumour targeting.

    • Nai-Shu Hsu
    • Cong Tang
    • Gonçalo J. L. Bernardes
    ResearchOpen Access
    Nature Chemistry
    Volume: 17, P: 1941-1951
  • There are no vaccines or antivirals available against enterovirus D68. Here, the authors report Jun6504 as a 2C inhibitor and show that it provides broad-spectrum antiviral activity against EV-D68, EV-A71, and CVB3 and potent antiviral efficacy in a neonatal neurological mouse model of EV-D68 infection.

    • Kan Li
    • Michael J. Rudy
    • Jun Wang
    ResearchOpen Access
    Nature Communications
    Volume: 16, P: 1-18
  • Time-resolved serial femtosecond crystallography is used to reveal the structural changes that stabilize the charge-separation steps of electron-transfer reactions in the photosynthetic reaction centre of Blastochloris viridis on a timescale of picoseconds.

    • Robert Dods
    • Petra Båth
    • Richard Neutze
    Research
    Nature
    Volume: 589, P: 310-314
  • In the atmosphere, photolysis of formaldehyde generates H and HCO radicals, which then react with O2 to form HO2 (important in converting atmospheric carbon to CO2). Now it has been shown that internally excited formaldehyde can also react with atmospheric O2 to make HO2 in a direct, one-step ‘photophysical oxidation’, a mechanism likely to be general in the troposphere.

    • Blair A. Welsh
    • Maggie E. Corrigan
    • Scott H. Kable
    Research
    Nature Chemistry
    Volume: 15, P: 1350-1357
  • Intuition suggests that the occurrence of large quantum fluctuations should prevent a material from forming a glass by enabling its atoms to rearrange into a lower-energy ordered state. But new simulations suggest the opposite could be true, with fluctuations sometimes enhancing glass formation.

    • Thomas E. Markland
    • Joseph A. Morrone
    • David R. Reichman
    Research
    Nature Physics
    Volume: 7, P: 134-137
  • Resolving nucleosomes with chemical accuracy inside sub-Mb chromatin provides molecular insight into the modulation of chromatin structure and its liquid–liquid phase separation (LLPS). By developing a multiscale chromatin model, the authors find that DNA breathing enhances the valency, heterogeneity, and dynamics of nucleosomes, promoting disordered folding and LLPS.

    • Stephen E. Farr
    • Esmae J. Woods
    • Rosana Collepardo-Guevara
    ResearchOpen Access
    Nature Communications
    Volume: 12, P: 1-17
  • Solid-like behaviour arises in a wide variety of complex fluids upon gelation — aggregation of particles to form mesoscopic clusters and networks. The authors show that gelation of spherical particles with isotropic, short-range attractions is initiated by spinodal decomposition.

    • Peter J. Lu
    • Emanuela Zaccarelli
    • David A. Weitz
    Research
    Nature
    Volume: 453, P: 499-503
  • Effects from electrolytes on supercapacitor electrodes, especially pseudocapacitive materials, are important but often overlooked. Gogotsi and colleagues demonstrate strong influences from electrolyte solvents on charge-storage processes in a titanium carbide and identify a best-performing electrode/electrolyte couple for supercapacitors.

    • Xuehang Wang
    • Tyler S. Mathis
    • Yury Gogotsi
    Research
    Nature Energy
    Volume: 4, P: 241-248
  • Directed evolution of the final enzyme in the lovastatin biosynthetic pathway yields a variant with 29 mutations that does not require a carrier protein and displays altered dynamics of the catalytic residues, spending more time in the catalytically active conformation.

    • Gonzalo Jiménez-Osés
    • Sílvia Osuna
    • K N Houk
    Research
    Nature Chemical Biology
    Volume: 10, P: 431-436
  • Hydrogen has multiple molecular phases which are challenging to explore computationally. The authors develop a machine-learning approach, learning from reference ab initio molecular dynamics simulations, to derive a transferable hierarchical force model that provides insight into high pressure phases and the melting line of H2.

    • Hongxiang Zong
    • Heather Wiebe
    • Graeme J. Ackland
    ResearchOpen Access
    Nature Communications
    Volume: 11, P: 1-9
  • Janus colloids with an attractive patch on the surface are model systems to explore structure formation but experimental realizations of such particles are rare. Here, the authors report a scalable method to precisely vary the Janus balance over a wide range and observe the formation of various structures including fibers, bilayers, and nonequilibrium rings catalyzed by substrate binding.

    • Joon Suk Oh
    • Sangmin Lee
    • David J. Pine
    ResearchOpen Access
    Nature Communications
    Volume: 10, P: 1-10
  • Alterations to archaeal histone-histone and histone-DNA contacts elicit dramatic impacts on transcription elongation processivity and the rate of RNA synthesis, suggesting the importance of distinct chromatin structures in regulated gene expression.

    • Breanna R. Wenck
    • Robert L. Vickerman
    • Thomas J. Santangelo
    ResearchOpen Access
    Communications Biology
    Volume: 7, P: 1-14
  • Understanding how excited states behave at heterojunctions between polymers in blends is fundamental to designing better organic solar cells and light-emitting diodes. A quantum-mechanical molecular-scale model of how excitations behave at heterojunctions has been developed, showing an unexpectedly wide but specific range of excitonic states.

    • Ya-shih Huang
    • Sebastian Westenhoff
    • David Beljonne
    Research
    Nature Materials
    Volume: 7, P: 483-489
  • It is commonly assumed that bacterial cells within biofilms are glued together by matrix components, but the details are poorly understood. Here, Moreau et al. show how dynamic changes in attractive and repulsive interactions between cells and various matrix components drive biofilm growth and disassembly in Vibrio cholerae.

    • Alexis Moreau
    • Danh T. Nguyen
    • Jing Yan
    ResearchOpen Access
    Nature Communications
    Volume: 16, P: 1-16
  • An algorithm has been developed that can provably predict the lowest energy structure of crystalline materials using a combination of combinatorial optimization and integer programming.

    • Vladimir V. Gusev
    • Duncan Adamson
    • Matthew J. Rosseinsky
    Research
    Nature
    Volume: 619, P: 68-72
  • The biomechanical mechanisms enabling the invasive growth of brain tumors remain opaque. Here, Junqueira Alves et al. reveal that the guidance receptor Plexin-B2 controls membrane tension, facilitating confined migration of brain tumor cells.

    • Chrystian Junqueira Alves
    • Theodore Hannah
    • Roland H. Friedel
    ResearchOpen Access
    Nature Communications
    Volume: 16, P: 1-20
  • The structure of ionic liquids under confinement is not well understood and hinders their widespread use for applications. Convincing evidence of partial breaking of Coulombic ordering of ions confined in subnanometre carbon pores is now provided.

    • Ryusuke Futamura
    • Taku Iiyama
    • Katsumi Kaneko
    Research
    Nature Materials
    Volume: 16, P: 1225-1232
  • Structures of the growing peptide chain on and off the ribosome reveal that the ribosome destabilizes the unfolded nascent chain, promoting the formation of partially folded intermediate states.

    • Julian O. Streit
    • Ivana V. Bukvin
    • John Christodoulou
    ResearchOpen Access
    Nature
    Volume: 633, P: 232-239
  • Experiments and computer simulations show that Janus ellipsoids can self-assemble into self-limiting fibres that have shape-memory properties and can be actuated by applying an external electric field.

    • Aayush A. Shah
    • Benjamin Schultz
    • Michael J. Solomon
    Research
    Nature Materials
    Volume: 14, P: 117-124
  • Significant amounts of different perchlorate salts have been discovered on the surface of Mars. Here, the authors show that magnesium perchlorate has a major impact on water structure in solution, providing insight into how an aqueous fluid might exist under the sub-freezing conditions present on Mars.

    • Samuel Lenton
    • Natasha H. Rhys
    • Lorna Dougan
    ResearchOpen Access
    Nature Communications
    Volume: 8, P: 1-5
  • A liquid flow can cross a solid wall, at odds with classical hydrodynamics, thanks to couplings between the liquid’s fluctuations and the electronic excitations of the solid inducing a momentum tunnelling.

    • Baptiste Coquinot
    • Anna T. Bui
    • Lydéric Bocquet
    Research
    Nature Nanotechnology
    Volume: 20, P: 397-403