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Hybrid nanostructures integrating electroactive materials with functional species, such as metal-organic frameworks, covalent organic frameworks, graphdiyne etc., are of significance for both fundamental research and energy conversion/storage applications. Here, hierarchical triple-layered nanotube arrays, which consist of hydrogen-substituted graphdiyne frameworks seamlessly sandwiched between an outer layer of nickel–cobalt co-doped molybdenum disulfide nanosheets and an inner layer of mixed cobalt sulfide and nickel sulfide (Co9S8/Ni3S2), are directly fabricated on conductive carbon paper. The elaborate triple-layered structure emerges as a useful hybrid electrode for energy conversion and storage, in which the organic hydrogen-substituted graphdiyne middle layer, with an extended π-conjugated system between the electroactive nanomaterials, provides built-in electron and ion channels that are crucial for performance enhancement. This dual-template synthetic method, which makes use of microporous organic networks to confine a self-template, is shown to be versatile and thus provides a promising platform for advanced nanostructure-engineering of hierarchical multi-layered nanostructures towards a wide range of electrochemical applications., Multi-shelled nanomaterials offer interesting electrochemical properties, but have been limited in composition. Here the authors use dual templating to integrate electroactive metal chalcogenide layers with hydrogen-substituted graphdiyne, achieving electrocatalytic activity for hydrogen evolution.

In the ferroelectric devices, polarization control is usually accomplished by application of an electric field. In this paper, we demonstrate optically induced polarization switching in BaTiO3-based ferroelectric heterostructures utilizing a two-dimensional narrow-gap semiconductor MoS2 as a top electrode. This effect is attributed to the redistribution of the photo-generated carriers and screening charges at the MoS2/BaTiO3 interface. Specifically, a two-step process, which involves formation of intra-layer excitons during light absorption followed by their decay into inter-layer excitons, results in the positive charge accumulation at the interface forcing the polarization reversal from the upward to the downward direction. Theoretical modeling of the MoS2 optical absorption spectra with and without the applied electric field provides quantitative support for the proposed mechanism. It is suggested that the discovered effect is of general nature and should be observable in any heterostructure comprising a ferroelectric and a narrow gap semiconductor., Controlling the polarization state in ferroeletric materials is a prerequisite for their application. Here an approach is presented to optically manipulate the polarization of ferroelectric BaTiO3 by exploiting photogenerated carriers at the interface with a two-dimensional semiconducting MoS2 film.

Data sharing is increasingly recommended as a means of accelerating science by facilitating collaboration, transparency, and reproducibility. While few oppose data sharing philosophically, a range of barriers deter most researchers from implementing it in practice. To justify the significant effort required for sharing data, funding agencies, institutions, and investigators need clear evidence of benefit. Here, using the International Neuroimaging Data-sharing Initiative, we present a case study that provides direct evidence of the impact of open sharing on brain imaging data use and resulting peer-reviewed publications. We demonstrate that openly shared data can increase the scale of scientific studies conducted by data contributors, and can recruit scientists from a broader range of disciplines. These findings dispel the myth that scientific findings using shared data cannot be published in high-impact journals, suggest the transformative power of data sharing for accelerating science, and underscore the need for implementing data sharing universally., Data sharing is recognized as a way to promote scientific collaboration and reproducibility, but some are concerned over whether research based on shared data can achieve high impact. Here, the authors show that neuroimaging papers using shared data are no less likely to appear in top-ranked journals.

Allylic sulfones, owning to their widespread distributions in biologically active molecules, received increasing attention in the past few years. However, the synthetic method under mild conditions is still a challenging task. In this paper, we report a sulfinic acids ligation with allylic alcohols via metal-free dehydrative cross-coupling. Both aliphatic and aromatic sulfinic acids react with various allylic alcohols to deliver the desired allylic sulfones in high yields with excellent selectivity. This carbon–sulfur bond formation reaction is highly efficient and practical since it works under metal-free, neutral, aqueous media and at room temperature in which the products even can be obtained by simple filtration without the need for organic extraction or column chromatography. Water is found to be essential for the success of this carbon–sulfur bond formation reaction. DFT calculations imply that water acts as promoter in this transformation via intermolecular hydrogen bonds., Despite the biological importance of sulfones, available synthetic methods usually involve toxic metals and reagents or harsh conditions. Here, the authors report an environmentally benign procedure for the metal-free carbon-sulfur bond formation of allylic sulfones in neutral aqueous medium at room temperature.

It is known that self-assembled molecular monolayer doping technique has the advantages of forming ultra-shallow junctions and introducing minimal defects in semiconductors. In this paper, we report however the formation of carbon-related defects in the molecular monolayer-doped silicon as detected by deep-level transient spectroscopy and low-temperature Hall measurements. The molecular monolayer doping process is performed by modifying silicon substrate with phosphorus-containing molecules and annealing at high temperature. The subsequent rapid thermal annealing drives phosphorus dopants along with carbon contaminants into the silicon substrate, resulting in a dramatic decrease of sheet resistance for the intrinsic silicon substrate. Low-temperature Hall measurements and secondary ion mass spectrometry indicate that phosphorus is the only electrically active dopant after the molecular monolayer doping. However, during this process, at least 20% of the phosphorus dopants are electrically deactivated. The deep-level transient spectroscopy shows that carbon-related defects are responsible for such deactivation., Molecular monolayer doping has been used as an enabling method for the fabrication of shallow junctions in CMOS devices. Here, Gao et al. show that an undesirable reduced ionization rate during this process can be induced by carbon defects, which electronically deactivate phosphorus dopants in silicon.

Since Alan Turing envisioned Artificial Intelligence (AI) [1], a major driving force behind technical progress has been competition with human cognition. Historical milestones have been frequently associated with computers matching or outperforming humans in difficult cognitive tasks (e.g. face recognition [2], personality classification [3], driving cars [4], or playing video games [5]), or defeating humans in strategic zero-sum encounters (e.g. Chess [6], Checkers [7], Jeopardy! [8], Poker [9], or Go [10]). In contrast, less attention has been given to developing autonomous machines that establish mutually cooperative relationships with people who may not share the machine's preferences. A main challenge has been that human cooperation does not require sheer computational power, but rather relies on intuition [11], cultural norms [12], emotions and signals [13, 14, 15, 16], and pre-evolved dispositions toward cooperation [17], common-sense mechanisms that are difficult to encode in machines for arbitrary contexts. Here, we combine a state-of-the-art machine-learning algorithm with novel mechanisms for generating and acting on signals to produce a new learning algorithm that cooperates with people and other machines at levels that rival human cooperation in a variety of two-player repeated stochastic games. This is the first general-purpose algorithm that is capable, given a description of a previously unseen game environment, of learning to cooperate with people within short timescales in scenarios previously unanticipated by algorithm designers. This is achieved without complex opponent modeling or higher-order theories of mind, thus showing that flexible, fast, and general human-machine cooperation is computationally achievable using a non-trivial, but ultimately simple, set of algorithmic mechanisms., An updated version of this paper was published in Nature Communications

A Correction to this paper has been published: https://doi.org/10.1038/s41467-021-22418-3

A Correction to this paper has been published: https://doi.org/10.1038/s41467-021-22508-2

Last year, at least 30,000 scientific papers used the Kohn–Sham scheme of density functional theory to solve electronic structure problems in a wide variety of scientific fields. Machine learning holds the promise of learning the energy functional via examples, bypassing the need to solve the Kohn–Sham equations. This should yield substantial savings in computer time, allowing larger systems and/or longer time-scales to be tackled, but attempts to machine-learn this functional have been limited by the need to find its derivative. The present work overcomes this difficulty by directly learning the density-potential and energy-density maps for test systems and various molecules. We perform the first molecular dynamics simulation with a machine-learned density functional on malonaldehyde and are able to capture the intramolecular proton transfer process. Learning density models now allows the construction of accurate density functionals for realistic molecular systems., Machine learning allows electronic structure calculations to access larger system sizes and, in dynamical simulations, longer time scales. Here, the authors perform such a simulation using a machine-learned density functional that avoids direct solution of the Kohn-Sham equations.

The Singapore Integrative Omics Study provides valuable insights on establishing population reference measurement in 364 Chinese, Malay, and Indian individuals. These measurements include > 2.5 millions genetic variants, 21,649 transcripts expression, 282 lipid species quantification, and 284 clinical, lifestyle, and dietary variables. This concept paper introduces the depth of the data resource, and investigates the extent of ethnic variation at these omics and non-omics biomarkers. It is evident that there are specific biomarkers in each of these platforms to differentiate between the ethnicities, and intra-population analyses suggest that Chinese and Indians are the most biologically homogeneous and heterogeneous, respectively, of the three groups. Consistent patterns of correlations between lipid species also suggest the possibility of lipid tagging to simplify future lipidomics assays. The Singapore Integrative Omics Study is expected to allow the characterization of intra-omic and inter-omic correlations within and across all three ethnic groups through a systems biology approach., The Singapore Genome Variation projects characterized the genetics of Singapore’s Chinese, Malay, and Indian populations. The Singapore Integrative Omics Study introduced here goes further in providing multi-omic measurements in individuals from these populations, including genetic, transcriptome, lipidome, and lifestyle data, and will facilitate the study of common diseases in Asian communities.

In nanopore sensing, changes in ionic current are used to analyse single molecules in solution. The translocation dynamics of polyelectrolytes is of particular interest given potential applications such as DNA sequencing. In this paper, we determine how the dynamics of voltage driven DNA translocation can be affected by the nanopore geometry and hence the available configurational space for the DNA. Using the inherent geometrical asymmetry of a conically shaped nanopore, we examine how DNA dynamics depends on the directionality of transport. The total translocation time of DNA when exiting the extended conical confinement is significantly larger compared to the configuration where the DNA enters the pore from the open reservoir. By using specially designed DNA molecules with positional markers, we demonstrate that the translocation velocity progressively increases as the DNA exits from confinement. We show that a hydrodynamic model can account for these observations., Translocation of a charged polymer through confined nanoenvironments is highly dependent on their geometrical parameters. Here, the authors investigate experimentally the translocation dynamics of DNA through conical nanopores and provide a quantitative model for the translocation into and out of confinement.

A Correction to this paper has been published: https://doi.org/10.1038/s41467-020-20178-0

The data cited in the current work are all from Pereira-Hernandez, X. I. et al.’s work and available at https://doi.org/10.1038/s41467-019-09308-5. Pereira-Hernandez, X. I. et al. Tuning Pt-CeO2 interactions by high-temperature vapor-phase synthesis for improved reducibility of lattice oxygen. Nat. Commun. 10, 1358 (2019). ADS Article Google Scholar Grinter, D. C. et al. Spillover reoxidation of ceria nanoparticles. J. Phys. Chem. C. 120, 11037–11044 (2016). CAS Article Google Scholar Skala, T., Sutarabc, F., Prince, K. C. & Matolin, V. Cerium oxide stoichiometry alteration via Sn deposition: Influence of temperature. J. Electron Spectrosc. 169, 20–25 (2009). Article Google Scholar Kato, S. et al. Quantitative depth profiling of Ce3+ in Pt/CeO2 by in situ high-energy XPS in a hydrogen atmosphere. Phys. Chem. Chem. Phys. 17, 5078–5083 (2015). CAS Article Google Scholar Fairley, N. CasaXPS Manual 2.3. 15. (Casa Software Ltd, Teignmouth, 2009). Niemantsverdriet, J. W. Spectroscopy in Catalysis: An Introduction. (John Wiley & Sons, Hoboken, 2007). Imelik, B. Metal-Support and Metal-Additive Effects in Catalysis. (Elsevier, Amsterdam, 1982). Download references Energy and Catalysis Laboratory, Department of Mechanical and Automation Engineering, The Chinese University of Hong Kong, Shatin, New Territories, Hong Kong SAR, China Jiazheng Ren & Yongsheng Chen You can also search for this author in PubMed Google Scholar You can also search for this author in PubMed Google Scholar Y.C. reinterpreted the experimental results in the concerned publication. J.R. and Y.C. wrote the paper. Correspondence to Yongsheng Chen. The authors declare no competing interests. Peer review information Nature Communications thanks the anonymous reviewer(s) for their contribution to the peer review of this work. Publisher’s note Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations. Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/. Reprints and Permissions Ren, J., Chen, Y. Pitfalls in identifying active catalyst species. Nat Commun 11, 4564 (2020). https://doi.org/10.1038/s41467-020-18192-3 Download citation Received: 17 February 2020 Accepted: 22 July 2020 Published: 11 September 2020 DOI: https://doi.org/10.1038/s41467-020-18192-3 By submitting a comment you agree to abide by our Terms and Community Guidelines. If you find something abusive or that does not comply with our terms or guidelines please flag it as inappropriate.

Distantly related animals have spectacularly different shapes and body plans, which can render it difficult to understand which of their body parts may have a shared evolutionary origin. Studying the molecular regulation of the development of these body parts during embryogenesis can help identifying commonalities that are not visible by eye., Hox genes are known to regulate head-tail axis patterning but their molecular role in animals diverged from the bilaterian lineage is unclear. Here, Fabian Rentzsch and Thomas W. Holstein comment on a paper by Mark Martindale and colleagues on the functional role of two Hox genes in axial patterning of the sea anemone.

Model warming projections, forced by increasing greenhouse gases, have a large inter-model spread in both their geographical warming patterns and global mean values. The inter-model warming pattern spread (WPS) limits our ability to foresee the severity of regional impacts on nature and society. This paper focuses on uncovering the feedbacks responsible for the WPS. Here, we identify two dominant WPS modes whose global mean values also explain 98.7% of the global warming spread (GWS). We show that the ice-albedo feedback spread explains uncertainties in polar regions while the water vapor feedback spread explains uncertainties elsewhere. Other processes, including the cloud feedback, contribute less to the WPS as their spreads tend to cancel each other out in a model-dependent manner. Our findings suggest that the WPS and GWS could be significantly reduced by narrowing the inter-model spreads of ice-albedo and water vapor feedbacks, and better understanding the spatial coupling between feedbacks., The spatial pattern and global mean values of warming differ between different climate models, an issue that needs to be better understood in order to obtain reliable regional projections. Here, the authors show that ice-albedo and water vapor feedbacks are the key processes that are responsible for this inter-model spread.

Graphene oxide (GO) sheets have been used as a model system to study how the mechanical properties of two-dimensional building blocks scale to their bulk form, such as paper-like, lamellar-structured thin films. Here, we report that the modulus of multilayer GO films can be significantly enhanced if some of the sheets are drastically weakened by introducing in-plane porosity. Nanometer-sized pores are introduced in GO sheets by chemical etching. Membrane-deflection measurements at the single-layer level show that the sheets are drastically weakened as the in-plane porosity increases. However, the mechanical properties of the corresponding multilayer films are much less sensitive to porosity. Surprisingly, the co-assembly of pristine and etched GO sheets yields even stiffer films than those made from pristine sheets alone. This is attributed to the more compliant nature of the soft porous sheets, which act as a binder to improve interlayer packing and load transfer in the multilayer films., Graphene oxide sheets have been used as a model system to study how the mechanical properties of individual 2D building blocks scale to their bulk form. Here the authors show that the modulus of multilayer graphene oxide films can be enhanced if some of the sheets are weakened by introducing in-plane porosity.

Following re-sequencing of the miSFIT constructs used in the paper, two of the construct variants inserted into the 3’UTR of PD-1, namely ‘12C’ and ‘17A, 18G’, have been found to contain additional insertions not present in the other construct variants. The data points corresponding to these constructs in Figs. 2c, f and Supplementary Fig. 9 are therefore no longer valid. However the overall conclusion that step-wise control over gene expression levels using the miSFIT constructs remains unaffected by these errors. Updated versions of Fig. 2 and Supplementary Fig. 9 are presented in the accompanying Addendum.

The development of new catalysts for oxidation reactions is of central importance for many industrial processes. Plasmonic catalysis involves photoexcitation of templates/chips to drive and enhance oxidation of target molecules. Raman-based sensing of target molecules can also be enhanced by these templates. This provides motivation for the rational design, characterization, and experimental demonstration of effective template nanostructures. In this paper, we report on a template comprising silver nanoparticles on aligned peptide nanotubes, contacted with a microfabricated chip in a dry environment. Efficient plasmonic catalysis for oxidation of molecules such as p-aminothiophenol results from facile trans-template charge transfer, activated and controlled by application of an electric field. Raman detection of biomolecules such as glucose and nucleobases are also dramatically enhanced by the template. A reduced quantum mechanical model is formulated, comprising a minimum description of key components. Calculated nanotube-metal-molecule charge transfer is used to understand the catalytic mechanism and shows this system is well-optimized., Plasmonic nanomaterials offer new frontiers as photocatalysis and sensor materials, yet elucidating factors controlling each is a challenge. Here, authors examine the role of electric fields in photocatalysis and biomolecule sensing abilities of peptide-nanotubesupported silver nanoparticles.

The bottom-up synthesis of structurally well-defined motifs of graphitic materials is crucial to understanding their physicochemical properties and to elicit new functions. Herein, we report the design and synthesis of TriQuinoline (TQ) as a molecular model for pyridinic-nitrogen defects in graphene sheets. TQ is a trimer of quinoline units concatenated at the 2- and 8-positions in a head-to-tail fashion, whose structure leads to unusual aromatisation behaviour at the final stage of the synthesis. The central atomic-sized void endows TQ with high proton affinity, which was confirmed empirically and computationally. TQ•H+ is a two-dimensional cationic molecule that displays both π–π and CH–π contact modes, culminating in the formation of the ternary complex ([12]cycloparaphenylene(CPP) ⊃ (TQ•H+/coronene)) that consists of TQ•H+, coronene (flat), and [12]cycloparaphenylene ([12]CPP) (ring). The water-miscibility of TQ•H+ allows it to serve as an efficient DNA intercalator for e.g. the inhibition of topoisomerase I activity., In this paper, the authors introduce a structurally elegant 2D triquinoline molecule as a discrete model for graphitic materials with atom-sized voids. The compound has unusual chemical properties, including high proton affinity and rich supramolecular behavior, forming complexes via both π-π and CH-π contact modes.

This paper reports our experimental studies on the underlying mechanism responsible for electroluminescence spectral narrowing phenomenon in the cavity-based organic light-emitting diodes. It is found that the microcavity generates an emerging phenomenon: a magneto-photoluminescence signal in Poly(9,9-dioctylfluorene-alt-benzothiadiazole) polymer under photoexcitation, which is completely absent when microcavity is not used. This provides an evidence that microcavity leads to the formation of spatially extended states, functioning as the intermediate states prior to the formation of Frenkel excitons in organic materials. This is confirmed by the magneto-electroluminescence solely observed from the cavity-based light-emitting diodes under electrical injection. Furthermore, the narrowed electroluminescence output shows a linear polarization, concurrently occurred with magneto-electroluminescence. This indicates that the spatially extended sates become aligned towards forming coherent light-emitting excitons within the microcavity through optical resonance. Clearly, the spatially extended states present the necessary condition to realize electroluminescence spectral narrowing phenomenon towards lasing actions in cavity-based organic light-emitting diodes., Realizing electrically-pumped lasing actions in microcavity organic light-emitting diodes requires elucidating the origin of spectrally-narrowed electroluminescence amplification. Here, the authors show that the microcavity induces spatially extended states with polaron-pair like characteristics.

Direct printing of functional inks is critical for applications in diverse areas including electrochemical energy storage, smart electronics and healthcare. However, the available printable ink formulations are far from ideal. Either surfactants/additives are typically involved or the ink concentration is low, which add complexity to the manufacturing and compromises the printing resolution. Here, we demonstrate two types of two-dimensional titanium carbide (Ti3C2Tx) MXene inks, aqueous and organic in the absence of any additive or binary-solvent systems, for extrusion printing and inkjet printing, respectively. We show examples of all-MXene-printed structures, such as micro-supercapacitors, conductive tracks and ohmic resistors on untreated plastic and paper substrates, with high printing resolution and spatial uniformity. The volumetric capacitance and energy density of the all-MXene-printed micro-supercapacitors are orders of magnitude greater than existing inkjet/extrusion-printed active materials. The versatile direct-ink-printing technique highlights the promise of additive-free MXene inks for scalable fabrication of easy-to-integrate components of printable electronics., Printing functional inks is attractive for applications in electrochemical energy storage and smart electronics, among others. Here the authors report highly concentrated, additive-free, aqueous and organic MXene-based inks that can be used for high-resolution extrusion and inkjet printing.

Awareness of the human health impacts of exposure to air pollution is growing rapidly. For example, it has become evident that the adverse health effects of air pollution are more pronounced in disadvantaged populations. Policymakers in many jurisdictions have responded to this evidence by enacting initiatives that lead to lower concentrations of air pollutants, such as urban traffic restrictions. In this review, we focus on the interplay between advances in environmental exposure assessment and developments in policy. We highlight recent progress in the granular measurement of air pollutants and individual-level exposures, and how this has enabled focused local policy actions. Finally, we detail an illustrative study designed to link individual-level health-relevant exposures with economic, behavioral, biological, familial, and environmental variables., How can scientists and policymakers work together to reduce the health impacts of air pollution? In this review paper, the authors discuss the interplay between advances in environmental exposure assessment and policy advances to tackle pollution in a focused way.

The original version of this article incorrectly listed the present address of Bo Wu as ‘Present address: Institute of Electronic Paper Displays, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, Guangdong Province 510006, China’. This is the author’s primary affiliation. This has been corrected in both the PDF and HTML versions of the article.

Nearly two decades of intense study have passed since the term metamaterials was first introduced in 1999. In spite of their great promise, however, metamaterials have been slow to find their way into practical devices, and examples of real-world applications remain rare. In this paper, an Advanced Short Backfire Antenna (A-SBFA), augmented with anisotropic metamaterial surfaces (metasurfaces), has been designed to achieve a very high aperture efficiency across two frequency bands. This performance is unprecedented for an antenna that has seen widespread use, but few design changes over its more than 50 year existence. The reduced weight, compact design, hexagonal aperture, high dual-band efficiency, high cross-polarization isolation, as well as low multipaction and passive intermodulation (PIM) risk make the A-SBFA ideal for spaceborne applications. This transformative design demonstrates how practical metamaterials, when applied to conventional antenna technology, can provide significant performance enhancements., There is significant interest in providing real-world applications for metamaterials. Here, the authors design an Advanced Short Backfire Antenna, augmented with anisotropic metamaterial surfaces to achieve high aperture efficiency across two frequency bands, making the antenna ideal for spaceborne applications.

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Oxford Nanopore (ONT) is a leading long-read technology which has been revolutionizing transcriptome analysis through its capacity to sequence the majority of transcripts from end-to-end. This has greatly increased our ability to study the diversity of transcription mechanisms such as transcription initiation, termination, and alternative splicing. However, ONT still suffers from high error rates which have thus far limited its scope to reference-based analyses. When a reference is not available or is not a viable option due to reference-bias, error correction is a crucial step towards the reconstruction of the sequenced transcripts and downstream sequence analysis of transcripts. In this paper, we present a novel computational method to error correct ONT cDNA sequencing data, called isONcorrect. IsONcorrect is able to jointly use all isoforms from a gene during error correction, thereby allowing it to correct reads at low sequencing depths. We are able to obtain a median accuracy of 98.9-99.6%, demonstrating the feasibility of applying cost-effective cDNA full transcript length sequencing for reference-free transcriptome analysis.

A Correction to this paper has been published: https://doi.org/10.1038/s41467-021-21294-1.

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