This report describes important future research directions in nanoscale science, engineering and technology. It was prepared in connection with an anticipated national research initiative on nanotechnology for the twenty-first century. The research directions described are not expected to be inclusive but illustrate the wide range of research opportunities and challenges that could be undertaken through the national laboratories and their major national scientific user facilities with the support of universities and industry.
The development, characterization, and exploitation of novel materials based on the assembly of molecular components is an exceptionally active and rapidly expanding field. For this reason, the topic of molecule-based materials (MBMs) was chosen as the subject of a workshop sponsored by the Chemical Sciences Division of the United States Department of Energy. The purpose of the workshop was to review and discuss the diverse research trajectories in the field from a chemical perspective, and to focus on the critical elements that are likely to be essential for rapid progress. The MBMs discussed encompass a diverse set of compositions and structures, including clusters, supramolecular assemblies, and assemblies incorporating biomolecule-based components. A full range of potentially interesting materials properties, including electronic, magnetic, optical, structural, mechanical, and chemical characteristics were considered. Key themes of the workshop included synthesis of novel components, structural control, characterization of structure and properties, and the development of underlying principles and models. MBMs, defined as “useful substances prepared from molecules or molecular ions that maintain aspects of the parent molecular framework” are of special significance because of the capacity for diversity in composition, structure, and properties, both chemical and physical. Key attributes are the ability in MBMs to access the additional dimension of multiple length scales and available structural complexity via organic chemistry synthetic methodologies and the innovative assembly of such diverse components. The interaction among the assembled components can thus lead to unique behavior. A consequence of the complexity is the need for a multiplicity of both existing and new tools for materials synthesis, assembly, characterization, and theoretical analysis. For some technologically useful properties, e.g., ferro- or ferrimagnetism and superconductivity, the property is not a property of a molecule or ion; it is a cooperative solid-state (bulk) property—a property of the entire solid. Hence, the desired properties are a consequence of the interactions between the molecules or ions, and understanding the solid-state structure as well as methods to predict, control, and modulate the structure are essential to understanding and manipulating such behaviors. As challenging as this is, molecules enable a substantially greater ability of control than atoms as building blocks for new materials and thus are well positioned to contribute significantly to new materials. The diversity of components and processes leads to the recognition of the critical role of cross-disciplinary research, including not only that between traditionally different areas within chemistry, but also between chemistry and biochemistry, physics, and a number of engineering disciplines. Enhancing communication and active collaboration between these groups was seen as a critical goal for the research area.
Explanation of how 92 studies provided data regarding 127 analyses. (DOC 36 kb)
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTA New Nonhydrolytic Single-Precursor Approach to Surfactant-Capped Nanocrystals of Transition Metal OxidesJörg Rockenberger, Erik C. Scher, and A. Paul AlivisatosView Author Information Department of Chemistry, Box 101 University of California, Berkeley, Berkeley California 94720 Cite this: J. Am. Chem. Soc. 1999, 121, 49, 11595–11596Publication Date (Web):November 24, 1999Publication History Received10 September 1999Published online24 November 1999Published inissue 1 December 1999https://pubs.acs.org/doi/10.1021/ja993280vhttps://doi.org/10.1021/ja993280vrapid-communicationACS PublicationsCopyright © 1999 American Chemical SocietyRequest reuse permissionsArticle Views7246Altmetric-Citations652LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-AlertscloseSupporting Info (1)»Supporting Information Supporting Information SUBJECTS:Metals,Nanocrystals,Nanoparticles,Oxides,Transmission electron microscopy Get e-Alerts
Read moreA simple yet highly reproducible method to fabricate metallic electrodes with nanometer separation is presented. The fabrication is achieved by passing a large electrical current through a gold nanowire defined by electron-beam lithography and shadow evaporation. The current flow causes the electromigration of gold atoms and the eventual breakage of the nanowire. The breaking process yields two stable metallic electrodes separated by ∼1 nm with high efficiency. These electrodes are ideally suited for electron-transport studies of chemically synthesized nanostructures, and their utility is demonstrated here by fabricating single-electron transistors based on colloidal cadmium selenide nanocrystals.
Read moreTop-down studies of methane (CH4) emissions often use the average ethane-to-methane (C2/C1) ratio of wellhead gas in a basin for source attribution between thermogenic and biogenic sources. Biogenic (CH4) sources (ruminants, wetlands, landfills, and other methanogenic sources) do not co-produce ethane (C2H6); the presence of C2H6 indicates a thermogenic CH4 source. However, the C2/C1 ratio often varies within and across basins, as well as among emitting sources and facility configurations. This study uses Fourier Transform Infrared Spectroscopy (FTIR) data from exhaust stack tests of both four-stroke rich-burn and four-stroke lean-burn engines, comparing the relative “destruction efficiency” between the engines and across species. Results show that engines combust heavier hydrocarbons more efficiently than CH4, as evidenced by consistently higher destruction efficiencies for C2H6 across all engine types. The data indicates a preferential destruction of C2H6 (and higher hydrocarbons) relative to CH4; the exhaust gas C2/C1 ratio is consistently lower than the fuel gas C2/C1 ratio. Additionally, recent design modifications at O&G production facilities resulted in a reduction of both C2H6 and CH4 emissions with a more pronounced reduction in C2H6 emissions. In the Denver-Julesburg basin in Colorado, natural gas production increased by 73.9 % from 2015 to 2021. Despite these increases, the companion paper by Daley et al. (2025) reveals that top-down CH4 and C2H6 emissions from oil and natural gas facilities decreased by -25.3%% and 63.6 %, respectively. This work provides a possible explanation and may indicate a shift in emissions from the production sector to the midstream sector.
Read moreRecent extensive metatranscriptome mining vastly expanded the range of apparently covalently closed circular (ccc) RNA replicons. A notable family of such replicons is Obelisks, ~1 kilobase (kb) cccRNAs encoding a protein with a unique fold, Oblin-1, and detected in diverse metatranscriptomes. To identify potential cccRNAs in a sequence similarity-independent manner, we adopt the Fragmented and primer-Ligated DsRNA Sequencing (FLDS) method to selectively sequence double-stranded (ds) RNAs, replicative intermediates of RNA replicons. We focus on candidates with predicted extensive intramolecular base-pairing, a hallmark of viroid-like elements. Using FLDS, we explore metatranscriptomes from acidic hot springs in Japan and discover a distinct family of Obelisks apparently associated with thermoacidophilic bacteria (Hot spring Obelisks, HsObs). Despite lacking sequence similarity to known Oblins, HsObs share key features, including ~1 kb genome size, rod-like RNA secondary structure, and the predicted fold of the encoded protein, HsOblin. A comprehensive metatranscriptome search for Oblin-1 and HsOblin homologs expands Obelisk diversity about two-fold, revealing multiple subfamilies sharing the same core fold,. some of which are also predicted to encode additional small proteins with simple alpha-helical folds. These findings highlight Obelisks as widespread and overlooked components of microbial ecosystems, expanding understanding of viroid-like RNA replicon diversity and evolution.
Read moreMost bacteria encode multiple antiphage defence systems, but how these systems interact, remains poorly understood. Here, we define the mechanism of Druantia III and explore its synergy with Zorya II. Druantia III is a late-acting defence where DruH is the likely infection sensor and DruE is a helicase-nuclease effector that engages ssDNA-containing replication intermediates. Druantia III and Zorya II are each sensitive to the loss of RecD, whereas their synergy requires an intact RecBCD complex, indicating that the combined response depends on a shared DNA-processing hub. During T3 infection, Zorya apparently preserves this hub by limiting accumulation of the phage RecBCD-inhibitor Gp5.9, whereas DruE together with RecBCD promote the formation of DNA structures permissive for ZorE cleavage. During Bas37 infection, Druantia provides the dominant pathway and recruits ZorE in a non-canonical, ZorAB-independent manner. These findings show how shared DNA intermediates can connect defence systems into a coordinated antiphage response.
Read moreRational development of transition-metal catalysts, even when guided by theory and mechanistic knowledge, involves significant trial and error. Although ML offers the potential to accelerate catalyst discovery and optimization, accurately modeling the complex structures of catalysts and the multistep mechanisms by which they react remains challenging with the limited sets of data available. Olefin hydroformylation is a quintessential example of this challenge: its catalytic cycle involves many, often reversible, steps, and decades of study have not yielded reliable structure-selectivity relationships. We report Libra-ML, a 3D structure-based deep learning approach for predicting experimental outcomes of transition-metal catalyzed reactions. To demonstrate the ability of Libra-ML to model the outcomes of complex catalytic reactions, we predicted the regioselectivity of hydroformylation with terminal olefins catalyzed by rhodium complexes. Comparisons to existing methods demonstrate the state-of-the-art performance of Libra-ML and illustrate the importance of capturing 3D structure to predict experimental outcomes with molecular catalysts.
Read moreBACKGROUND: Global disparities exist in cancer incidence, mortality, and survival. We aimed to provide estimates of avoidable deaths among people diagnosed with cancer to inform the prioritisation of interventions and narrow cancer inequalities. METHODS: National incidence estimates for 35 cancer sites in 2022 for 185 countries were extracted from the GLOBOCAN database. We estimated numbers of avoidable deaths within 5 years of diagnosis for patients diagnosed with cancer in 2022, consisting of those deaths avoidable through primary prevention (preventable deaths) and those avoidable through early detection and improved access to treatment (treatable deaths) by cancer site, country, region, and human development index (HDI) group. Preventable deaths were estimated using population attributable fractions for tobacco use, alcohol consumption, excess body weight, infectious agents, and ultraviolet radiation obtained from the literature. Treatable deaths were estimated by eliminating survival differences using 5-year net survival from the SURVCAN-3 project and additional sources. Preventable, treatable, and overall avoidable deaths as proportions of the total expected deaths within 5 years of cancer diagnosis were also calculated. FINDINGS: 5 years after cancer diagnosis, 4·5 million (47·6% [95% uncertainty interval 47·5-47·8]) of the 9·4 million expected deaths were avoidable. Of these avoidable deaths, 3·1 million (3·1-3·1; 33·2% [33·1-33·3] of total expected deaths) were preventable and 1·4 million (1·4-1·4; 14·4% [14·4-14·5]) were treatable. Lung, liver, stomach, colorectal, and cervical cancers contributed the greatest burden, collectively accounting for 59·1% of all avoidable deaths. Lung cancer was responsible for the most preventable deaths (1·1 million; 34·6% of all preventable deaths), while female breast cancer was responsible for the most treatable deaths (0·2 million; 14·8% of all treatable deaths). Disproportionately large proportions of avoidable deaths from cervical and breast cancer were observed in countries with a low or medium HDI. INTERPRETATION: Nearly half of deaths among people diagnosed with cancer globally could be avoided through primary prevention and improvements in early detection and curative cancer treatment. Global efforts are needed to tailor prevention, early diagnosis, and treatment of cancer to address inequities in avoidable deaths, especially in low and medium HDI countries. FUNDING: Erasmus Mundus Exchange Programme and French National Cancer Institute (INCa).
Read moreLocalization of carrier wave functions to the quantum-well portion of the CdS/HgS quantum-dot quantum well (QDQW) is investigated. Nanosecond hole-burning (HB) spectra measure the photoinduced exciton coupling to a ${250\ensuremath{-}\mathrm{c}\mathrm{m}}^{\mathrm{\ensuremath{-}}1}$ HgS phonon mode indicative of localization. Femtosecond pump-probe spectroscopy of these QDQW, however, show the photoinduced exciton couples to coherent ${300\ensuremath{-}\mathrm{c}\mathrm{m}}^{\mathrm{\ensuremath{-}}1}$ CdS longitudinal optical-phonon modes, which is indicative of delocalization throughout the QDQW. Femtosecond HB and three pulse pump-dump experiments reveal these results are dependent on the time scale of the experiment. These experiments indicate that the initially photoexcited electron and hole wave functions are weakly confined to the HgS monolayer. Only after long times (\ensuremath{\sim}400 fs) will the exciton localize to the HgS well. These results indicate that the primary optical interaction excites electrons from a delocalized QDQW ground state and not from a localized HgS well state.
Read more<ns3:p>The article discusses the impact of seal failure in insulating glass unit (IGUs) and the resulting loss of filling gas on deflections as well as the operational safety of glass structures, with particular emphasis on roof glazing and skylights. The main objective was to demonstrate the critical role of the gas in ensuring composite action between the glass panes when transferring external loads. Numerical analyses were performed in the RF-Glass module of the RFEM 5 software for typical insulating glass configurations. The behavior of the glazing unit in a fully sealed state was compared with the situation after seal failure and gas loss, where the external load is borne solely by the outer pane. Additional comparisons of various structural variants (different thicknesses, tempering, lamination of inner and outer panes, as well as single-chamber and double-chamber arrangements) made it possible to assess how modifications to the glazing composition affect stiffness and stress levels. The results highlight that gas loss significantly worsens the working conditions of the outer pane and may lead to exceeding the ultimate limit state of load-bearing capacity. In extreme cases, this can result in sudden failure of the element and pose a risk to user safety. The article emphasizes the need for special care regarding the airtightness of insulating glass units and the rational selection of layer configurations in the design of modern metal-glass structures.</ns3:p>
Read moreJanus particles reveal transient propulsion forces with a median of 4.5-6.2 pN lasting on average 21-41 ms and reaching up to 20 pN under optical confinement. Simulations incorporating these transient forces reproduce the observed trajectories, confirming their role in driving active motion. Functionalization with long DNA polymers further enhances directional motion by reducing rotational diffusion. These results establish a single-particle framework for quantifying active forces in photocatalytic Janus particles and offer design principles for light-powered micromotors.
Read moreWe have demonstrated that seeded growth of nanocrystals offers a convenient way to design nanoheterostructures with complex shapes and\nmorphologies by changing the crystalline structure of the seed. By using CdSe nanocrystals with wurtzite and zinc blende structure as seeds\nfor growth of CdS nanorods, we synthesized CdSe/CdS heterostructure nanorods and nanotetrapods, respectively. Both of these structures\nshowed excellent luminescent properties, combining high photoluminescence efficiency (∼80 and ∼50% for nanorods and nanotetrapods,\ncorrespondingly), giant extinction coefficients (∼2 × 10<sup>7</sup> and ∼1.5 × 10<sup>8</sup> M<sup>-1</sup> cm<sup>-1</sup> at 350 nm for nanorods and nanotetrapods, correspondingly),\nand efficient energy transfer from the CdS arms into the emitting CdSe core.
Read moreAbstract Ensuring consistent product quality in modern manufacturing is crucial, particularly in safety-critical applications. Conventional quality control approaches rely on manually defined features and lack adaptability to the complexity and variability inherent in production data. Conversely, data-driven methods, such as machine learning, demonstrate high detection performance but typically function as black-box models, thereby limiting their acceptance in industrial environments. This paper introduces a methodology for industrial fault detection in the domain of crimping, a safety-critical joining technique, which is both data-driven and transparent. The approach integrates a supervised machine learning model for multi-class fault classification, Shapley Additive Explanations for post-hoc interpretability and a domain-specific visualization technique that maps model explanations to interpretable features. The model explanations are assessed with a quantitative perturbation analysis and the visualization technique is evaluated qualitatively by domain experts. The approach achieves a fault detection accuracy of 95.9 %, and both quantitative selectivity analysis and qualitative expert evaluations confirmed the relevance of the generated explanations. This case study contributes to data-driven and interpretable quality control systems in manufacturing.
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