113 research outputs found

    q-AQUA: a many-body CCSD(T) water potential, including 4-body interactions, demonstrates the quantum nature of water from clusters to the liquid phase

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    Many model potential energy surfaces (PESs) have been reported for water; however, none are strictly from "first principles". Here we report such a potential, based on a many-body representation at the CCSD(T) level of theory up to the ultimate 4-body interaction. The new PES is benchmarked for the isomers of the water hexamer for dissociation energies, harmonic frequencies, and unrestricted diffusion Monte Carlo (DMC) calculations of the zero-point energies of the Prism, Book, and Cage isomers. Dissociation energies of several isomers of the 20-mer agree well with recent benchmark energies. Exploratory DMC calculations on this cluster verify the robustness of the new PES for quantum simulations. The accuracy and speed of the new PES are demonstrated for standard condensed phase properties, i.e., the radial distribution function and the self-diffusion constant. Quantum effects are shown to be substantial for these observables and also needed to bring theory into an excellent agreement with experiment

    H i, FRB, What’s Your z: The First FRB Host Galaxy Redshift from Radio Observations

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    Identification and follow-up observations of the host galaxies of fast radio bursts (FRBs) not only help us understand the environments in which the FRB progenitors reside, but also provide a unique way of probing the cosmological parameters using the dispersion measures (DMs) of FRBs and distances to their origin. A fundamental requirement is an accurate distance measurement to the FRB host galaxy, but for some sources viewed through the Galactic plane, optical/near-infrared spectroscopic redshifts are extremely difficult to obtain due to dust extinction. Here we report the first radio-based spectroscopic redshift measurement for an FRB host galaxy, through detection of its neutral hydrogen (H i) 21 cm emission using MeerKAT observations. We obtain an H i-based redshift of z = 0.0357 ± 0.0001 for the host galaxy of FRB 20230718A, an apparently nonrepeating FRB detected in the Commensal Real-time ASKAP Fast Transients survey and localized at a Galactic latitude of -0.°367. Our observations also reveal that the FRB host galaxy is interacting with a nearby companion, which is evident from the detection of an H i bridge connecting the two galaxies. A subsequent optical spectroscopic observation confirmed an FRB host galaxy redshift of 0.0359 ± 0.0004. This result demonstrates the value of H i to obtain redshifts of FRBs at low Galactic latitudes and redshifts. Such nearby FRBs whose DMs are dominated by the Milky Way can be used to characterize these components and thus better calibrate the remaining cosmological contribution to dispersion for more distant FRBs that provide a strong lever arm to examine the Macquart relation between cosmological DM and redshift

    The impact of the FREDDA dedispersion algorithm on H0 estimations with fast radio bursts

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    Fast radio bursts (FRBs) are transient radio signals of extragalactic origins that are subjected to propagation effects such as dispersion and scattering. It follows then that these signals hold information regarding the medium they have traversed and are hence useful as cosmological probes of the Universe. Recently, FRBs were used to make an independent measure of the Hubble constant H0, promising to resolve the Hubble tension given a sufficient number of detected FRBs. Such cosmological studies are dependent on FRB population statistics, cosmological parameters, and detection biases, and thus it is important to accurately characterize each of these. In this work, we empirically characterize the sensitivity of the Fast Real-time Engine for Dedispersing Amplitudes (FREDDA) which is the current detection system for the Australian Square Kilometre Array Pathfinder (ASKAP). We coherently redisperse high-time resolution data of 13 ASKAP-detected FRBs and inject them into FREDDA to determine the recovered signal-to-noise ratios as a function of dispersion measure. We find that for 11 of the 13 FRBs, these results are consistent with injecting idealized pulses. Approximating this sensitivity function with theoretical predictions results in a systematic error of 0.3 km s-1 Mpc-1 on H0 when it is the only free parameter. Allowing additional parameters to vary could increase this systematic by up to ∌ 1 km s-1 Mpc-1. We estimate that this systematic will not be relevant until ∌400 localized FRBs have been detected, but will likely be significant in resolving the Hubble tension

    Tracking neonicotinoids following their use as cotton seed treatments

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    Neonicotinoids are a leading class of insecticides on the global market, accounting for nearly 25%. They are widely used in both agricultural and residential settings. Causing neuron failure by irreversibly binding to the insect nicotinic acetylcholine receptor, neonicotinoids offer broad spectrum efficacy against a variety of pests. However, because they are non-selective with regard to insect species, there has been some concern with neonicotinoid use over threats to pollinators such as honeybees, and potential indirect effects to migratory waterfowl as a result of invertebrate prey population depletion. In order to study occurrence and fate of neonicotinoids (thiamethoxam and imidacloprid), we analyzed cotton leaves on plants grown from neonicotinoid-treated seeds and corresponding soil samples between cotton rows. Neonicotinoid concentration data from cotton leaves appears to be consistent with the claim that seed treatments protect plants for 3–4 weeks; by 30 days post-planting, neonicotinoid concentrations fell, in general, to 200 ng/g or lower. This represents about a 10-fold decrease from plant concentrations at approximately 2 weeks post-planting. It was found that neonicotinoids used as seed treatments remained present in the soil for months post planting and could be available for runoff. To that end, 21 playa wetlands were sampled; 10 had at least one quantifiable neonicotinoid present, three of which were classified as grassland or rangeland playas, two were urban, and the remaining five were cropland playas. In several instances, neonicotinoid concentrations in playas exceeded EPA chronic benchmarks for aquatic invertebrates

    Heterogeneous demand and supply for an insurance-linked credit product in Kenya: A stated choice experiment approach

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    We employ a discrete choice experiment to elicit demand and supply side preferences for insurance- linked credit, a promising market-based tool for managing agricultural weather risks and providing access to credit for farmers. We estimate preference heterogeneity using primary data from smallholder farmers and managers of lenders/insurers combined with household socio-economic survey data in Kenya. We analyse the choice data using maximum simulated likelihood and Hierarchical Bayes estimation of a mixed logit model. Although there are some similarities, we find that there is conflicting demand and supply side preferences for credit terms, collateral requirements, and loan use flexibility. We also analyse willingness to buy and willingness to offer for farmers and suppliers, respectively for the risk premium for different attributes and their levels. Identifying the preferred attributes and levels for both farmers and financial institutions can guide optimal packaging of insurance and credit providing market participation and adoption motivation for insurance-bundled credit product

    How the biotin–streptavidin interaction was made even stronger: investigation via crystallography and a chimaeric tetramer

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    The interaction between SA (streptavidin) and biotin is one of the strongest non-covalent interactions in Nature. SA is a widely used tool and a paradigm for protein–ligand interactions. We previously developed a SA mutant, termed Tr (traptavidin), possessing a 10-fold lower off-rate for biotin, with increased mechanical and thermal stability. In the present study, we determined the crystal structures of apo-Tr and biotin–Tr at 1.5 Å resolution. In apo-SA the loop (L3/4), near biotin's valeryl tail, is typically disordered and open, but closes upon biotin binding. In contrast, L3/4 was shut in both apo-Tr and biotin–Tr. The reduced flexibility of L3/4 and decreased conformational change on biotin binding provide an explanation for Tr's reduced biotin off- and on-rates. L3/4 includes Ser45, which forms a hydrogen bond to biotin consistently in Tr, but erratically in SA. Reduced breakage of the biotin–Ser45 hydrogen bond in Tr is likely to inhibit the initiating event in biotin's dissociation pathway. We generated a Tr with a single biotin-binding site rather than four, which showed a simi-larly low off-rate, demonstrating that Tr's low off-rate was governed by intrasubunit effects. Understanding the structural features of this tenacious interaction may assist the design of even stronger affinity tags and inhibitors

    Safeguarding human–wildlife cooperation

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    Human–wildlife cooperation occurs when humans and free-living wild animals actively coordinate their behavior to achieve a mutually beneficial outcome. These interactions provide important benefits to both the human and wildlife communities involved, have wider impacts on the local ecosystem, and represent a unique intersection of human and animal cultures. The remaining active forms are human–honeyguide and human–dolphin cooperation, but these are at risk of joining several inactive forms (including human–wolf and human–orca cooperation). Human–wildlife cooperation faces a unique set of conservation challenges, as it requires multiple components—a motivated human and wildlife partner, a suitable environment, and compatible interspecies knowledge—which face threats from ecological and cultural changes. To safeguard human–wildlife cooperation, we recommend: (i) establishing ethically sound conservation strategies together with the participating human communities; (ii) conserving opportunities for human and wildlife participation; (iii) protecting suitable environments; (iv) facilitating cultural transmission of traditional knowledge; (v) accessibly archiving Indigenous and scientific knowledge; and (vi) conducting long-term empirical studies to better understand these interactions and identify threats. Tailored safeguarding plans are therefore necessary to protect these diverse and irreplaceable interactions. Broadly, our review highlights that efforts to conserve biological and cultural diversity should carefully consider interactions between human and animal cultures. Please see AfricanHoneyguides.com/abstract-translations for Kiswahili and Portuguese translations of the abstract

    Safeguarding human–wildlife cooperation

    Get PDF
    Human–wildlife cooperation occurs when humans and free-living wild animals actively coordinate their behavior to achieve a mutually beneficial outcome. These interactions provide important benefits to both the human and wildlife communities involved, have wider impacts on the local ecosystem, and represent a unique intersection of human and animal cultures. The remaining active forms are human–honeyguide and human–dolphin cooperation, but these are at risk of joining several inactive forms (including human–wolf and human–orca cooperation). Human–wildlife cooperation faces a unique set of conservation challenges, as it requires multiple components—a motivated human and wildlife partner, a suitable environment, and compatible interspecies knowledge—which face threats from ecological and cultural changes. To safeguard human–wildlife cooperation, we recommend: (i) establishing ethically sound conservation strategies together with the participating human communities; (ii) conserving opportunities for human and wildlife participation; (iii) protecting suitable environments; (iv) facilitating cultural transmission of traditional knowledge; (v) accessibly archiving Indigenous and scientific knowledge; and (vi) conducting long-term empirical studies to better understand these interactions and identify threats. Tailored safeguarding plans are therefore necessary to protect these diverse and irreplaceable interactions. Broadly, our review highlights that efforts to conserve biological and cultural diversity should carefully consider interactions between human and animal cultures

    A spatial econometric approach to designing and rating scalable index insurance in the presence of missing data

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    Index-Based Livestock Insurance has emerged as a promising market-based solution for insuring livestock against drought-related mortality. The objective of this work is to develop an explicit spatial econometric framework to estimate insurable indexes that can be integrated within a general insurance pricing framework. We explore the problem of estimating spatial panel models when there are missing dependent variable observations and cross-sectional dependence, and implement an estimable procedure which employs an iterative method. We also develop an out-of-sample efficient cross-validation mixing method to optimise the degree of index aggregation in the context of spatial index models
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