Positioning Social Work Researchers for Engaged Scholarship to Promote Public Impact

The concept of engaged scholarship has garnered significant attention across numerous scientific disciplines. Engaged scholarship can be conceptualized as both a method centered on cocreating and applying new knowledge and a movement focused on prioritizing community identification of needs and social problem-solving strategies. In an effort to position social work researchers for engaged scholarship to promote public impact, we provide an overview of the following engaged-scholarship mechanisms: (a) community-based participatory research, (b) participatory action research, (c) practice-based research networks, (d) translational research, (e) transdisciplinary scientific collaborations, (f) systemic evaluation, and (g) developmental evaluation. We address the contextual factors that may influence the extent to which social work researchers can successfully pursue engaged scholarship and conclude by explicating a plausible relationship between engaged scholarship and public impact scholarship. Specifically, we apply the diffusion of innovations model and community dissonance theory to conceptually position engaged scholarship as a vehicle for promoting and optimizing public impact scholarship

There's no place like real-space:elucidating size-dependent atomic structure of nanomaterials using pair distribution function analysis

The development of new functional materials builds on an understanding of the intricate relationship between material structure and properties, and structural characterization is a crucial part of materials chemistry. However, elucidating the atomic structure of nanomaterials remains a challenge using conventional diffraction techniques due to the lack of long-range atomic order. Over the past decade, Pair Distribution Function (PDF) analysis of X-ray or neutron total scattering data has become a mature and well-established method capable of giving insight into the atomic structure in nanomaterials. Here, we review the use of PDF analysis and modelling in characterization of a range of different nanomaterials that exhibit unique atomic structure compared to the corresponding bulk materials. A brief introduction to PDF analysis and modelling is given, followed by examples of how essential structural information can be extracted from PDFs using both model-free and advanced modelling methods. We put an emphasis on how the intuitive nature of the PDF can be used for understanding important structural motifs, and on the diversity of applications of PDF analysis to nanostructure problems

New Genus and Species of Aporocotylidae (Digenea) from a Basal Actinopterygian, the American Paddlefish, Polyodon spathula, (Acipenseriformes: Polyodontidae) from the Mississippi Delta

Acipensericola petersoni n. gen., n. sp. (Digenea: Aporocotylidae) infects the heart of the American paddlefish Polyodon spathula (Walbaum, 1792) in the Mississippi Delta. It has robust, spike-like body spines arranged in ventrolateral transverse rows; a bowl-shaped anterior sucker centered on the mouth and having minute spines on the inner anteroventral surface only; a pharynx; an inverse U-shaped ceca extending to near the posterior body end; intercecal testes comprising a pre-ovarian testicular column plus a single testis posteriorly; an extensively lobed ovary located medially and immediately posterior to the testicular column; a spherical ootype that is intercecal and post-ovarian; a Laurer’s canal; and a common genital pore. The new species is the first-named aporocotylid collected from a basal actinopterygian. It resembles the chondrichthyan aporocotylids Chimaerohemecus trondheimensis, Orchispirium heterovitellatum, and Hyperandrotrema cetorhini in having an inverse U-shaped ceca, but it is morphologically most similar to the anguilliform aporocotylid Paracardicoloides yamagutii in having that feature plus a comparable anterior sucker, a single testis posteriorly, an intertesticular ovary, and a common genital pore. Sequence data for the complete small subunit ribosomal DNA (18S) do not refute its membership within Aporocotylidae nor its affinity to 1 of those aforementioned aporocotylids: A. petersoni was basal to the few teleost aporocotylids analyzed, and C. trondheimensis was the only taxon basal to A. petersoni. We regard the specimens of Spirorchis sp. previously reported from the shortnose sturgeon Acipenser brevirostrum Lesueur, 1818 as congeneric with the new species

CHILI: Chemically-Informed Large-scale Inorganic Nanomaterials Dataset for Advancing Graph Machine Learning

Advances in graph machine learning (ML) have been driven by applications in chemistry as graphs have remained the most expressive representations of molecules. While early graph ML methods focused primarily on small organic molecules, recently, the scope of graph ML has expanded to include inorganic materials. Modelling the periodicity and symmetry of inorganic crystalline materials poses unique challenges, which existing graph ML methods are unable to address. Moving to inorganic nanomaterials increases complexity as the scale of number of nodes within each graph can be broad ($10$ to $10^5$). The bulk of existing graph ML focuses on characterising molecules and materials by predicting target properties with graphs as input. However, the most exciting applications of graph ML will be in their generative capabilities, which is currently not at par with other domains such as images or text. We invite the graph ML community to address these open challenges by presenting two new chemically-informed large-scale inorganic (CHILI) nanomaterials datasets: A medium-scale dataset (with overall >6M nodes, >49M edges) of mono-metallic oxide nanomaterials generated from 12 selected crystal types (CHILI-3K) and a large-scale dataset (with overall >183M nodes, >1.2B edges) of nanomaterials generated from experimentally determined crystal structures (CHILI-100K). We define 11 property prediction tasks and 6 structure prediction tasks, which are of special interest for nanomaterial research. We benchmark the performance of a wide array of baseline methods and use these benchmarking results to highlight areas which need future work. To the best of our knowledge, CHILI-3K and CHILI-100K are the first open-source nanomaterial datasets of this scale -- both on the individual graph level and of the dataset as a whole -- and the only nanomaterials datasets with high structural and elemental diversity.Comment: 16 pages, 15 figures, 8 tables. Dataset is available at https://github.com/UlrikFriisJensen/CHIL

Cluster-mining: An approach for determining core structures of metallic nanoparticles from atomic pair distribution function data

We present a novel approach for finding and evaluating structural models of small metallic nanoparticles. Rather than fitting a single model with many degrees of freedom, the approach algorithmically builds libraries of nanoparticle clusters from multiple structural motifs, and individually fits them to experimental PDFs. Each cluster-fit is highly constrained. The approach, called cluster-mining, returns all candidate structure models that are consistent with the data as measured by a goodness of fit. It is highly automated, easy to use, and yields models that are more physically realistic and result in better agreement to the data than models based on cubic close-packed crystallographic cores, often reported in the literature for metallic nanoparticles

Structure–property insights into nanostructured electrodes for Li-ion batteries from local structural and diffusional probes

Microwave heating presents a faster, lower energy synthetic methodology for the realization of functional materials. Here, we demonstrate for the first time that employing this method also leads to a decrease in the occurrence of defects in olivine structured LiFe1−xMnxPO4. For example, the presence of antisite defects in this structure precludes Li+ diffusion along the b-axis leading to a significant decrease in reversible capacities. Total scattering measurements, in combination with Li+ diffusion studies using muon spin relaxation (μ+SR) spectroscopy, reveal that this synthetic method generates fewer defects in the nanostructures compared to traditional solvothermal routes. Our interest in developing these routes to mixed-metal phosphate LiFe1−xMnxPO4 olivines is due to the higher Mn2+/3+ redox potential in comparison to the Fe2+/3+ pair. Here, single-phase LiFe1−xMnxPO4 (x = 0, 0.25, 0.5, 0.75 and 1) olivines have been prepared following a microwave-assisted approach which allows for up to 4 times faster reaction times compared to traditional solvothermal methods. Interestingly, the resulting particle morphology is dependent on the Mn content. We also examine their electrochemical performance as active electrodes in Li-ion batteries. These results present microwave routes as highly attractive for reproducible, gram-scale syntheses of high quality nanostructured electrodes which display close to theoretical capacity for the full iron phase

Spatially Localized Synthesis and Structural Characterization of Platinum Nanocrystals Obtained Using UV Light

Platinum nanocrystals with a fine control of the crystal domain size in the range 1.0–2.2 nm are produced by tuning the NaOH concentration during the UV-induced reduction of H$_2$PtCl$_6$ in surfactant-free alkaline ethylene glycol. The colloidal solutions obtained are characterized by transmission electron microscopy and pair distribution function analysis, allowing analysis of both atomic and nanoscale structures. The obtained nanoparticles exhibit a face-centered cubic crystal structure even for the smallest nanoparticles, and the cubic unit cell parameter is significantly reduced with decreasing crystallite size. It is further demonstrated how the “UV-approach” can be used to achieve spatial control of the nucleation and growth of the platinum nanocrystals, which is not possible by thermal reduction

The association between newborn regional body composition and cord blood concentrations of C-peptide and insulin-like growth factor I

Third trimester fetal growth is partially regulated by C-peptide and insulin-like growth factor I (IGF-I). Prenatal exposures including maternal obesity and high gestational weight gain as well as high birth weight have been linked to subsequent metabolic disease. We evaluated the associations between newborn regional body composition and cord blood levels of C-peptide and IGF-I.We prospectively included obese and normal-weight mothers and their newborns; cord blood was collected and frozen. Analyses of C-peptide and IGF-I were performed simultaneously, after recruitment was completed. Newborn regional body composition was assessed with dual-energy X-ray absorptiometry scanning (DXA) within 48 hours of birth.Three hundred thirty-six term infants were eligible to participate in the study; of whom 174 (52%) infants had cord blood taken. Total, abdominal and arm and leg fat mass were positively associated with C-peptide (p < 0.001). Arm and leg fat mass was associated with IGF-I concentration: 28 g [95% confidence interval: 4, 53] per doubling of IGF-I. There was no association between total or abdominal fat mass and IGF-I. Fat-free mass was positively associated with both C-peptide (p < 0.001) and IGF-I (p = 0.004).Peripheral fat tissue accumulation was associated with cord blood C-peptide and IGF-I. Total and abdominal fat masses were related to C-peptide but not to IGF-I. Thus, newborn adiposity is partially mediated through C-peptide and early linear growth is associated with IGF-I

Lattice dynamics reveals a local symmetry breaking in the emergent dipole phase of PbTe

Local symmetry breaking in complex materials is emerging as an important contributor to materials properties but is inherently difficult to study. Here we follow up an earlier structural observation of such a local symmetry broken phase in the technologically important compound PbTe with a study of the lattice dynamics using inelastic neutron scattering (INS). We show that the lattice dynamics are responsive to the local symmetry broken phase, giving key insights in the behavior of PbTe, but also revealing INS as a powerful tool for studying local structure. The new result is the observation of the unexpected appearance on warming of a new zone center phonon branch in PbTe. In a harmonic solid the number of phonon branches is strictly determined by the contents and symmetry of the unit cell. The appearance of the new mode indicates a crossover to a dynamic lower symmetry structure with increasing temperature. No structural transition is seen crystallographically but the appearance of the new mode in inelastic neutron scattering coincides with the observation of local Pb off-centering dipoles observed in the local structure. The observation resembles relaxor ferroelectricity but since there are no inhomogeneous dopants in pure PbTe this anomalous behavior is an intrinsic response of the system. We call such an appearance of dipoles out of a non-dipolar ground-state "emphanisis" meaning the appearance out of nothing. It cannot be explained within the framework of conventional phase transition theories such as soft-mode theory and challenges our basic understanding of the physics of materials