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This study examined doctoral students' occupational socialization experiences in U.S. adapted physical activity doctoral programs. Twenty-eight doctoral students were recruited and participated in semistructured, in-depth interviews. Interview transcripts were analyzed through a collaborative qualitative analysis, which resulted in the construction of four themes: (a) early socialization experiences foster a positive, but limited impression of physical education and physical activity; (b) doctoral education is pursued to have a greater impact on the disability community; (c) relationships with socializing agents provide support during doctoral education; and (d) coursework and learning in the community facilitate preparation for faculty roles. The findings indicate that there are several similarities between doctoral students and their peers in other doctoral degree programs. Some of these similarities point to issues that may concern prospective doctoral students and faculty members in adapted physical activity terminal degree programs. [ABSTRACT FROM AUTHOR]

We present the work-biased path-sampling scheme to calculate chemical potentials in atomic scale simulations. This scheme is based on a series of chained insertion and deletion paths from N to N + 1 to N atom systems, the sampling being performed on the paths themselves rather than on the final configurations. Equations for parallel path generations as well as geometrically biased insertions or deletions are presented. We then present two applications of our approach for the uranium dioxide crystal. The first is a test case validation of our approach for the insertion of a Xe atom in UO2. The second explores the relationship between cluster structure stability and oxygen chemical potential in overstoichiometric UO2+x oxide as a function of temperature from 800 to 2000 K and composition, from UO2 to UO2.16, using two different empirical potentials. We find that the evolution of the oxygen chemical potential is irregular, with dips for specific numbers of added oxygen atoms. Five oxygen clusters are stable at 800 K and are associated with strong dips in the chemical potential values. At intermediate temperatures, clusters of four and five oxygen atoms compete in stability. They become unstable at the highest temperatures, and the evolution of the chemical potential is then monotonous with composition. [ABSTRACT FROM AUTHOR]

While the contemporary censorship movement is driven by aggressive demands for book bans in libraries and schools, the motivations and goals fueling the movement are far more complex. Examining these motivations and goals, this article argues that the movement is intentionally deploying censorship and disinformation to pursue cultural erasure of specific marginalized communities. By drawing on not just library and information science, but economics, psychology, and other fields of knowledge, this article explores the movement's objectives, origins, political approaches, deployment of technology, and tactics learned from previous movements. This detailed excoriation of the contemporary censorship movement, and the living legacy of its powerful antecedents, is intended to provide informational professionals and their supporters with a richer understanding of the threats that they are confronting and strategies for engaging these threats. [ABSTRACT FROM AUTHOR]

The stochastic dynamics of small elastic objects in fluid are central to many important and emerging technologies. It is now possible to measure and use the higher modes of motion of elastic structures when driven by Brownian motion alone. Although theoretical descriptions exist for idealized conditions, computing the stochastic multimodal dynamics for the complex conditions of an experiment is very challenging. We show that this is possible using deterministic finite-element calculations with the fluctuation dissipation theorem by exploring the multimodal stochastic dynamics of a doubly clamped nanobeam. We use a very general, and flexible, finite-element computational approach to quantify the stochastic dynamics of multiple modes simultaneously using only a single deterministic simulation. We include the experimentally relevant features of an intrinsic tension in the beam and the influence of a nearby rigid boundary on the dynamics through viscous fluid interactions. We quantify the stochastic dynamics of the first 11 flexural modes of the beam when immersed in air or water. We compare the numerical results with theory, where possible, and find excellent agreement. We quantify the limitations of the computational approach and describe its range of applicability. These results pave the way for computational studies of the stochastic dynamics of complex 3D elastic structures in a viscous fluid where theoretical descriptions are not available. [ABSTRACT FROM AUTHOR]

Methods of quantifying the electrostatics of charged interfaces are important in a range of research areas. The surface-selective nonlinear optical technique second harmonic generation (SHG) is a sensitive probe of interfacial electrostatics. Recent work has shown that detection of the SHG phase in addition to its amplitude enables direct quantification of the interfacial potential. However, the experimental challenge of directly detecting the phase interferometrically with sufficient precision and stability has led to the proposal and development of alternative techniques to recover the same information, notably through wavelength scanning or angle scanning, each of which has their own associated experimental challenges. Here, we propose a new polarization-based approach to recover the required phase information, building upon the previously established nonlinear optical null ellipsometry (NONE) technique. Although NONE directly returns only relative phase information between different tensor elements of the second-order susceptibility, it is shown that a symmetry relation that connects the tensor elements of the potential-dependent third-order susceptibility can be used to generate the absolute phase reference required to calculate the interfacial potential. The sensitivity of the technique to potential at varying surface charge densities and ionic strengths is explored by means of simulated data of the silica:water interface. The error associated with the use of the linearized Poisson–Boltzmann approximation is discussed and compared to the error associated with the precision of the measured NONE null angles. Overall, the results suggest that NONE is a promising approach for performing phase-resolved SHG based quantification of interfacial potentials that experimentally requires only the addition of standard polarization optics to the basic single-wavelength, fixed-angle SHG apparatus. [ABSTRACT FROM AUTHOR]

Alkylated benzothienobenzothiophenes are an important class of organic semiconductors that exhibit high performance in solution-processed organic field-effect transistors. In this work, we study the near-edge x-ray absorption fine-structure (NEXAFS) spectra of 2,7-didecyl[1]benzothieno[3,2-b][1]benzothiophene (C10-BTBT) at both the carbon and sulfur K-edges. Angle-resolved experiments of thin films are performed to characterize the dichroism associated with molecular orientation. First-principles calculations using the density functional theory-based many-body x-ray absorption spectroscopy (MBXAS) method are also performed to correlate the peaks observed and their dichroism with transitions to specific antibonding molecular orbitals. Interestingly, the dichroism of the dominant, lowest energy peak is opposite at the carbon and sulfur K-edges. While the low-energy peak at the carbon K-edge is assigned to carbon 1s → π* transitions with transition dipole moment (TDM) perpendicular to the planar BTBT core, the dominant low energy peak at the sulfur K-edge is assigned to sulfur 1s → σ* transitions with TDM oriented along the long axis of the BTBT core. These differences at the sulfur and carbon K-edges are understood through the MBAXS simulations that find a reordering of the energy of the lowest energy π* and σ* transitions at the sulfur K-edge due to the strong localization of the σ* orbital over the sulfur atom. This work highlights differences in the NEXAFS spectra of organic semiconductors at carbon and sulfur K-edges and provides new insights into peak assignment and x-ray dichroism relevant for studying the molecular orientation of organic semiconductor films. [ABSTRACT FROM AUTHOR]

The study examines the impact of the incorporation of quantum-sized nickel (Ni) nanoparticles in TiO2 (titanium dioxide) matrix at 1%, 3%, and 5% weight percentages by straightforward, easy, and potentially effective synthesis strategy of direct doping. The structural, morphological, optical, and electrical characterization studies of synthesized films are systematically done and the photovoltaic, photocatalytic applications are evaluated. The integration of nickel into TiO2 influences its photovoltaic properties by enhancing the open-circuit voltage (Voc). However, higher concentrations lead to increased recombination and defects, decreasing efficiency. On conducting photocatalytic studies, TiO2 doped with 1 wt. % nickel exhibits superior photocatalytic efficiency, surpassing that of undoped TiO2. This improvement in photovoltaic and photocatalytic performance is attributed to better charge separation and reduced recombination. However, optimizing nickel levels is crucial for maximizing benefits for the applications using the performed synthesis strategy. [ABSTRACT FROM AUTHOR]

As a demonstration of how fundamental chemical concepts can be gleaned from data using machine learning methods, we demonstrate the automated detection of hydrogen bonds by statistical analysis of molecular dynamics trajectories. In particular, we infer the existence and nature of electrostatically driven noncovalent interactions by examining the relative probability of supramolecular configurations with and without electrostatic interactions. Then, using Laplacian eigenmaps clustering, we identify hydrogen bonding motifs in hydrogen fluoride, water, and methanol. The hydrogen bonding motifs that we identify support traditional geometric criteria. [ABSTRACT FROM AUTHOR]

The features and the electronic character of the states for the Ni 2p x-ray photoelectron spectroscopy (XPS) of Ni(OH)2 were analyzed. This detailed analysis is based on ab initio molecular orbital wavefunctions for a cluster model of Ni(OH)2. The theory is validated by comparison with experiment. Then, advanced methods are used to explain and contrast the properties of different groups of ionic states. An important conclusion is that in most cases, the ionic states cannot be described with a single configuration or determinant. Despite this essential many-body character of the XPS, we demonstrate that it is possible to understand the origin of the main and satellite XPS features in terms of their orbital character. [ABSTRACT FROM AUTHOR]

To mimic the intricate and adaptive functionalities of biological ion channels, electrohydrodynamic ion transport has been studied extensively, albeit mostly, across uniformly charged nanochannels. Here, we analyze the ion transport under coupled electric field and pressure across heterogeneously charged nanopores with oppositely charged sections on their lateral surface. We only consider such pores with symmetric hourglass-like and cylindrical shapes to focus on the effects of the non-uniform surface charge distribution. Finite-element simulations of a continuum model demonstrate that a pressure applied in either direction of the pore-axis equally suppresses or amplifies the ionic conductance, depending on the electric field polarity, by distorting the quasi-static distribution of ions in the pore. The resulting anomalous mechanical deactivation and activation of ionic current under opposite voltage biases exhibit the functional modularity of our setup, while their intensities are highly tunable, substantially greater than those of analogous behaviors in other nanochannels, and fundamentally correlated to ionic current rectification (ICR) in our pores. A detailed study of ICR subsequently reveals its counterintuitive non-monotonous variations, in the pores, with the magnitude of applied voltage and the pore length, that can help optimize their diode-like behavior. We further illustrate that while the hourglass-shaped nanopores yield the more efficient mechanical suppressors of ion transport, their cylindrical analogs are the superior rectifiers and mechanical amplifiers of ion conduction. Therefore, this article provides a blueprint for the strategic design of nanofluidic circuits to attain a robust, modular, and tunable control of ion transport under external electrical and mechanical stimuli. [ABSTRACT FROM AUTHOR]

Organic matter can initiate heterogeneous ice nucleation in supercooled water droplets, thereby influencing atmospheric cloud glaciation. Predicting the ice nucleation ability of organic matter-containing cloud droplets is challenging due to the unknown mechanism for templating ice. Here, we observed the presence of nanoparticles in aqueous samples of known ice-nucleating biopolymers cellulose and lignin, as well as in newly identified ice-nucleating biopolymers xylan and laminarin. Using our drop Freezing Ice Nuclei Counter (FINC), we measured the median ice nucleation temperature (T50) of xylan and of laminarin droplets of 2 μl to be −14.2 and −20.0 °C, respectively. Next, we characterized these samples using nanoparticle tracking analysis, and we detected and quantified nanoparticles with mean diameters between 132 and 267 nm. Xylan contained the largest nanoparticles and froze at higher temperatures. Xylan also dictated the freezing in a 1:1:1:1 mixture with cellulose, lignin, laminarin, and xylan. Filtration experiments down to 300 kDa with the xylan sample indicated that the presence of nanoparticles triggered freezing. Overall, only samples with mean diameters above 150 nm froze above −20 °C. Furthermore, we determined the ice-active site densities normalized to particle concentrations, surface area, and mass of the nanoparticles to show that the samples' nucleation site densities are similar to sea spray aerosols and nanometer-sized dust. The identification and characterization of xylan and laminarin as nanometer-sized ice-nucleating substances expands the growing list of organic matter capable of impacting cloud formation and thus climate. [ABSTRACT FROM AUTHOR]

This study critically examines the experiences of members of a sub-Saharan African men's recreational soccer club with anti-Black racism in a Western Canadian city. Drawing from extensive ethnographic fieldwork, and working at the intersections of Critical Race Theory and Physical Cultural Studies, our analysis focuses on how team members navigate a racial hierarchy that privileges Whiteness and cements their status as outsiders through both overt and subtle forms of racism on the pitch, and the laborious, retraumatizing challenges of "proving" these racist incidents to those in positions of institutional power. We underline the need for anti-racist and anti-oppressive policies and training, and independent judiciaries to monitor and address racist incidents and systemic racism—and its intersections with other forms of oppression—in Canadian sport cultures. [ABSTRACT FROM AUTHOR]

Recently, we presented a method to assign atomic partial charges based on the DASH (dynamic attention-based substructure hierarchy) tree with high efficiency and quantum mechanical (QM)-like accuracy. In addition, the approach can be considered "rule based"—where the rules are derived from the attention values of a graph neural network—and thus, each assignment is fully explainable by visualizing the underlying molecular substructures. In this work, we demonstrate that these hierarchically sorted substructures capture the key features of the local environment of an atom and allow us to predict different atomic properties with high accuracy without building a new DASH tree for each property. The fast prediction of atomic properties in molecules with the DASH tree can, for example, be used as an efficient way to generate feature vectors for machine learning without the need for expensive QM calculations. The final DASH tree with the different atomic properties as well as the complete dataset with wave functions is made freely available. [ABSTRACT FROM AUTHOR]

Calculation of Raman scattering from molecular dynamics (MD) simulations requires accurate modeling of the evolution of the electronic polarizability of the system along its MD trajectory. For large systems, this necessitates the use of atomistic models to represent the dependence of electronic polarizability on atomic coordinates. The bond polarizability model (BPM) is the simplest such model and has been used for modeling the Raman spectra of molecular systems but has not been applied to solid-state systems. Here, we systematically investigate the accuracy and limitations of the BPM parameterized from the density functional theory results for a series of simple molecules, such as CO2, SO2, H2S, H2O, NH3, and CH4; the more complex CH2O, CH3OH, CH3CH2OH, and thiophene molecules; and the BaTiO3 and CsPbBr3 perovskite solids. We find that BPM can reliably reproduce the overall features of the Raman spectra, such as shifts of peak positions. However, with the exception of highly symmetric systems, the assumption of non-interacting bonds limits the quantitative accuracy of the BPM; this assumption also leads to qualitatively inaccurate polarizability evolution and Raman spectra for systems where large deviations from the ground state structure are present. [ABSTRACT FROM AUTHOR]

The article celebrates the 95th year of Library Quarterly, a significant milestone in the field of librarianship. It highlights the journal's role in providing intellectual continuity and addressing key topics that have shaped the profession over the past century. The journal's upcoming centennial is marked by special articles and issues focusing on democracy, health, race, and equity, reflecting the current critical time in librarianship. The editors emphasize the importance of libraries in supporting intellectual freedom, promoting literacy, and fostering equity and inclusion, especially in the face of challenges such as censorship and disinformation. [Extracted from the article]

This study explored the classification experiences and views of Para Alpine skiers with visual impairment. Data from 11 interviews were analyzed using reflexive thematic analysis to generate three themes: Suitability—The skiers questioned the suitability of the visual measurements, testing environment, and the information they received regarding classification; Exclusivity—Skiers felt certain aspects of the system remain exclusive due to the restrictions of sport classes and lack of the athlete voice; and (Dis)trust—Skiers felt distrust in those implementing the system and in other athletes due to intentional misrepresentation. Speculation surrounding this resulted in the skiers' feeling doubt in their own classification. While there is not a "one size fits all" approach to classification, understanding skiers' experiences can be a vital first step and will help to guide future research into the evolution of this sport's classification. [ABSTRACT FROM AUTHOR]

This study explores the effect of molecular permanent dipole moment (PDM) on aggregation of guest molecules in phosphorescent host–guest organic light-emitting diodes (OLEDs). Through a combination of photoluminescence measurements, high-angle annular dark-field scanning transmission electron microscopy analysis, and an Ising model based physical vapor-deposition simulation, we show that higher PDM of tris[2-phenylpyridinato-C2,N]iridium(III) guest can actually lead to a reduced aggregation relative to tris[bis[2-(2-pyridinyl-N)phenyl-C] (acetylacetonato)iridium(III) when doped into a non-polar host 1,3,5-tris(carbazol-9-yl)benzene. This study further explores the effect of host polarity by using a polar host 3′,5′-di(carbazol-9-yl)-[1,1′-biphenyl]-3,5-dicarbonitrile, and it is shown that the polar host leads to reduced guest aggregation. This study provides a comprehensive understanding of the impact of molecular PDM on OLED material efficiency and stability, providing insights for optimizing phosphorescent OLED materials. [ABSTRACT FROM AUTHOR]

The outstanding catalytic property of cerium oxide (CeO2) strongly depends on the polaron formation due to the oxygen vacancy ( V ̈ O ) defect and Ce4+ to Ce3+ transformation. Temperature plays an important role in the case of polaron generation in CeO2 and highly influences its electrical transport properties. Therefore, a much needed attention is required for detailed understanding of the effect of temperature on polaron formation and oxygen vacancy migration to get an idea about the improvement in the redox property of ceria. In this work, we have probed the generation of polarons in CeO2 thin-film deposited on a silicon (Si) substrate using the resonance photoemission spectroscopy (RPES) study. The RPES data show an increase in polaron density at the substrate–film interface of the thermally annealed film, indicating the formation of an interfacial Ce2O3 layer, which is, indeed, a phase change from the cubic to hexagonal structure. This leads to a modified electronic band structure, which has an impact on the capacitance–voltage (C–V) characteristics. This result nicely correlates the microscopic property of polarons and the macroscopic transport property of ceria. [ABSTRACT FROM AUTHOR]

We have investigated pressure-induced amorphization (PIA) of an alcohol clathrate hydrate (CH) of cubic structure type I (sI) in the presence of NH4F utilizing dilatometry and x-ray powder diffraction. PIA occurs at 0.98 GPa at 77 K, which is at a much lower pressure than for other CHs of the same structure type. The amorphized CH also shows remarkable resistance against crystallization upon decompression. While amorphized sI CHs could not be recovered previously at all, this is possible in the present case. By contrast to other CHs, the recovery of the amorphized CHs to ambient pressure does not even require a high-pressure annealing step, where recovery without any loss of amorphicity is possible at 120 K and below. Furthermore, PIA is accessible upon compression at unusually high temperatures of up to 140 K, where it reaches the highest degree of amorphicity. Molecular dynamics simulations confirm that polar alcoholic guests, as opposed to non-polar guests, induce cage deformation at lower pressure. The substitution of NH4F into the host-lattice stabilizes the collapsed state more than the crystalline state, thereby enhancing the collapse kinetics and lowering the pressure of collapse. [ABSTRACT FROM AUTHOR]

Context: In this work, we have studied different properties of a series of fullerenes, from C24 to C50 by confining hydrogen molecule inside their cavity. The compression of the hydrogen molecule upon encapsulation is evidenced by its altered bond length, while a slight expansion of the fullerene cages due to H2 confinement is also noted. The chemical reactivity parameters of both the empty and H2 confined fullerenes are computed, alongside an examination of the energy components through energy decomposition analysis. Analysis of the absorption spectra indicated that both H2 encapsulated and empty fullerenes exhibited absorption in the UV region. Nevertheless, the inclusion of H2 within the fullerene cages appeared to have minimal influence on the reactivity parameters and absorption spectra, as evidenced by the comparison between the sets of empty and H2-confined fullerenes. Methods: The computational work including the geometry optimization, followed by the frequency analysis and other parameters has been achieved using Gaussian09 software. For doing these calculations, B3LYP and CAM-B3LYP functionals along with 6–311 + G(d,p) basis set is used. In addition, MULTIWFN software has been considered for studying bonding analysis and energy decomposition analysis for the systems. [ABSTRACT FROM AUTHOR]

Wavefunction forms based on products of electron pairs are usually constructed as closed-shell singlets, which is insufficient when the molecular state has a nonzero spin or when the chemistry is determined by d- or f - electrons. A set of two-electron forms are considered as explicit couplings of second-quantized operators to open-shell singlets. Geminal wavefunctions are constructed, and their structure is elaborated. Numerical results for small model systems clearly demonstrate improvement over closed-shell singlet pairs. [ABSTRACT FROM AUTHOR]

This review demonstrates the value of central pharmacodynamics (PD), including positron emission tomography (PET) and computerized cognitive testing, to supplement pharmacokinetic (PK) and peripheral PD for determining the target dose range for clinical efficacy testing of emestedastat, an 11β‐hydroxysteroid dehydrogenase 1 (11β‐HSD1) inhibitor. Combined data from 6 clinical trials in cognitively normal volunteers and patients with Alzheimer disease included a population PK model, endocrine PD, a human PET trial (11β‐HSD1 brain imaging), and computerized cognitive testing. PK and PET findings were similar in volunteers and patients with Alzheimer disease. PK modeling suggested that 20 mg daily would be optimal to maintain cerebrospinal fluid concentrations above the brain half maximal inhibitory concentration. However, subsequent PET scanning suggested that emestedastat doses of 10 or even 5 mg daily may be sufficient to adequately inhibit 11β‐HSD1. With once‐daily doses of 5–20 mg in cognitively normal, older volunteers, a consistent pattern of pro‐cognitive benefit, without dose‐response, was seen as improvement in attention and working memory but not episodic memory. Thus, emestedastat therapeutic activity might be attained at doses lower than those predicted from cerebrospinal fluid drug levels. Doses as low as 5 mg daily may be efficacious and were studied in subsequent trials. [ABSTRACT FROM AUTHOR]

As part of the evolving Industry 4.0 landscape, machine learning-based visual inspection plays a key role in enhancing production efficiency. Screen printing, a versatile and cost-effective manufacturing technique, is widely applied in industries like electronics, textiles, and automotive. However, the production of complex multilayered designs is error-prone, resulting in a variety of defect appearances and classes. These defects can be characterized as small in relation to large sample areas and weakly pronounced. Sufficient defect visualization and robust defect detection methods are essential to address these challenges, especially considering the permitted design variability. In this work, we present a novel automatic visual inspection system for surface defect detection on decorated foil plates. Customized optical modalities, integrated into a sequential inspection procedure, enable defect visualization of production-related defect classes. The introduced patch-wise defect detection methods, designed to leverage less labeled data, prove effective for industrial defect detection, meeting the given process requirements. In this context, we propose an industry-applicable and scalable data preprocessing workflow that minimizes the overall labeling effort while maintaining high detection performance, as known in supervised settings. Moreover, the presented methods, not relying on any labeled defective training data, outperformed a state-of-the-art unsupervised anomaly detection method in terms of defect detection performance and inference speed. [ABSTRACT FROM AUTHOR]

The study of hepatitis C virus (HCV) replication in cell culture is mainly based on cloned viral isolates requiring adaptation for efficient replication in Huh7 hepatoma cells. The analysis of wild-type (WT) isolates was enabled by the expression of SEC14L2 and by inhibitors targeting deleterious host factors. Here, we aimed to optimize cell culture models to allow infection with HCV from patient sera. We used Huh7-Lunet cells ectopically expressing SEC14L2, CD81, and a GFP reporter with nuclear translocation upon cleavage by the HCV protease to study HCV replication, combined with a drug-based regimen for stimulation of non-modified wild-type isolates. RT-qPCR-based quantification of HCV infections using patient sera suffered from a high background in the daclatasvir-treated controls. We therefore established an automated image analysis pipeline based on imaging of whole wells and iterative training of a machine learning tool, using nuclear GFP localization as a readout for HCV infection. Upon visual validation of hits assigned by the automated image analysis, the method revealed no background in daclatasvir-treated samples. Thereby, infection events were found for 15 of 34 high titer HCV genotype (gt) 1b sera, revealing a significant correlation between serum titer and successful infection. We further show that transfection of viral RNA extracted from sera can be used in this model as well, albeit with so far limited efficiency. Overall, we generated a robust serum infection assay for gt1b isolates using semi-automated image analysis, which was superior to conventional RT-qPCR-based quantification of viral genomes. [ABSTRACT FROM AUTHOR]

The phylogenetic relationships of the major lineages within Dinosauria have come under intense scrutiny in recent years. In 2017, a radical new hypothesis of early dinosaur evolution, the 'Ornithoscelida hypothesis', was proposed, prompting a flurry of work in this area. However, instead of untangling the phylogenetic tree of dinosaurs as hoped, this further research unravelled the scientific consensus on dinosaur origins and their early relationships. Multiple hypotheses have now been proposed, including several that position the 'traditionally' non-dinosaurian silesaurids within Dinosauria. There is no sign of an emerging consensus, with all possible combinations of the three major dinosaur clades (Ornithischia, Theropoda and Sauropodomorpha) having been recovered by recent phylogenetic analyses. The existence of several 'wildcard taxa' and clades with uncertain affinities around the base of Dinosauria complicates efforts to differentiate these hypotheses. Recent studies have suggested that the data sets used to investigate the phylogenetic relationships of Dinosauria might be fatally flawed. The construction of new data sets with a stronger focus on the logical underpinning of characters, in addition to the inclusion of newly described or redescribed taxa, will likely hold the key to resolving this debate. [ABSTRACT FROM AUTHOR]

Simple Summary: One of the main culprits of honey bee colony losses is the parasitic mite, Varroa destructor, which is primarily controlled with acaricides, which lose efficacy due to resistance and can contaminate honey. An alternative is to breed bees that are resistant to Varroa, which was conducted in this study by bidirectional selection for mite fall to obtain colonies with low (resistant) or high (susceptible) Varroa population growth (LVG and HVG, respectively). Selection for three generations resulted in greatly reduced Varroa population growth in LVG compared to HVG colonies. In addition, Varroa infestation rates of bees were lower in LVG colonies, and they had lower Deformed Wing Virus (DWV) infection levels. Survival of Varroa-parasitized bees was higher for LVG bees compared to HVG bees, which may help explain why colony winter survivorship was higher for LVG colonies than for HVG colonies. Selecting colonies of bees for LVG resulted in better individual and colony bee health, demonstrating its effectiveness as a means of breeding for controlling Varroa mites. Honey bee (Apis mellifera) population declines have been associated with the parasitic mite, Varroa destructor, which is currently primarily controlled by the use of acaricides. An alternative is to breed for resistance to Varroa, which was conducted in this study by bidirectional selection for mite fall to obtain colonies with low (resistant) or high (susceptible) Varroa population growth (LVG and HVG, respectively). Selection for three generations resulted in approx. 90% lower Varroa population growth in LVG than in HVG colonies. In addition, late summer Varroa infestation rates of brood and adults were both significantly lower in LVG colonies (p < 0.01), which was also significantly associated with lower Deformed Wing Virus (DWV) infection levels (p < 0.01). Survival of Varroa-parasitized bees was almost 50% higher for LVG bees compared to HVG bees (p < 0.01). Also, colony winter survivorship was significantly higher for LVG colonies than for HVG colonies (p < 0.05). However, the higher colony populations observed for LVG colonies were not significantly different from those of HVG colonies. Overall, individual and colony health was improved by selecting colonies for LVG, demonstrating its effectiveness as a means of breeding for controlling Varroa populations in honey bee colonies. [ABSTRACT FROM AUTHOR]

Mental health issues are widespread and significant among individuals with serious illness. Among patients receiving palliative care (PC), psychiatric comorbidities are common and impact patient quality of life. Despite their prevalence, PC clinicians face challenges in effectively addressing the intricate relationship between medical and psychiatric disorders due to their complex, intertwined and bidirectionally influential nature. This article, created collaboratively with a team of psychiatric–palliative care experts, is the second in a two-part series examining the bidirectional relationship between medical and psychiatric illness in PC. This article explores 10 prevalent psychiatric manifestations associated with severe illness and its treatment. Building upon the first article, which focused on 10 common physical manifestations of psychiatric illness among patients receiving PC, these two articles advocate for an integrated approach to PC that prioritizes mental and emotional wellbeing across the continuum of serious illness. [ABSTRACT FROM AUTHOR]

The rate of antibiotic resistance continues to grow, outpacing small-molecule-drug development efforts. Novel therapies are needed to combat this growing threat, particularly for the treatment of urinary tract infections (UTIs), which are one of the largest contributors to antibiotic use and associated antibiotic resistance. LBP-EC01 is a novel, genetically enhanced, six-bacteriophage cocktail developed by Locus Biosciences (Morrisville, NC, USA) to address UTIs caused by Escherichia coli , regardless of antibiotic resistance status. In this first part of the two-part phase 2 ELIMINATE trial, we aimed to define a dosing regimen of LBP-EC01 for the treatment of uncomplicated UTIs that could advance to the second, randomised, controlled, double-blinded portion of the study. This first part of ELIMINATE is a randomised, uncontrolled, open-label, phase 2 trial that took place in six private clinical sites in the USA. Eligible participants were female by self-identification, aged between 18 years and 70 years, and had an uncomplicated UTI at the time of enrolment, as well as a history of at least one drug-resistant UTI caused by E coli within the 12 months before enrolment. Participants were initially randomised in a 1:1:1 ratio into three treatment groups, but this part of the trial was terminated on the recommendation of the safety review committee after a non-serious tolerability signal was observed based on systemic drug exposure. A protocol update was then implemented, comprised of three new treatment groups. Groups A to C were dosed with intraurethral 2 × 1012 plaque-forming units (PFU) of LBP-EC01 on days 1 and 2 by catheter, plus one of three intravenous doses daily on days 1–3 of LBP-EC01 (1 mL of 1 × 1010 PFU intravenous bolus in group A, 1 mL of 1 × 109 PFU intravenous bolus in group B, and a 2 h 1 × 1011 PFU intravenous infusion in 100 mL of sodium lactate solution in group C). In all groups, oral trimethoprim–sulfamethoxazole (TMP–SMX; 160 mg and 800 mg) was given twice daily on days 1–3. The primary outcome was the level of LBP-EC01 in urine and blood across the treatment period and over 48 h after the last dose and was assessed in patients in the intention-to-treat (ITT) population who received at least one dose of LBP-EC01 and had concentration–time data available throughout the days 1–3 dosing period (pharmacokinetic population). Safety, a secondary endpoint, was assessed in enrolled patients who received at least one dose of study drug (safety population). As exploratory pharmacodynamic endpoints, we assessed E coli levels in urine and clinical symptoms of UTI in patients with at least 1·0 × 105 colony-forming units per mL E coli in urine at baseline who took at least one dose of study drug and completed their day 10 test-of-cure assessment (pharmacodynamic-evaluable population). This trial is registered with ClinicalTrials.gov , NCT05488340 , and is ongoing. Between Aug 22, 2022, and Aug 28, 2023, 44 patients were screened for eligibility, and 39 were randomly assigned (ITT population). Initially, eight participants were assigned to the first three groups. After the protocol was updated, 31 participants were allocated into groups A (11 patients), B (ten patients), and C (ten patients). One patient in group C withdrew consent on day 2 for personal reasons, but as she had received the first dose of the study drug was included in the modified ITT population. Maximum urine drug concentrations were consistent across intraurethral dosing, with a maximum mean concentration of 6·3 × 108 PFU per mL (geometric mean 8·8 log 10 PFU per mL and geometric SD [gSD] 0·3). Blood plasma level of bacteriophages was intravenous dose-dependent, with maximum mean concentrations of 4·0 × 103 (geometric mean 3·6 log 10 PFU per mL [gSD 1·5]) in group A, 2·5 × 103 (3·4 log 10 PFU per mL [1·7]) in group B, and 8·0 × 105 (5·9 log 10 PFU per mL [1·4]) in group C. No serious adverse events were observed. 44 adverse events were reported across 18 (46%) of the 39 participants in the safety population, with more adverse events seen with higher intravenous doses. Three patients in groups 1 to 3 and one patient in group C, all of whom received 1 × 1011 LBP-EC01 intravenously, had non-serious tachycardia and afebrile chills after the second intravenous dose. A rapid reduction of E coli in urine was observed by 4 h after the first treatment and maintained at day 10 in all 16 evaluable patients; these individuals had complete resolution of UTI symptoms by day 10. A regimen consisting of 2 days of intraurethral LBP-EC01 and 3 days of concurrent intravenous LBP-EC01 (1 × 1010 PFU) and oral TMP–SMX twice a day was well tolerated, with consistent pharmacokinetic profiles in urine and blood. LBP-EC01 and TMP–SMX dosing resulted in a rapid and durable reduction of E coli , with corresponding elimination of clinical symptoms in evaluable patients. LBP-EC01 holds promise in providing an alternative therapy for uncomplicated UTIs, with further testing of the group A dosing regimen planned in the controlled, double-blind, second part of ELIMINATE. Federal funds from the US Department of Health and Human Services, Administration for Strategic Preparedness and Response, and Biomedical Advanced Research and Development Authority (BARDA). [ABSTRACT FROM AUTHOR]

Advanced genomic technologies such as whole exome or whole genome sequencing have improved diagnoses and disease outcomes for individuals with genetic diseases. Yet, variants of unknown significance (VUS) require rigorous validation to establish disease causality or modification, or to exclude them from further analysis. Here, we describe a young individual of Polynesian ancestry who in the first 13 mo of life presented with SARS-CoV-2 pneumonia, severe enterovirus meningitis and adenovirus gastroenteritis, and severe adverse reaction to MMR vaccination. Genomic analysis identified a previously reported pathogenic homozygous variant in IFNAR1 (c.1156G > T, p.Glu386* LOF), which is common in Western Polynesia. Moreover, a new and putatively deleterious canonical splice site variant in DOCK8 was also found in homozygosity (c.3234 + 2T > C). This DOCK8 variant is common in Polynesians and other under-represented ancestries in large genomic databases. Despite in silico bioinformatic predictions, extensive in vitro and ex vivo analysis revealed the DOCK8 variant likely be neutral. Thus, our study reports a novel case of IFNAR1 deficiency, but also highlights the importance of functional validation of VUS, including those predicted to be deleterious, and the pressing need to expand our knowledge of the genomic architecture and landscape of under-represented populations and ancestries. [ABSTRACT FROM AUTHOR]

AbstractThe present study proposes trivariate-autoregressive moving average-generalized autoregressive conditional heteroscedasticity (TV-ARMA–GARCH) type Vine Copula model. The algorithm for generating a one-step-ahead forecast has been developed based on simulation. Detailed analysis of price volatility for three major vegetable crops across three geographically diverse markets in India has been carried out. The dataset comprises monthly price data for Tomato, Onion and Potato from January 2010 to July 2024, which is employed to assess the model’s forecasting accuracy. Comparative assessments are made against traditional time series models, including the multivariate-GARCH (MV-GARCH)-dynamic conditional correlation (DCC) model and the univariate (UV)-ARMA–GARCH model. Empirically, the results indicate that the TV-ARMA–GARCH type–Vine Copula model significantly outperforms these conventional models, as evidenced by evaluation metrics such as MAE (mean absolute error), RMSE (root mean square error), and MAPE (mean absolute percentage error). Additionally, the Diebold–Mariano test is utilized to validate the superior forecasting accuracy of the proposed model. The integration of Vine Copulas with the ARMA–GARCH type model significantly enhances price forecasting accuracy. This approach provides valuable insights for managing India’s complex agricultural markets. [ABSTRACT FROM AUTHOR]

Intervention analysis is used to study structural changes in data resulting from external events. Traditional time series intervention models, viz. autoregressive integrated moving average model with exogenous variables (ARIMA-X) and artificial neural networks with exogenous variables (ANN-X), rely on linear intervention functions such as step or ramp functions, or their combinations. However, when intervention effects are nonlinear, growth models may offer a viable alternative. This study proposed a new algorithm for time series intervention analysis employing ARIMA and ANN models with a nonlinear intervention function. The Hoerl function has been introduced as a nonlinear intervention function. To demonstrate the effectiveness of the proposed model, monthly wholesale price data from three markets in Rajasthan, namely, Tonk, Alwar and Sriganganagar during January 2010 to May 2023 have been used. The analysis encompassed a comprehensive examination across all markets, revealing that the proposed models consistently outperformed the conventional ARIMA-X and ANN-X methodologies in terms of performance and accuracy. [ABSTRACT FROM AUTHOR]

A plausible, but largely unexplored reason for many weed biocontrol agents failing to establish or being ineffective, could involve abiotically induced changes to an invasive plants' biochemical phenotype and consequent enhanced herbivore resistance. Considerable literature demonstrates that chemically altered plant phenotypes can impair insect life history performance. Heather beetle, (Lochmaea suturalis), introduced to control invasive heather (Calluna vulgaris) in New Zealand (NZ) was difficult to establish and displays variable effectiveness. Using UHPLC-MS non-targeted metabolomics, we analysed primary and secondary metabolites of C. vulgaris from its native range (Scotland) and it's introduced range (NZ), between which, differences in soil nutrients and ultraviolet light exist. We also explored secondary metabolite variation between sites within each range. New Zealand samples had the highest number of amplified metabolites, most notably defensive phenylpropanoids, supporting the concept of abiotically induced upregulation of key biosynthetic pathways. Analysis of secondary metabolite variation within each range revealed differences between sites but found little correlation of phenylpropanoid levels being influenced by variable soil nutrients. These results validate questions about the possibility of abiotically altered biochemical phenotypes in invasive plants, influencing weed biocontrol agent establishment and effectiveness, and show the potential for metabolomics in assisting future, or retrospectively analysing biological control programmes. [ABSTRACT FROM AUTHOR]

Background: Geometric distortion is a serious problem in MRI, particularly in MRI guided therapy. A lack of affordable and adaptable tools in this area limits research progress and harmonized quality assurance. Purpose: To develop and test a suite of open‐source hardware and software tools for the measurement, characterization, reporting, and correction of geometric distortion in MRI. Methods: An open‐source python library was developed, comprising modules for parametric phantom design, data processing, spherical harmonics, distortion correction, and interactive reporting. The code was used to design and manufacture a distortion phantom consisting of 618 oil filled markers covering a sphere of radius 150 mm. This phantom was imaged on a CT scanner and a novel split‐bore 1.0 T MRI magnet. The CT images provide distortion‐free dataset. These data were used to test all modules of the open‐source software. Results: All markers were successfully extracted from all images. The distorted MRI markers were mapped to undistorted CT data using an iterative search approach. Spherical harmonics reconstructed the fitted gradient data to 1.0 ± 0.6% of the input data. High resolution data were reconstructed via spherical harmonics and used to generate an interactive report. Finally, distortion correction on an independent data set reduced distortion inside the DSV from 5.5 ± 3.1 to 1.6 ± 0.8 mm. Conclusion: Open‐source hardware and software for the measurement, characterization, reporting, and correction of geometric distortion in MRI have been developed. The utility of these tools has been demonstrated via their application on a novel 1.0 T split bore magnet. [ABSTRACT FROM AUTHOR]

ALSUntangled reviews alternative and off-label treatments on behalf of people with ALS (PALS) who ask about them. Here, we review withania somnifera (WS) commonly known as ashwagandha or winter cherry. WS has plausible mechanisms for slowing ALS progression because of its effects on inflammation, oxidative stress, autophagy, mitochondrial function, and apoptosis. Preclinical trials demonstrate that WS slows disease progression in multiple different animal models of ALS. Of the five individuals we found who described using WS for their ALS, two individuals reported moderate benefit while none reported experiencing any significant side effects. There is currently one clinical trial using WS to treat PALS; the results are not yet published. There are no serious side effects associated with WS and the associated cost of this treatment is low. Based on the above information, WS appears to us to be a good candidate for future ALS trials. [ABSTRACT FROM AUTHOR]

One of the most reactive intermediates for oxidative reactions is the oxyl radical, an electron-deficient oxygen atom. The discovery of a new vibration upon photoexcitation of the oxygen evolution catalysis detected the oxyl radical at the SrTiO3 surface. The vibration was assigned to a motion of the sub-surface oxygen underneath the titanium oxyl (Ti–O●−) created upon hole transfer to (or electron extraction from) a hydroxylated surface site. Evidence for such an interfacial mode is derived from its spectral shape, which exhibited a Fano resonance—a coupling of a sharp normal mode to continuum excitations. Here, this Fano resonance is utilized to derive precise formation kinetics of the oxyl radical and its associated potential energy surface (PES). From the Fano lineshape, the formation kinetics are obtained from the anti-resonance (the kinetics of the coupling factor), the resonance (the kinetics of the coupled continuum excitations), and the frequency integrated spectrum (the kinetics of the normal mode's cross-section). All three perspectives yield logistic function growth with a half-rise of 2.3 ± 0.3 ps and a time constant of 0.48 ± 0.09 ps. A non-equilibrium transient associated with photoexcitation is separated from the rise of the equilibrated PES. The logistic function characterizes the oxyl coverage at the very initial stages (t ∼ 0) to have an exponential growth rate that quickly decreases toward zero as a limiting coverage is reached. Such time-dependent reaction kinetics identify a dynamic activation barrier associated with the formation of a PES and quantify it for oxyl radical coverage. [ABSTRACT FROM AUTHOR]

When used as pump pulses in transient absorption spectroscopy measurements, femtosecond laser pulses can produce oscillatory signals known as quantum beats. The quantum beats arise from coherent superpositions of the states of the sample and are best studied in the Fourier domain using Femtosecond Coherence Spectroscopy (FCS), which consists of one-dimensional amplitude and phase plots of a specified oscillation frequency as a function of the detection frequency. Prior works have shown ubiquitous amplitude nodes and π phase shifts in FCS from excited-state vibrational wavepackets in monomer samples. However, the FCS arising from vibronic-exciton states in molecular aggregates have not been studied theoretically. Here, we use a model of vibronic-exciton states in molecular dimers based on displaced harmonic oscillators to simulate FCS for dimers in two important cases. Simulations reveal distinct spectral signatures of excited-state vibronic-exciton coherences in molecular dimers that may be used to distinguish them from monomer vibrational coherences. A salient result is that, for certain relative orientations of the transition dipoles, the key resonance condition between the electronic coupling and the frequency of the vibrational mode may yield strong enhancement of the quantum-beat amplitude and, perhaps, also cause a significant decrease of the oscillation frequency to a value far lower than the vibrational frequency. Future studies using these results will lead to new insights into the excited-state coherences generated in photosynthetic pigment–protein complexes. [ABSTRACT FROM AUTHOR]

Five high entropy carbide ceramics, (Hf0.2,Nb0.2,Ta0.2,Ti0.2,Zr0.2)C, (Cr0.2,Hf0.2,Ta0.2,Ti0.2,Zr0.2)C, (Hf0.2,Mo0.2,Ta0.2,Ti0.2,Zr0.2)C, (Hf0.2,Ta0.2,Ti0.2,W0.2,Zr0.2)C, and (Hf0.2,Mo0.2,Ti0.2,W0.2,Zr0.2)C, were synthesized by carbothermal reduction of oxides and direct current sintering. The five high entropy carbide ceramics were determined to be nominally phase-pure with relative densities of more than 98.9% and mean grain sizes of less than 5 μm. Average Vickers hardness values ranged from 19.2 ± 0.4 GPa for (Hf0.2,Nb0.2,Ta0.2,Ti0.2,Zr0.2)C at a load of 2 kgf to 43.5 ± 0.4 GPa for (Hf0.2,Mo0.2,Ti0.2,W0.2,Zr0.2)C at a load of 0.05 kgf. Hardness generally increased with increasing the valence electron concentration and strain as measured by the Williamson–Hall analysis. However, neither correlation was conclusive enough to be a clear indicator of hardness. Instead, it was determined that a combination of effects that includes the valence electron concentration, lattice strain, and grain size all contribute to the hardness of high entropy carbide ceramics. [ABSTRACT FROM AUTHOR]

The vibronic structure and nuclear dynamics in the first five excited singlet electronic states of bithiophene (2T) are investigated here. Specifically, considerations are given to comprehend the first two structureless and broad electronic absorption bands and the role of nonadiabatic coupling in the excited state relaxation mechanism of 2T in the gas phase. Associated potential energy surfaces (PESs) are established by constructing a model vibronic coupling Hamiltonian using 18 vibrational degrees of freedom and extensive ab initio electronic structure calculations. The topographies of these PESs are critically examined, and multiple conical intersections are established. The nuclear dynamics calculations are performed by propagating wave packets on the coupled electronic manifold. The present theoretical results are in good agreement with the experimental observations. It is found that strong nonadiabatic coupling between the S1–S4 and S1–S5 states along totally symmetric modes is predominantly responsible for the structureless and broad first absorption band, and overlapping S2, S3, S4, and S5 states form the second absorption band. Photorelaxation from the highly excited S5 to the lowest S1 state takes place through a cascade of diabatic population transfers among the S1–S4–S5 electronic manifold within the first ∼100 fs. Totally symmetric C=C stretching, C–S stretching, C–H wagging, ring puckering, and inter-ring bending modes collectively drive such relaxation dynamics. [ABSTRACT FROM AUTHOR]

Polymer-based ternary nanocomposites with tunable optical properties are the key components for optoelectronics applications. Here, we demonstrate the linear and nonlinear optical properties of polypyrrole (PPy) and its ternary composites with different concentrations of the MoS2–ZnO core–shell (ZnO@MoS2) heterostructure. The interesting observation of multiple excitons and their transportation through the interface of PPy and ZnO@MoS2 by using photoluminescence and fluorescence lifetime spectroscopy was studied. Furthermore, the third-order nonlinear optical properties of all samples were also measured by employing the z-scan technique at an excitation wavelength of 532 nm. The reverse saturable absorption of pure PPy was switched to saturable absorption after the addition of ZnO@MoS2 at the uniform linear transmittance. These ternary composites with good nonlinear responses provide an option for the development of high-performance nonlinear optical devices and open a new path for the future development of ternary systems in the optical fields. [ABSTRACT FROM AUTHOR]

Pyrogenic silica is a form of amorphous silica with a high surface area and a heterogeneous distribution of silanol hydroxyl terminations and defects. In this work, the interesting and unusual form of the hydroxyl-stretch 2D-IR spectrum of pyrogenic silica is presented and explored in the deuterated (deuteroxyl) form. Transition dipole couplings between hydrogen-bonded and non-hydrogen-bonded silanol groups give a distinct cross-peak in the 2D-IR spectrum, displaying interstate coherence oscillations during the 2D-IR experimental waiting time. The strong asymmetry about the diagonal is proposed to be the result of both the relatively small transition dipole coupling strength and the extreme differences in the width of the hydrogen-bonded and non-hydrogen-bonded silanol bands. The resulting interference of negative and positive cross-peaks has minimal intensity in the below-diagonal ω3 < ω1 region of the spectrum. An additional strong positive cross-peak is observed at a position in the 2D-IR spectrum inconsistent with transition dipole coupling. An assignment as a fifth order effect is proposed. [ABSTRACT FROM AUTHOR]

Preaching was an important medium for disseminating images of Jews and Judaism during the Reformation, but scholars have neglected the reliance of preachers on classical histories, particularly those of Josephus, to construct these images. By examining postil sermons delivered annually on the Tenth Sunday after Trinity and printed in German-speaking lands between 1514 and 1622, this study argues that histories were central to the portrayal of Jews and Judaism by Lutheran, Catholic, and Reformed preachers. This clerical portrayal explained the Christian understanding of Jews and Judaism and sociopolitical status of early modern Jews, but in the context of the Reformation the image further served the doctrinal and moral programs of the clergy and built confessional identity. This research illustrates the importance of non-biblical sources in Reformation preaching and the application of clerical learning for cultural and historical instruction of the broader population in addition to religious teaching. [ABSTRACT FROM AUTHOR]

We examined the sweat characteristics and fluid balance of elite female field hockey players during two heat training camps. Fourteen elite female field hockey players from the Australian national squad participated in two heat training camps held ∼6 months apart, following winter- (Camp 1) and summer-based training (Camp 2). Daily waking body mass (BM) and urine specific gravity (USG) were collected, along with several markers of sweat and fluid balance across two matches per camp. There was a 19% mean reduction in estimated whole-body sweat sodium concentration from Camp 1 (45.8 ± 6.5 mmol/L) to Camp 2 (37.0 ± 5.0 mmol/L; p <.001). Waking urine specific gravity ≥ 1.020 was observed in 31% of samples, with no significant differences in mean urine specific gravity or BM between camps (p >.05), but with substantial interindividual variation. Intramatch sweat rates were high (1.2–1.8 L/hr), with greater BM losses in Camp 1 (p =.030), resulting in fewer players losing ≥2% BM in Camp 2 (0%–8%), as compared with Camp 1 (36%–43%; p =.017). Our field data suggest that elite female field hockey players experience substantial sweat losses during competition in the heat regardless of the season. In agreement with previous findings, we observed substantial interindividual variation in sweat and hydration indices, supporting the use of individualized athlete hydration strategies. [ABSTRACT FROM AUTHOR]

Electrostatic correlations between ions dissolved in water are known to impact their transport properties in numerous ways, from conductivity to ion selectivity. The effects of these correlations on the solvent itself remain, however, much less clear. In particular, the addition of salt has been consistently reported to affect the solution's viscosity, but most modeling attempts fail to reproduce experimental data even at moderate salt concentrations. Here, we use an approach based on stochastic density functional theory, which accurately captures charge fluctuations and correlations. We derive a simple analytical expression for the viscosity correction in concentrated electrolytes, by directly linking it to the liquid's structure factor. Our prediction compares quantitatively to experimental data at all temperatures and all salt concentrations up to the saturation limit. This universal link between the microscopic structure and viscosity allows us to shed light on the nanoscale dynamics of water and ions under highly concentrated and correlated conditions. [ABSTRACT FROM AUTHOR]

Epitaxial NiO and CrN thin films were deposited on a single-crystal A l 2 O 3 (1 1 ¯ 02) (r-plane sapphire) using magnetron sputtering. The two materials were intentionally deposited into two different deposition chamber designs and under different conditions (temperature, pressure, gases, and energy of sputtered particles). Despite the differences in the deposition condition and material system, both materials had the same feature with uncommon tilted epitaxial growth. Through an in-depth x-ray diffraction analysis of the NaCl (B1)-structured materials on r-plane sapphire, the full twin domain epitaxial relations were determined and can be described as (110) NaCl (B 1) ∥ (4 4 ¯ 03) A l 2 O 3 and [ 1 1 ¯ 2 ] NaCl (B 1) ∥ [ 1 ¯ 1 ¯ 20 ] A l 2 O 3 . This relationship differs from the previously observed orientation of (100) NaCl (B 1) ∥ (1 1 ¯ 02) A l 2 O 3 and [ 100 ] NaCl (B 1) ∥ [ 10 1 ¯ 0 ] A l 2 O 3 . These results are of general relevance for the growth of the extended NaCl (B1)-structured cubic material family onto a r-plane sapphire substrate where similar epitaxial growth can be expected. [ABSTRACT FROM AUTHOR]

Both shock and shockless compression experiments were performed on laser powder bed fusion (LPBF) Ti–5Al–5V–5Mo–3Cr (Ti-5553) to peak compressive stresses near 15 GPa. Experiments were performed on the as-built material, containing a purely β (body centered cubic) microstructure, and two differing heat treatments resulting in a dual phase α (hexagonal close packed) and β microstructure. The Hugoniot, Hugoniot elastic limit (HEL), and spallation strength were measured and compared to wrought Ti-6Al-4V (Ti-64). The results indicate the LPBF Ti-5553 Hugoniot response is similar between heat treatments and to Ti-64. The HEL stress observed in the LPBF Ti-5553 was considerably higher than Ti-64, with the as-built, fully β alloy exhibiting the largest values. The spallation strength of the LPBF Ti-5553 was also similar to Ti-64. Clear evidence of initial porosity serving as initiation sites for spallation damage was observed when comparing computed tomography measurements before and after loading. Post-mortem scanning electron microscopy images of the recovered spallation samples showed no evidence of retained phase changes near the spall plane. The spall plane was found to have kinks aligned with the loading direction near areas with large concentrations of twin-like, crystallographic defects in the as-built condition. For the heat-treated samples, the concentrations of twin-like, crystallographic defects were absent, and no preference for failure at the interface between the α and β phases was observed. [ABSTRACT FROM AUTHOR]