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HORTON is a free and open-source electronic-structure package written primarily in Python 3 with some underlying C++ components. While HORTON's development has been mainly directed by the research interests of its leading contributing groups, it is designed to be easily modified, extended, and used by other developers of quantum chemistry methods or post-processing techniques. Most importantly, HORTON adheres to modern principles of software development, including modularity, readability, flexibility, comprehensive documentation, automatic testing, version control, and quality-assurance protocols. This article explains how the principles and structure of HORTON have evolved since we started developing it more than a decade ago. We review the features and functionality of the latest HORTON release (version 2.3) and discuss how HORTON is evolving to support electronic structure theory research for the next decade. [ABSTRACT FROM AUTHOR]

This work outlines conditions suitable for the heteroepitaxial growth of Cr2O3(0001) films (1.5–20 nm thick) on a Ru(0001)-terminated substrate. Optimized growth is achieved by sputter deposition of Cr within a 4 mTorr Ar/O2 20% ambient at Ru temperatures ranging from 450 to 600 °C. The Cr2O3 film adopts a 30° rotated honeycomb configuration with respect to the underlying Ru(0001) substrate and exhibits a hexagonal lattice parameter consistent with that for bulk Cr2O3(0001). Heating to 700 °C within the same environment during film preparation leads to Ru oxidation. Exposure to temperatures at or above 400 °C in a vacuum, Ar, or Ar/H2 3% leads to chromia film degradation characterized by increased Ru 3d XPS intensity coupled with concomitant Cr 2p and O 1s peak attenuations when compared to data collected from unannealed films. An ill-defined but hexagonally well-ordered RuxCryOz surface structure is noted after heating the film in this manner. Heating within a wet Ar/H2 3% environment preserves the Cr2O3(0001)/Ru(0001) heterolayer structure to temperatures of at least 950 °C. Heating an Ru–Cr2O3–Ru heterostacked film to 950 °C within this environment is shown by cross-sectional scanning/transmission electron microscopy (S/TEM) to provide clear evidence of retained epitaxial bicrystalline oxide interlayer structure, interlayer immiscibility, and epitaxial registry between the top and bottom Ru layers. Subtle effects marked by O enrichment and O 1s and Cr 2p shifts to increased binding energies are noted by XPS in the near-Ru regions of Cr2O3(0001)/Ru(0001) and Ru(0001)/Cr2O3(0001)/Ru(0001) films after annealing to different temperatures in different sets of environmental conditions. [ABSTRACT FROM AUTHOR]

Hear from a public library director of a small library in Michigan. The author assumed the role as a first-time library director. This column explores the opportunities and challenges of taking on a directorship of a small public library. An emphasis on customer service and building the library into a community player is a key theme. The library's relationship to the city and other city departments is also discussed. Leading a public library through the COVID pandemic is touched on as well. This column is a glimpse into the operation of municipal government and public libraries. Smaller public libraries are special places in a community and this column helps you understand how they function. [ABSTRACT FROM AUTHOR]

A practical quantitative model is presented to account for the I–V characteristics of pin diodes based on epitaxial Ge-like materials. The model can be used to quantify how the different material properties and recombination mechanisms affect the diode performance. The importance of dislocations, non-passivated defects, and residual intrinsic layer doping in determining the qualitative shape of the I–V curves is discussed in detail. Examples are shown covering literature diodes as well as diodes fabricated with the purpose of validating the theoretical effort. [ABSTRACT FROM AUTHOR]

Noncovalent bonding between atmospheric molecules is central to the formation of aerosol particles and cloud condensation nuclei and, consequently, radiative forcing. While our understanding of O–H⋯B interactions is well developed, S–H⋯B hydrogen bonding has received far less attention. Sulfur- and nitrogen-containing molecules, particularly amines, play a significant role in atmospheric chemistry, yet S–H⋯N interactions are not well understood at a fundamental level. To help characterize these systems, H2S and methyl-, ethyl-, n-propyl-, dimethyl-, and trimethylamine (MA, EA, n-PA, DMA, and TMA) have been investigated using matrix isolation Fourier transform infrared spectroscopy and high-level theoretical methods. Experiments showed that H2S forms hydrogen bonded complexes with each of the amines, with bond strengths following the trend MA ≈ EA ≈ n-PA < TMA ≤ DMA, in line with past experimental work on H2SO4·amine complexes. However, the calculated results indicated that the trend should be MA < DMA < TMA, in line with past theoretical work on H2SO4·amine complexes. Evidence of strong Fermi resonances indicated that anharmonicity may play a critical role in the stabilization of each complex. The theoretical results were able to replicate experiment only after binding energies were recalculated to include the anharmonic effects. In the case of H2SO4·amine complexes, our results suggest that the discrepancy between theory and experiment could be reconciled, given an appropriate treatment of anharmonicity. [ABSTRACT FROM AUTHOR]

Nuclear receptors regulate transcriptional programs in response to the binding of natural and synthetic ligands. These ligands modulate the receptor by inducing dynamic changes in the ligand binding domain that shift the C-terminal helix (H12) between active and inactive conformations. Despite decades of study, many questions persist regarding the nature of the inactive state and how ligands shift receptors between different states. Here, we use molecular dynamics (MD) simulations to investigate the timescale and energetic landscape of the conformational transition between inactive and active forms of progesterone receptor (PR) bound to a partial agonist. We observe that the microsecond timescale is insufficient to observe any transitions; only at millisecond timescales achieved via accelerated MD simulations do we find the inactive PR switches to the active state. Energetic analysis reveals that both active and inactive PR states represent energy minima separated by a barrier that can be traversed. In contrast, little or no transition is observed between active and inactive states when an agonist or antagonist is bound, confirming that ligand identity plays a key role in defining the energy landscape of nuclear receptor conformations. [ABSTRACT FROM AUTHOR]

The nucleation of ice from aqueous solutions is a process essential to myriad environmental and industrial processes, but the physical factors affecting the capacity of different solutes to depress the homogeneous nucleation temperature of ice are yet poorly understood. In this work, we demonstrate that for many binary aqueous solutions of non-ionic solutes, this depression is dominated by the entropy of the liquid phase. Employing the classic Turnbull interpretation of the interfacial free energy γ ∼ T S l i q u i d − S s o l i d and estimating solution entropies with a Flory-style modification of the ideal entropy of mixing that accounts for solute size effects, we demonstrate that mixing entropy alone predicts experimental homogeneous nucleation temperatures across a wide variety of non-ionic solutions. We anticipate that this physical insight will not only enhance a fundamental understanding of homogeneous nucleation processes across fields but also open new avenues to the rational design of aqueous solutions for desired nucleation behaviors. [ABSTRACT FROM AUTHOR]

Despite perceived postracial ideologies of American sport, players, coaches, fans, and media have been complicit in reaffirming racial hierarchies through racist microaggressions and remarks. Such racist violations are commonly exposed in the current moment of widespread social media engagement and social justice activism. Subsequently, many violators issue apologies—often employing the conjunction "if"—which hinges the apology on the condition of the targeted group taking offense. We call these conditional apologies nonapology apologies and argue that they fall within a racializing apologia framework, devaluing and questioning the place of those offended in American society and sport, and reinforcing White supremacy. In this paper, we examine apology statements by sports figures and explore the implications of nonapology apologies. [ABSTRACT FROM AUTHOR]

We study heat exchange in temperature-biased metal–molecule–metal molecular junctions by employing the molecular dynamics simulator LAMMPS. Generating the nonequilibrium steady state with Langevin thermostats at the boundaries of the junction, we show that the average heat current across a gold–alkanedithiol–gold nanojunction behaves physically, with the thermal conductance value matching the literature. In contrast, the full probability distribution function for heat exchange, as generated by the simulator, violates the fundamental fluctuation symmetry for entropy production. We trace this failure back to the implementation of the thermostats and the expression used to calculate the heat exchange. To rectify this issue and produce the correct statistics, we introduce single-atom thermostats as an alternative to conventional many-atom thermostats. Once averaging heat exchange over the hot and cold thermostats, this approach successfully generates the correct probability distribution function, which we use to study the behavior of both the average heat current and its noise. We further examine the thermodynamic uncertainty relation in the molecular junction and show that it holds, albeit demonstrating nontrivial trends. Our study points to the need to carefully implement nonequilibrium molecular dynamics solvers in atomistic simulation software tools for future investigations of noise phenomena in thermal transport. [ABSTRACT FROM AUTHOR]

Traditionally, physical models of associative memory assume conditions of equilibrium. Here, we consider a prototypical oscillator model of associative memory and study how active noise sources that drive the system out of equilibrium, as well as nonlinearities in the interactions between the oscillators, affect the associative memory properties of the system. Our simulations show that pattern retrieval under active noise is more robust to the number of learned patterns and noise intensity than under passive noise. To understand this phenomenon, we analytically derive an effective energy correction due to the temporal correlations of active noise in the limit of short correlation decay time. We find that active noise deepens the energy wells corresponding to the patterns by strengthening the oscillator couplings, where the more nonlinear interactions are preferentially enhanced. Using replica theory, we demonstrate qualitative agreement between this effective picture and the retrieval simulations. Our work suggests that the nonlinearity in the oscillator couplings can improve memory under nonequilibrium conditions. [ABSTRACT FROM AUTHOR]

Much has been written about the demographic make-up of librarianship, which remains overwhelmingly white and female, but little has been discussed about the socioeconomic background of folks entering the field. In this column, I explore some of the ways that coming from a financially disadvantaged background can impact both entering the profession and the experience of working within it. A mix of practical and aspirational action items are provided. [ABSTRACT FROM AUTHOR]

Transferrin, a central player in iron transport, has been recognized not only for its role in binding iron but also for its interaction with other metals, including titanium. This study employs solid-state nanopores to investigate the binding of titanium ions [Ti(IV)] to transferrin in a single-molecule and label-free manner. We demonstrate the novel application of solid-state nanopores for single-molecule discrimination between apo-transferrin (metal-free) and Ti(IV)-transferrin. Despite their similar sizes, Ti(IV)-transferrin exhibits a reduced current drop, attributed to differences in translocation times and filter characteristics. Single-molecule analysis reveals Ti(IV)-transferrin's enhanced stability and faster translocations due to its distinct conformational flexibility compared to apo-transferrin. Furthermore, our study showcases solid-state nanopores as real-time monitors of biochemical reactions, tracking the gradual conversion of apo-transferrin to Ti(IV)-transferrin upon the addition of titanium citrate. This work offers insights into Ti(IV) binding to transferrin, promising applications for single-molecule analysis and expanding our comprehension of metal–protein interactions at the molecular level. [ABSTRACT FROM AUTHOR]

In 2021, New York City passed some of the most progressive nuclear disarmament legislation of any major city in the United States, supported by local activists from the New York Campaign to Abolish Nuclear Weapons (NYCAN). In this essay, two of the people behind this effort share some details of their success with local government as an example of what others can do to bring nuclear abolitionist activism home. They also give a sense of New York's long history as a nuclear city—and as a locus of action for disarmament. [ABSTRACT FROM AUTHOR]

Coupled trajectory mixed quantum–classical (CTMQC) dynamics is a rigorous approach to trajectory-based non-adiabatic dynamics, which has recently seen an improvement to energy conservation via the introduction of the CTMQC-E algorithm. Despite this, the method's two key quantities distinguishing it from Ehrenfest dynamics, the modified Born–Oppenheimer momentum and the quantum momentum, require regularization procedures in certain circumstances. Such procedures in the latter can cause instabilities, leading to undesirable effects, such as energy drift and spurious population transfer, which is expected to become increasingly prevalent when the system gets larger as such events would happen more frequently. We propose a further modification to CTMQC-E, which includes a redefinition of the quantum momentum, CTMQC-EDI (double intercept), such that it has no formal divergences. We then show for Tully models I–III and the double arch model that the algorithm has greatly improved total energy conservation and negligible spurious population transfer at all times, in particular in regions of strong non-adiabatic coupling. CTMQC-EDI, therefore, shows promise as a numerically robust non-adiabatic dynamics technique that accounts for decoherence from first principles and that is scalable to large molecular systems and materials. [ABSTRACT FROM AUTHOR]

In this paper, polarization-stable and spectrally single-mode operation of oxide-confined multi-junction vertical-cavity surface-emitting lasers (VCSELs) are achieved by using a non-circular integrated anti-phase transverse mode filter. A record-high single-mode output power is obtained by radially reducing effective mirror reflectivity at the surface areas where the higher order modes are expected to lase, leading to an increase in the threshold gain for these transverse modes, all the while minimal losses are introduced to the fundamental mode. The polarization control of such devices is achieved by using a non-circular mode filter in order to perturb the cylindrical symmetry of the cavity. An elliptically etched surface relief is shown to be effective in realizing a single-mode single-polarization device over a wide range of operating bias currents and temperatures. The continuous-wave light–current–voltage characteristics of 8-junction 940 nm VCSELs show single-mode output power >13 mW at room temperature, spectrally measured with a side-mode suppression ratio of >30 dB. This single-mode performance can be achieved depending on the ratio between the relief opening and the oxide aperture size. Additionally, the single-polarization behavior of such devices (with an extinction ratio of >15 dB) is shown to be dependent on the orientation of the elliptical mode filter, where the light is mainly polarized along the minor axis of the elliptical feature. Overall, combined with a multi-junction active region, the elliptical model filter is able to achieve highly efficient single-mode linearly polarized VCSELs. [ABSTRACT FROM AUTHOR]

The article discusses American Civil War iconoclasm and the destruction of Confederate Army-related images and visual objects. Topics explored include the way Union soldiers destroyed portraits and paintings they encountered in Southern households during the war, the motivations behind iconoclasm for Northern soldiers and enslaved people, and the connection between Southern image consumption and Civil War image destruction.

In 2020, Libraries and Cultural Resources (LCR) at the University of Calgary used Qualtrics XM to design and pilot a point-of-use survey to collect user feedback on the usability of our implementation of Primo, Ex Libris's web-scale discovery service. Over a two-week period, users were presented with the pop-up survey while searching and asked to provide feedback. This article summarizes how we designed and implemented this point-of-use survey and the lessons learned from this project. [ABSTRACT FROM AUTHOR]

Antineutrino detection systems have been envisioned as an important aspect of safeguarding the next generation of nuclear reactors, especially considering designs utilizing exotic fuel cycles. Deployment of antineutrino detection systems for safeguarding applications is hindered by the uncertainties associated with the calculations required for antineutrino spectra measurements and predictions. The focus of this work is to assess the impact of system components on antineutrino spectra normalization uncertainties and their significance in reactor power monitoring sensitivity. The dominant limitation in antineutrino detection calculations is typically the uncertainty associated with a cosmogenic background. This limitation becomes more pronounced when signals are weak, although the issue is mitigated in larger reactors due to their stronger source strength. Additionally, antineutrino emission uncertainties vary with the isotopic composition of the reactor fuel. Unconventional fuel cycles, featuring less common fissioning isotopes, such as Pu-240, introduce larger antineutrino yield uncertainties. The findings from this study suggest that future research on safeguard-targeted antineutrino detection should prioritize background mitigation, particularly when background simulation is necessary. Advanced nuclear reactor designs have a major influence on background understanding and successful system implementation. [ABSTRACT FROM AUTHOR]

When an impurity with a light mass is inserted into a crystal, it can undergo a high-frequency oscillation referred to as a local vibrational mode (LVM). A Fermi resonance may occur between the LVM and lower-frequency modes of the defect. The LVM may also interact with phonons or the electromagnetic field. Understanding these interactions can help model and control diffusion, defect reactions, and thermal conductivity. LVMs have been probed in semiconductors using pressure and alloying as experimental parameters, resulting in anticrossing between localized and extended vibrational modes. These types of vibrational interactions could play an important role in the stability and thermal properties of organic–inorganic hybrid semiconductors. The coupling between an LVM and electromagnetic wave yields an "LVM polariton," an excitation that has significant vibrational and electric-field amplitudes. [ABSTRACT FROM AUTHOR]

A real-space method using generating integers is used to determine possible commensurate lattice Moiré patterns for a bilayer of two equal hexagonal lattices, which can in principle be extended to lattice mismatched bilayers. These Moiré patterns can be classified by a pair of relatively prime integers (n , m) , wherein a rotation θ (n , m) of the top hexagonal lattice maps its lattice vector (n , m) to (m , n) of the bottom lattice. Within this formulation, the area of the commensurate supercell is proportional to (n 2 + m 2 + n m) and the number of coincident lattice sites per supercell is given by (n − m) 2. Taking bilayer boron nitride (BN) as an example, we present how to systematically generate Moiré patterns and explore the differences in local chemistry in the interstitial region by impurity intercalation. Systematic calculations of the properties of intercalated 3d transition metals were performed in an h-BN (4 , 3) bilayer, corresponding to a rotation of 9.43 degrees. These calculations reveal that local symmetry in the intercalated region significantly affect the energetics and magnetization of the intercalated species. These results highlight that Moiré pattern physics is not limited to optoelectronic/electronic phenomena, such as interfacial exciton formation or magic angle superconductivity, but it also produces chemical and magnetic atomic site selectivity, which may play important roles in adsorption, catalysis, or quantum information. [ABSTRACT FROM AUTHOR]

Transition-metal and rare-earth borides are of considerable interest due to their electronic, mechanical, and magnetic properties as well as their structural stability under extreme conditions. Here, we report on a series of high-pressure Raman and x-ray diffraction experiments on the cubic rare-earth hexaboride EuB6 to an ultrahigh pressure of 187 GPa in a diamond anvil cell. In EuB6, divalent europium ions occupy the corners of the cubic structure, which encloses a rigid boron-bonded cage. So far, no structural phase transitions have been reported, while the nanoindentation studies indicate amorphization in nanoscale shear bands during plastic deformation. Our x-ray diffraction studies have revealed that the ambient cubic phase of EuB6 shows broadening and splitting of diffraction peaks starting at 72 GPa and the broadening continuing to 187 GPa. The high-pressure phase is recovered on decompression, and the Raman spectroscopy of the recovered sample from 187 GPa shows a downward frequency shift and broadening of T2g, Eg, and A1g modes of boron octahedron. The density functional theory simulations of EuB6 at 100 GPa have identified five possible lowest energy crystal structures. The experimental x-ray diffraction data at high pressures is compared with the theoretical predictions and the role of structural distortions induced by shear stresses is also discussed. [ABSTRACT FROM AUTHOR]

Objective: This in‐vitro study assessed the influence of two intraoral scanning (IOS) protocols on the accuracy (trueness and precision) of digital scans performed in edentulous arches. Methods: Twenty‐two abutment‐level master casts of edentulous arches with at least four implants were scanned repeatedly five times, each with two different scanning protocols. Protocol A (IOS‐A) consisted of scanning the edentulous arch before inserting the implant scan bodies, followed by their insertion and its subsequent digital acquisition. Protocol B (IOS‐B) consisted of scanning the edentulous arch with the scan bodies inserted from the outset. A reference scan from each edentulous cast was obtained using a laboratory scanner. Trueness and precision were calculated using the spatial fit analysis, cross‐arch distance, and virtual Sheffield test. Statistical analysis was performed using generalized estimating equations (GEEs). Statistical significance was set at α =.05. Results: In the spatial fit test, the precision of average 3D distances was 45 μm (±23 μm) with protocol IOS‐A and 25 μm (±10 μm) for IOS‐B (p <.001), and the trueness of average 3D distances was 44 μm (±24 μm) with protocol IOS‐A and 24 μm (±7 μm) for IOS‐B (p <.001). Cross‐arch distance precision was 59 μm (±53 μm) for IOS‐A and 41 μm (±43 μm) for IOS‐B (p =.0035), and trueness was 64 μm (±47 μm) for IOS‐A and 50 μm (±40 μm) for IOS‐B (p =.0021). Virtual Sheffield precision was 286 μm (±198 μm) for IOS‐A and 146 μm (±92 μm) for IOS‐B (p <.001), and trueness was 228 μm (±171 μm) for IOS‐A and 139 μm (±92 μm) for IOS‐B (p <.001). Conclusions: The IOS‐B protocol demonstrated significantly superior accuracy. Placement of scan bodies before scanning the edentulous arch is recommended to improve the accuracy of complete‐arch intraoral scanning. [ABSTRACT FROM AUTHOR]

Impaired social cognition is a core deficit in frontotemporal dementia (FTD). It is most commonly associated with the behavioural-variant of FTD, with atrophy of the orbitofrontal and ventromedial prefrontal cortex. Social cognitive changes are also common in semantic dementia, with atrophy centred on the anterior temporal lobes. The impairment of social behaviour in FTD has typically been attributed to damage to the orbitofrontal cortex and/or temporal poles and/or the uncinate fasciculus that connects them. However, the relative contributions of each region are unresolved. In this review, we present a unified neurocognitive model of controlled social behaviour that not only explains the observed impairment of social behaviours in FTD, but also assimilates both consistent and potentially contradictory findings from other patient groups, comparative neurology and normative cognitive neuroscience. We propose that impaired social behaviour results from damage to two cognitively- and anatomically-distinct components. The first component is social-semantic knowledge, a part of the general semantic-conceptual system supported by the anterior temporal lobes bilaterally. The second component is social control, supported by the orbitofrontal cortex, medial frontal cortex and ventrolateral frontal cortex, which interacts with social-semantic knowledge to guide and shape social behaviour. [ABSTRACT FROM AUTHOR]

Carbon dioxide (CO2) is gaining interest as a tool to combat aquatic invasive species, including zebra mussels (Dreissena polymorpha). However, the effects of water chemistry on CO2 efficacy are not well described. We conducted five trials in which we exposed adult zebra mussels to a range of CO2 in water with adjusted total hardness and specific conductance. We compared dose–responses and found differences in lethal concentration to 50% of organisms (LC50) estimates ranging from 108.3 to 179.3 mg/L CO2 and lethal concentration to 90% of organisms (LC90) estimates ranging from 163.7 to 216.6 mg/L CO2. We modeled LC50 and LC90 estimates with measured water chemistry variables from the trials. We found sodium (Na+) concentration to have the strongest correlation to changes in the LC50 and specific conductance to have the strongest correlation to changes in the LC90. Our results identify water chemistry as an important factor in considering efficacious CO2 concentrations for zebra mussel control. Additional research into the physiological responses of zebra mussels exposed to CO2 may be warranted to further explain mode of action and reported selectivity. Further study could likely develop a robust and relevant model to refine CO2 applications for a wider range of water chemistries. Environ Toxicol Chem 2024;43:1312–1319. Published 2024. This article is a U.S. Government work and is in the public domain in the USA. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC. [ABSTRACT FROM AUTHOR]

Since its inception in the 1980s, advancements in PCR technology using improved thermal cyclers, engineered DNA polymerases and commercial master mixes, have led to increased PCR productivity. Despite these advancements, PCR cycling protocols have largely remained unchanged over the same period. This study aimed to systemically evaluate the effect of reduced PCR cycling parameters on amplicon production. The 1466bp fragment from the 16S rRNA gene present in low-, medium- and high-CG bacteria was amplified using three commercially available PCR master mixes. The shortest cycling parameters required to successfully amplify the 16S fragment from all bacteria and master mixes comprised 30-cycles of 5 s denaturation, 25 s annealing, and 25 s extension. While all produced an amplicon with sufficient yield to enable downstream sequence analysis, the PCRBIO Ultra Mix in conjunction with the shortened parameters was found to achieve the highest amplicon yield across low-, medium- and high CG bacteria. Comparing the run times to that of a typical 16S PCR protocol, the shortened cycling parameters reduced the program duration by 46 % and consumed 50 % less electricity, translating into increased productivity and helping to improve laboratory environmental sustainability. • Quicker and more environmentally sustainable PCR. • The 16S PCR program duration reduced by 46 % compared to typically published protocols. • The 16S PCR program consumes 50 % less electricity. • Amplicon produced from low-, mid-, and high-GC bacterial templates. [ABSTRACT FROM AUTHOR]

We describe a study of the influence of cryptand denticity on the structural, electronic, and electrochemical properties of UIII-containing cryptates. Two cryptands (2.2.2 and 2.2.1) are reported. The cryptand with the smaller denticity leads to negative electrochemical potentials and shorter bond lengths that are consistent with a better fit for UIII than the larger cryptand. These studies provide insight into the rational design of cryptand-based ligands for trivalent uranium. [ABSTRACT FROM AUTHOR]

Background Control of schistosomiasis (SCH) relies on the regular distribution of preventive chemotherapy (PC) over many years. For the sake of sustainable SCH control, a decision must be made at some stage to scale down or stop PC. These "stopping decisions" are based on population surveys that assess whether infection levels are sufficiently low. However, the limited sensitivity of the currently used diagnostic (Kato-Katz [KK]) to detect low-intensity infections is a concern. Therefore, the use of new, more sensitive, molecular diagnostics has been proposed. Methods Through statistical analysis of Schistosoma mansoni egg counts collected from Burundi and a simulation study using an established transmission model for schistosomiasis, we investigated the extent to which more sensitive diagnostics can improve decision making regarding stopping or continuing PC for the control of S. mansoni. Results We found that KK-based strategies perform reasonably well for determining when to stop PC at a local scale. Use of more sensitive diagnostics leads to a marginally improved health impact (person-years lived with heavy infection) and comes at a cost of continuing PC for longer (up to around 3 years), unless the decision threshold for stopping PC is adapted upward. However, if this threshold is set too high, PC may be stopped prematurely, resulting in a rebound of infection levels and disease burden (+45% person-years of heavy infection). Conclusions We conclude that the potential value of more sensitive diagnostics lies more in the reduction of survey-related costs than in the direct health impact of improved parasite control. [ABSTRACT FROM AUTHOR]

We introduce three architecture modifications to enhance the performance of the end-to-end (E2E) variational network (VarNet) for undersampled MRI reconstructions. We first implemented the Feature VarNet, which propagates information throughout the cascades of the network in an N-channel feature-space instead of a 2-channel feature-space. Then, we add an attention layer that utilizes the spatial locations of Cartesian undersampling artifacts to further improve performance. Lastly, we combined the Feature and E2E VarNets into the Feature-Image (FI) VarNet, to facilitate cross-domain learning and boost accuracy. Reconstructions were evaluated on the fastMRI dataset using standard metrics and clinical scoring by three neuroradiologists. Feature and FI VarNets outperformed the E2E VarNet for 4 × , 5 × and 8 × Cartesian undersampling in all studied metrics. FI VarNet secured second place in the public fastMRI leaderboard for 4 × Cartesian undersampling, outperforming all open-source models in the leaderboard. Radiologists rated FI VarNet brain reconstructions with higher quality and sharpness than the E2E VarNet reconstructions. FI VarNet excelled in preserving anatomical details, including blood vessels, whereas E2E VarNet discarded or blurred them in some cases. The proposed FI VarNet enhances the reconstruction quality of undersampled MRI and could enable clinically acceptable reconstructions at higher acceleration factors than currently possible. [ABSTRACT FROM AUTHOR]

AbstractThis study is aimed at the synthesis of nanoparticles (NPs) and nanocomposite (NC) using maize leave as precursor. Silver NPs (AgNPs) and AgNCs were synthesized from silver nitrate and maize leave extract using green approach. The maize leave NPs (AgNPs) and the maize leave NCs (AgNCs) were characterized using Fourier Transform infrared (FTIR), scanning electron microscopy (SEM), energy dispersion x-ray (EDX), Brunauer–Emmett–Teller (BET) surface area measurement, and dynamic light scattering (DLS) particle size analysis. The phytochemical analysis revealed the presence of tannin, oxalate, and flavonoids in appreciable quantity, which have proven to be a powerful reducing agent that facilitates the reduction of silver ions for the synthesis of silver NPs and silver nano composites. FTIR revealed that all the peaks identified in AgNPs and AgNCs belong to the characteristic bands of reducing compounds such as flavonoid compounds. The SEM-EDX results showed that the peaks observed from 2.9 to 3.1 Kev in the spectra indicate the presence of elemental silver as it is reduced from Ag+ to Ag. DLS analysis results showed that the average size and polydispersity index (PdI) of the synthesized AgNPs and AgNCs were 42.30 and 68.29 nm, 0.691 and 0.270, respectively. The single point BET surface area (m2/g) obtained for AgNPs and AgNCs were 223.3 and 209.5, respectively. The results showed maize leave as a potential precursor for the preparation of NPs and NCs. [ABSTRACT FROM AUTHOR]

Summary Background Methods Results Conclusions There are concerns that airway management in patients with suspected or confirmed cervical spine injury may exacerbate an existing neurological deficit, cause a new spinal cord injury or be hazardous due to precautions to avoid neurological injury. However, there are no evidence‐based guidelines for practicing clinicians to support safe and effective airway management in this setting.An expert multidisciplinary, multi‐society working party conducted a systematic review of contemporary literature (January 2012–June 2022), followed by a three‐round Delphi process to produce guidelines to improve airway management for patients with suspected or confirmed cervical spine injury.We included 67 articles in the systematic review, and successfully agreed 23 recommendations. Evidence supporting recommendations was generally modest, and only one moderate and two strong recommendations were made. Overall, recommendations highlight key principles and techniques for pre‐oxygenation and facemask ventilation; supraglottic airway device use; tracheal intubation; adjuncts during tracheal intubation; cricoid force and external laryngeal manipulation; emergency front‐of‐neck airway access; awake tracheal intubation; and cervical spine immobilisation. We also signpost to recommendations on pre‐hospital care, military settings and principles in human factors.It is hoped that the pragmatic approach to airway management made within these guidelines will improve the safety and efficacy of airway management in adult patients with suspected or confirmed cervical spine injury. [ABSTRACT FROM AUTHOR]

A fundamental goal in evolutionary biology and population genetics is to understand how selection shapes the fate of new mutations. Here, we test the null hypothesis that insertion–deletion (indel) events in protein-coding regions occur randomly with respect to secondary structures. We identified indels across 11,444 sequence alignments in mouse, rat, human, chimp, and dog genomes and then quantified their overlap with four different types of secondary structure—alpha helices, beta strands, protein bends, and protein turns—predicted by deep-learning methods of AlphaFold2. Indels overlapped secondary structures 54% as much as expected and were especially underrepresented over beta strands, which tend to form internal, stable regions of proteins. In contrast, indels were enriched by 155% over regions without any predicted secondary structures. These skews were stronger in the rodent lineages compared to the primate lineages, consistent with population genetic theory predicting that natural selection will be more efficient in species with larger effective population sizes. Nonsynonymous substitutions were also less common in regions of protein secondary structure, although not as strongly reduced as in indels. In a complementary analysis of thousands of human genomes, we showed that indels overlapping secondary structure segregated at significantly lower frequency than indels outside of secondary structure. Taken together, our study shows that indels are selected against if they overlap secondary structure, presumably because they disrupt the tertiary structure and function of a protein. [ABSTRACT FROM AUTHOR]

Background: Novel influenza viruses pose a potential pandemic risk, and rapid detection of infections in humans is critical to characterizing the virus and facilitating the implementation of public health response measures. Methods: We use a probabilistic framework to estimate the likelihood that novel influenza virus cases would be detected through testing in different community and healthcare settings (urgent care, emergency department, hospital, and intensive care unit [ICU]) while at low frequencies in the United States. Parameters were informed by data on seasonal influenza virus activity and existing testing practices. Results: In a baseline scenario reflecting the presence of 100 novel virus infections with similar severity to seasonal influenza viruses, the median probability of detecting at least one infection per month was highest in urgent care settings (72%) and when community testing was conducted at random among the general population (77%). However, urgent care testing was over 15 times more efficient (estimated as the number of cases detected per 100,000 tests) due to the larger number of tests required for community testing. In scenarios that assumed increased clinical severity of novel virus infection, median detection probabilities increased across all healthcare settings, particularly in hospitals and ICUs (up to 100%) where testing also became more efficient. Conclusions: Our results suggest that novel influenza virus circulation is likely to be detected through existing healthcare surveillance, with the most efficient testing setting impacted by the disease severity profile. These analyses can help inform future testing strategies to maximize the likelihood of novel influenza detection. [ABSTRACT FROM AUTHOR]

Atmospheric aerosols represent an important component of the Earth's climate system because they can contribute both positive and negative forcing to the energy budget. We are developing the Aerosol Radiometer for Global Observations of the Stratosphere (ARGOS) instrument to provide improved measurements of stratospheric aerosols in a compact package. ARGOS makes limb scattering measurements from space in eight directions simultaneously, using two near-IR wavelengths for each viewing direction. The combination of forward and backward scattering views along the orbit track gives additional information to constrain the aerosol phase function and size distribution. Cross-track views provide expanded spatial coverage. ARGOS will have a demonstration flight through a hosted payload provider in the fall of 2024. The instrument has completed pre-launch environmental testing and radiometric characterization tests. The hosted payload approach offers advantages in size, weight, and power margins for instrument design compared to other approaches, with significant benefits in terms of reducing infrastructure requirements for the instrument team. [ABSTRACT FROM AUTHOR]

OBJECTIVES: Four-factor prothrombin complex concentrate (4-PCC) is recommended for rapid reversal of vitamin K antagonists (VKAs) such as warfarin, yet optimal dosing remains uncertain. DATA SOURCES: A systematic review was conducted of PubMed, Embase, and Ovid MEDLINE (Wolters Kluwer) databases from January 2000 to August 2023 for clinical studies comparing fixed- vs. variable-dose 4-PCC for emergent VKA reversal with at least one reported clinical outcome. STUDY SELECTION: Abstracts and full texts were assessed independently and in duplicate by two reviewers. DATA EXTRACTION: Data were extracted independently and in duplicate by two reviewers using predefined extraction forms. DATA SYNTHESIS: The analysis comprised three randomized trials and 16 cohort studies comprising a total of 323 participants in randomized trials (161 in fixed dosage and 162 in variable dosage) and 1912 patients in cohort studies (858 in fixed-dose and 1054 in variable dose). Extracranial bleeding was the predominant indication, while intracranial hemorrhage varied. Overall, a fixed-dose regimen may be associated with a lower dose of 4-PCC and results in a reduction in 4-PCC administration time compared with a variable-dose regimen. A fixed-dose regimen also likely results in increased clinical hemostasis. While there is no clear difference between the two regimens in terms of achieving a goal international normalized ratio (INR) less than 2, a fixed-dose regimen is less likely to achieve a goal INR less than 1.5. High certainty evidence indicates that the fixed-dose regimen reduces both mortality and the occurrence of thromboembolic events. Additional subgroup analyses provides exploratory data to guide future studies. CONCLUSIONS: A fixed-dose regimen for 4-PCC administration provides benefits over a variable-dose regimen in terms of dose reduction, faster administration time, improved clinical hemostasis, and reduced mortality and thromboembolic events. Further studies are warranted to better refine the optimal fixed-dose regimen. [ABSTRACT FROM AUTHOR]

Steel moment frames develop large drift capacity and dissipate seismic energy through inelastic deformation in the plastic hinge region near the beam-to-column connection. To discourage fracture in this region, known as the protected zone, attachments are limited to arc spot welds and power-actuated fasteners for decking attachment. Other attachments or defects like shear studs, bolts, holes, gouges, and notches must be removed and repaired by grinding or by a combination of grinding and welding. These requirements are given in the AWS D1.8/D1.8M seismic welding code, but there have been no full-scale connection tests with these repairs in the plastic hinge region. For that reason, this research evaluated the performance of moment connections with repairs by testing six full-scale reduced beam section moment connections with W24×62 and W36×150 beams. The following defects and repairs were included in the beam protected zone: 3.17-mm (1/8-in.)-deep notches repaired by grinding, 6.35-mm (1/4-in.)-deep notches repaired by welding, and sharp 6.35-mm and 9.53-mm (1/4-in. and 3/8-in.) semicircular notches. The specimens were tested in an exterior column configuration and subjected to the cyclic special moment frame qualification displacement protocol given in ANSI/AISC 341. All four specimens with repairs maintained substantial flexural strength through cycles of 5% story drift ratio and satisfied special moment frame qualification criteria. It is concluded that the AWS D1.8/D1.8M repairs resulted in sufficient ductility for use in special moment frames within the range of parameters tested. The two specimens with unrepaired sharp notches experienced fractures propagating from the notches, causing substantial loss of flexural strength during cycles of 3% or 4% story drift ratio. [ABSTRACT FROM AUTHOR]

This article presents a critical examination of Igor Soikhedbrod's Revisiting Marx's Critique of Liberalism: Rethinking Justice, Legality, and Rights. We argue that the book presents an important criticism of antinomian forms of critical theory, which underplay the extent to which Marx engaged in an imminent critique of liberal societies, including the rule of law, and upheld that progressive advances enshrined in this rule should be carried over or sublated in a communist dispensation. [ABSTRACT FROM AUTHOR]

Tier II bag limit regulations were developed to lessen constraints to participation by new duck hunters. By opting for the three-duck bag limit, hunters would not be subject to the species and sex-specific regulations of the six-duck limit. We surveyed hunters in Nebraska and South Dakota to gain an understanding about how Tier II regulations would be received by the current waterfowl-hunting population. We found that less experienced hunters stated they had greater difficulty identifying ducks and were more likely to use Tier II than experienced hunters. A significant proportion of new waterfowl hunters may make use of Tier II, and these regulations may relieve hunting constraints in a meaningful way. Wildlife agencies may want to consider how hunters transition between bag-limit regulations from year-to-year and consider means to integrate Tier II into hunter R3 efforts. [ABSTRACT FROM AUTHOR]

Postnatal lung development results in an increasingly functional organ prepared for gas exchange and pathogenic challenges. It is achieved through cellular differentiation and migration. Changes in the tissue architecture during this development process are well-documented and increasing cellular diversity associated with it are reported in recent years. Despite recent progress, transcriptomic and molecular pathways associated with human postnatal lung development are yet to be fully understood. In this study, we investigated gene expression patterns associated with healthy pediatric lung development in four major enriched cell populations (epithelial, endothelial, and nonendothelial mesenchymal cells, along with lung leukocytes) from 1-day-old to 8-yr-old organ donors with no known lung disease. For analysis, we considered the donors in four age groups [less than 30 days old neonates, 30 days to < 1 yr old infants, toddlers (1 to < 2 yr), and children 2 yr and older] and assessed differentially expressed genes (DEG). We found increasing age-associated transcriptional changes in all four major cell types in pediatric lung. Transition from neonate to infant stage showed highest number of DEG compared with the number of DEG found during infant to toddler- or toddler to older children-transitions. Profiles of differential gene expression and further pathway enrichment analyses indicate functional epithelial cell maturation and increased capability of antigen presentation and chemokine-mediated communication. Our study provides a comprehensive reference of gene expression patterns during healthy pediatric lung development that will be useful in identifying and understanding aberrant gene expression patterns associated with early life respiratory diseases. NEW & NOTEWORTHY: This study presents postnatal transcriptomic changes in major cell populations in human lung, namely endothelial, epithelial, mesenchymal cells, and leukocytes. Although human postnatal lung development continues through early adulthood, our results demonstrate that greatest transcriptional changes occur in first few months of life during neonate to infant transition. These early transcriptional changes in lung parenchyma are particularly notable for functional maturation and activation of alveolar type II cell genes. [ABSTRACT FROM AUTHOR]

Progressive carcinogenesis of a gastric polyp with transformation to gastric adenocarcinoma and subsequent development of leptomeningeal carcinomatosis is described in an adult male Scottish terrier. Presenting clinical signs consisted of vomiting with intermittent hematemesis. Surgical biopsies over the course of 14 months documented the progression from gastric polyp to minimally invasive gastric carcinoma to invasive gastric adenocarcinoma, a pathogenesis not previously documented in veterinary oncology. The patient ultimately developed neurologic pathology and was euthanized, and necropsy evaluation identified widespread carcinomatosis with accompanying leptomeningeal metastasis. As in humans, gastric polyps in dogs rarely have malignant potential. [ABSTRACT FROM AUTHOR]

This study investigates the chloride transport and resulting corrosion-induced damage to reinforced recycled aggregate concrete (RAC) using finite-element simulations. A two-dimensional five-phase mesoscale-level time-dependent analysis was performed and chloride ingress, corrosion behavior, and corrosion product expansion induced RAC cracking were simulated. Material properties of aggregates, adhered mortar (AM) to the aggregates, old interfacial transition zone (ITZ), new ITZ, and the cement matrix were modeled. A series of RAC specimens with varying levels of AM contents were studied. The results indicated that chlorides moved faster in RAC specimens with more AM. Consequently, corrosion initiated quicker and more corrosion products were generated during the corrosion propagation process. The corrosion products' expansion caused cracking that was more severe in RAC specimens, and increased with increasing levels of AM. In addition to the impact of AM content, aggregate shape and orientation effects on corrosion-induced cracking were explored through the meso-level modeling approach. A parametric study on the chloride diffusion coefficients of AM was also conducted. The results show that the impact of chloride transport properties of AM was insignificant when the AM level was low. This study provides important insights into the mechanisms of service life deterioration in reinforced RAC structures. [ABSTRACT FROM AUTHOR]

Purpose: We aim to assess the impact of the exposure to deep versus light sedation by a critical care transport agency during prehospital and interhospital transport on hospital sedation levels, medication exposure, and outcomes of mechanically ventilated patients. Materials and Methods: Retrospective cohort review of mechanically ventilated adult critical care transport patients from January 1, 2019, to March 11, 2020, who arrived at an academic medical center. The primary outcome was the correlation of deep sedation during transport with deep sedation within the first 48 h of hospitalization (defined as Richmond Agitation Sedation Scale [RASS] −3 to −5). The secondary outcomes were duration of mechanical ventilation, hospital length of stay, intensive care unit (ICU) length of stay, inpatient mortality, delirium within 48 h, and coma within 48 h. Results: One hundred and ninety-eight patients were included, of whom 183 (92.4%) were deeply sedated during transport which persisted through the first 48 h of hospital care. Deep sedation during transport was not correlated with deep sedation in the hospital within the first 48 h (OR 2.41; 95% CI, 0.48-12.02). There was no correlation with hospital length of stay, ICU length of stay, duration of mechanical ventilation, or hospital mortality. Deep sedation during transport was not correlated with delirium or coma within the first 48 h of hospitalization. There was a negligible correlation between final transport RASS and initial hospital RASS which did not differ based on the lapsed time from handoff (<1 h corr. coeff. 0.23; ≥1 h corr. coeff. 0.25). Conclusions: Deep sedation was observed during critical care transport in this cohort and was not correlated with deep sedation during the first 48 h of hospitalization. The transition of care between the transport team and the hospital team may be an opportunity to disrupt therapeutic momentum and re-evaluate sedation decisions. [ABSTRACT FROM AUTHOR]

Magnesium batteries attract interest as alternative energy‐storage devices because of elemental abundance and potential for high energy density. Development is limited by the absence of suitable cathodes, associated with poor diffusion kinetics resulting from strong interactions between Mg2+ and the host structure. V2PS10 is reported as a positive electrode material for rechargeable magnesium batteries. Cyclable capacity of 100 mAh g−1 is achieved with fast Mg2+ diffusion of 7.2× ${\times }$ 10−11–4× ${\times }$ 10−14 cm2 s−1. The fast insertion mechanism results from combined cationic redox on the V site and anionic redox on the (S2)2− site; enabled by reversible cleavage of S−S bonds, identified by X‐ray photoelectron and X‐ray absorption spectroscopy. Detailed structural characterisation with maximum entropy method analysis, supported by density functional theory and projected density of states analysis, reveals that the sulphur species involved in anion redox are not connected to the transition metal centres, spatially separating the two redox processes. This facilitates fast and reversible Mg insertion in which the nature of the redox process depends on the cation insertion site, creating a synergy between the occupancy of specific Mg sites and the location of the electrons transferred. [ABSTRACT FROM AUTHOR]

Magnesium batteries attract interest as alternative energy‐storage devices because of elemental abundance and potential for high energy density. Development is limited by the absence of suitable cathodes, associated with poor diffusion kinetics resulting from strong interactions between Mg2+ and the host structure. V2PS10 is reported as a positive electrode material for rechargeable magnesium batteries. Cyclable capacity of 100 mAh g−1 is achieved with fast Mg2+ diffusion of 7.2× ${\times }$ 10−11–4× ${\times }$ 10−14 cm2 s−1. The fast insertion mechanism results from combined cationic redox on the V site and anionic redox on the (S2)2− site; enabled by reversible cleavage of S−S bonds, identified by X‐ray photoelectron and X‐ray absorption spectroscopy. Detailed structural characterisation with maximum entropy method analysis, supported by density functional theory and projected density of states analysis, reveals that the sulphur species involved in anion redox are not connected to the transition metal centres, spatially separating the two redox processes. This facilitates fast and reversible Mg insertion in which the nature of the redox process depends on the cation insertion site, creating a synergy between the occupancy of specific Mg sites and the location of the electrons transferred. [ABSTRACT FROM AUTHOR]

Monkeypox virus (MPXV) is a reemerging virus of global concern. An outbreak of clade I MPXV affected 20 captive chimpanzees in Cameroon in 2016. We describe the epidemiology, virology, phylogenetics, and clinical progression of this outbreak. Clinical signs included exanthema, facial swelling, perilaryngeal swelling, and eschar. Mpox can be lethal in captive chimpanzees, with death likely resulting from respiratory complications. We advise avoiding anesthesia in animals with respiratory signs to reduce the likelihood of death. This outbreak presented a risk to animal care staff. There is a need for increased awareness and a One Health approach to preparation for outbreaks in wildlife rescue centers in primate range states where MPXV occurs. Control measures should include quarantining affected animals, limiting human contacts, surveillance of humans and animals, use of personal protective equipment, and regular decontamination of enclosures. [ABSTRACT FROM AUTHOR]

Social determinants of health (SDH) have been found to be important contributors to postoperative outcomes, especially those related to procedures that require significant postoperative resources. The association between short-term gastrostomy tube (GT) outcomes and SDH in the pediatric population is unknown. A retrospective review was performed of all patients less than 18 y old who received a GT between January 2018 and December 2020 at a single institution. Data including demographics, area deprivation index (ADI), and perioperative information were collected. Patient characteristics were compared in those that did and did not have an unexpected emergency department (ED) visit within 6 wk of discharge from GT placement. Statistical analysis was performed using Wilcoxon sum-rank, Chi-squared test, and Fisher's exact test where applicable, and univariable and multivariable logistic regression. Of the 541 children who underwent GT placement, 112 (20.7%) returned to the ED within 6 wk postdischarge. In univariable analysis, Black children had 1.64 the odds of an unexpected ED visit compared to White children (95% confidence interval [CI] 1.04-2.60, P = 0.03). When controlling for ethnicity, primary language, insurance, ADI and comorbidities, Black children had 1.80 the odds of an unexpected ED visit compared to White children (95% CI 1.10-2.97, P = 0.02). Final model fit which added a race by ADI interaction term revealed Black children had 2.52 the odds of an unexpected ED visit compared to White children in the low (1-6) ADI group (95% CI 1.41-4.60, P = 0.002). Within advantaged neighborhoods (ADI 1-6), the probability of unplanned ED visits for White children was 17.3% (95%CI 8.9% - 31.1%), which was significantly lower than that for Black children (34.6%, 95% CI 18.8% - 54.7%; P value = 0.006). Race and neighborhood disadvantage can be associated with unexpected ED visits within 6 wk of discharge from GT placement in the pediatric population. For procedures that require significant postdischarge resources it is important to study the effect of SDH on return to the healthcare system as they can be an important driver of disparities in outcomes. [ABSTRACT FROM AUTHOR]