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The development needed in assessment practices and research on communication effectiveness will not be easy, but it is the value instructors and scholars in communication can provide, regardless of subdiscipline or research agenda. Expectations, though, are that instructors and administrators can provide assessment data that supports the value of the foundational course and deliver on the promise to equip students with communication skills that will be useful in their futures. By continually defining communication effectiveness for assessment in the foundational communication course, the discipline reclaims its purpose and recognizes the value of its scholars and instructors. Further, the prevailing insistence on calling the foundational course "basic" has had a harmful and negative impact on how foundational course scholars and instructors are perceived and valued. [Extracted from the article]

Perfluoroalkyl substances (PFAS) are a family of chemical species consisting of a perfluorinated C-F bonded backbone, granting high thermal and aqueous stability. However, as they have been found to cause deleterious health effects in humans, their lack of degradation in air or water has led to the desire for new remediation technology, and absorptive removal by porous materials has been found to be a promising way to accomplish this. In this work, we investigate the metal organic framework (MOF) family known as M -MOF-74 (M = Cu, Mg, Zn, Pt) as potential adsorbents for the PFAS molecules PFOA, PFOS, and TFA. Using a combination of density functional theory (DFT) and ab initio molecular dynamics (AIMD) calculations, we find that protonated PFAS molecules can adsorb strongly in the M -MOF-74 frameworks, and that changing the M site results in tunability of the adsorption energy. Second, we find that, given the same length of the C backbone, those terminated by a -COOH group versus a -SO 3 H group binds more strongly; furthermore, the C backbone length has an effect as well, with long-chain PFAS adsorbing more strongly than short-chain. Finally, we find that deprotonated PFAS molecules do not interact with MOF compounds and display a positive adsorption energy, with Bader charge calculations show a distinct difference between protonated and deprotonated PFAS molecules. Through this work, we disentangle how MOF and PFAS chemistry affects adsorption in this family of compounds. [Display omitted] [ABSTRACT FROM AUTHOR]

The Brains for Dementia Research (BDR) cohort (~3200) is a longitudinal clinicopathological programme, complimented with genetic analysis for the purposes of aetiological investigation into dementia. Here the data from genetic association analyses are presented from the initial collection of DNA from the BDR cohort. The aim of this study was to investigate the preliminary association signals for pathologically confirmed Alzheimer's disease samples compared to controls with no other pathology (n = 520). Genome-wide genotyping was carried out using the NeuroChip platform. Analysis utilised the standard PLINK software for association studies. Genome-wide Bonferroni significant association were observed on chr19 around the APOE/TOMM40 locus across 2 distinct linkage disequilibrium blocks. Eleven of the top 35 association signals have been identified in previous studies, in addition to an intriguing SNP association within the FPR1 gene locus. This study suggests the BDR is genetically comparable to other Alzheimer's disease cohorts and offers an independent resource to verify findings, and additional genetic data for meta-analyses. [ABSTRACT FROM AUTHOR]

Calcium ion batteries are gaining attention as alternatives to lithium‐ion technology because they offer comparable properties at reduced cost and improved safety. However, progress has been limited because of the inability to efficiently and reversibly plate and strip Ca metal anodes in organic electrolytes. Moreover, the inorganic components of the solid‐electrolyte interphase (SEI) that form via decomposition of the electrolyte often do not allow for the diffusion of Ca ions. In this work, an approach combining density functional theory and ab initio molecular dynamics (AIMD) simulations is utilized to show that the use of a preformed artificial SEI layer of amorphous Al2O3 can potentially prevent electrolyte decomposition. First, Ca is shown to be able to intercalate into an amorphous Al2O3 layer (up to Ca1.5Al2O3) and diffuse through on a reasonable time scale. Through calculation of the density of states, the system is found to remain insulating up to the equilibrium stoichiometry. Finally, AIMD simulations with a realistic organic electrolyte environment are used to show that this calcinated Al2O3 layer completely prevents the decomposition of solvent molecules. This approach can provide a route to efficient rechargeable Ca ion batteries, paving the way for cheap large‐scale energy storage. [ABSTRACT FROM AUTHOR]

Orthotic management is frequently part of the rehabilitation of various neurological conditions in adults such as stroke, peripheral neuropathies, spinal cord injuries and multiple sclerosis. Despite this, there are limited data available on the implementation of orthotic care in practice. The primary aim of this study is to establish the proportion of inpatients in a mixed neurorehabilitation cohort which receive orthotic assessment and treatment. The secondary aim was to document the overall care pathway. Existing data were reviewed retrospectively. Data gathered included patient demographics such as age, gender and diagnosis, type of orthoses prescribed, number of orthotic treatment sessions required and outcome measures used. The paper was prepared in accordance with the STROBE statement for observational studies. During a 6 month period, 54 patients were admitted as inpatients. Of these, 25 (46%) were referred to the orthotic service for assessment, with 23 (43%) receiving a lower limb orthosis and 19 (35%) subsequently being discharged using either an ankle-foot orthosis or knee-ankle-foot orthosis. The conditions most commonly seen were stroke (40%), incomplete spinal cord injuries (28%) and peripheral neuropathies (16%). Significant improvements were recorded at discharge using the Functional Independence Measure (FIM) and Functional Assessment Measure (FAM). Various aspects of the orthotic care process are described. This study suggests that orthotic treatment is needed with high frequency in a mixed inpatient neurorehabilitation cohort. In terms of service planning, these data support existing the recommendation that neurological rehabilitation centres should have good access to orthotic services. Custom orthoses such as AFOs and KAFOs are frequently needed by neurological rehabilitation inpatients. Orthoses may facilitate standing and walking at an earlier stage during rehabilitation. Those responsible for neurological rehabilitation services should ensure appropriate access to orthotic services. [ABSTRACT FROM AUTHOR]

Chemical equivalence testing can be used to assess the biocompatibility implications of a materials or manufacturing change for a medical device. This testing can provide a relatively facile means to evaluate whether the change may result in additional or different toxicological concerns. However, one of the major challenges in the interpretation of chemical equivalence data is the lack established criteria for determining if two sets of extractables data are effectively equivalent. To address this gap, we propose a two–part approach based upon a relatively simple statistical model. First, the probability of a false positive conclusion, wherein there is an incorrectly perceived increase for a given analyte in the comparator relative to the baseline device, can be reduced to a prescribed level by establishing an appropriate acceptance criterion for the ratio of the observed means. Second, the probability of a false negative conclusion, where an actual increase in a given analyte cannot be discerned from the test results, can be minimized by specifying a limiting value of applicability based on the margin of safety (MoS) of the analyte. This approach provides a quantitative, statistically motivated method to interpret chemical equivalence data, despite the relatively high intrinsic variability and small number of replicates typically associated with a chemical characterization evaluation. • Statistical model guides acceptance criteria for chemical equivalence evaluation. • Acceptable observed comparator to baseline ratio minimizes false positives. • Applicable margin of safety (MoS) limit minimizes false negatives. • Examples illustrate use to establish chemical equivalence for specific analytes. [ABSTRACT FROM AUTHOR]

Supplemental digital content is available in the text. Introduction: Ankle-foot orthoses (AFOs) are a well-recognized aspect of the rehabilitation of walking in Guillain-Barré syndrome (GBS), but there is little evidence for the effectiveness of orthoses in GBS and little information on which orthotic designs should be used. This study reports on the use of flexible, semirigid, and rigid AFOs in a subject with GBS. Materials and Methods: This study presents data from a single subject in the first 9 months after severe GBS. Outcome measures used include walking speed, timed independent standing, and self-reported confidence in standing and walking. Results: Improvements in standing and walking were demonstrated with the use of custom rigid AFOs. Later on, similar performance was achieved using less rigid prefabricated AFOs. Self-reported confidence remained higher using custom rigid AFOs. Conclusion: In one subject with severe GBS, different designs of AFOs improved the performance of standing and walking. Custom rigid AFOs may be a more appropriate prescription in the presence of severe weakness. [ABSTRACT FROM AUTHOR]

Nanocrystalline Fe5Si3 structures embedded within the top 50 nm of Si substrate have been synthesized via low-energy (50 keV) Fe− ion implantation and subsequent thermal annealing in vacuum at 500 °C for 1 h. Prior to the ion irradiation, the distribution of the implanted ions and sputtering of the implanted and target atoms were modeled using both static and dynamic ion solid interaction simulation codes in order to determine the desired ion implantation experimental parameters. The simulation showed that for a 50 keV Fe ion beam, the concentration of the Fe reaches a saturation value of 48% at a fluence ~ 2 × 1017 ions/cm2, while distributed within the top 60 nm from the surface of the Si substrate. Depth profile utilizing X-ray photoelectron spectroscopy spectra along with Ar-ion etching shows the presence of Fe ions buried under the surface of Si. X-ray diffraction pattern confirms the presence of crystalline Fe5Si3 in Si. In the vibrating sample magnetometer analysis, the synthesized Fe5Si3 nanocrystal structures show superparamagnetic behavior with very low magnetization at room temperature. [ABSTRACT FROM AUTHOR]

Alloyed transition metal dichalcogenides provide an opportunity for coupling band engineering with valleytronic phenomena in an atomically-thin platform. However, valley properties in alloys remain largely unexplored. We investigate the valley degree of freedom in monolayer alloys of the phase change candidate material WSe2(1-x)Te2x. Low temperature Raman measurements track the alloy-induced transition from the semiconducting 1H phase of WSe2 to the semimetallic 1Td phase of WTe2. We correlate these observations with density functional theory calculations and identify new Raman modes from W-Te vibrations in the 1H-phase alloy. Photoluminescence measurements show ultra-low energy emission features that highlight alloy disorder arising from the large W-Te bond lengths. Interestingly, valley polarization and coherence in alloys survive at high Te compositions and are more robust against temperature than in WSe2. These findings illustrate the persistence of valley properties in alloys with highly dissimilar parent compounds and suggest band engineering can be utilized for valleytronic devices. Alloyed transition metal dichalcogenides provide a route toward atomically-thin phase change memories that host valleytronic behaviours. Here, Raman and photoluminescence spectroscopies are employed to demonstrate the robustness of valley polarisation to chemical substitution in monolayer alloys. [ABSTRACT FROM AUTHOR]

This case report presents an occurrence of painful peroneal tendinopathy in a high risk diabetic foot following Charcot neuroarthropathy, managed using foot orthoses. Self-reported pain intensity was assessed using the 11-point numeric pain rating scale (NRS-11). Peak plantar pressures were assessed using the Pressure Guardian system for three conditions: 3.2mm poron inlay (control), custom foot orthosis, and custom foot orthosis with lateral wedge. Following addition of lateral wedging to the existing foot orthoses, pain reduced to a satisfactory level for the subject. Plantar pressure measurement showed that the addition of lateral wedging did not increase peak plantar pressures above 200kPa, a proposed dangerous level of pressure. Additionally, the foot orthoses still successfully reduced peak plantar pressures to below 200kPa, compared to walking without them. Peroneal tendinopathy should be considered as a possible cause of lateral ankle pain in neuropathic diabetic feet. Lateral wedging can be considered as one option to reduce pain in peroneal tendinopathy, and may not compromise the protective effect of foot orthoses in high risk feet. [ABSTRACT FROM AUTHOR]

Abstract Silicate minerals such as "Mg-Fe-Si-O" compounds, are found in asteroids, planets, and cosmic dust grains in the interstellar medium. As the silicate dust grains traverse regions of space, they are irradiated by energetic ions, such as alpha particles, which can modify the crystalline phase of the mineral dust. Silicate dust grain analogues were synthesized using multiple low energy (<60 keV) ion (Fe−, Mg−, O−) implantations into a silicon wafer. The low energy ion beam as-implanted samples were cut into several smaller sections. Some of these low-energy as-implanted samples were further irradiated with a 600 keV helium ion beam at varying current densities (ions/unit area/unit time) and subsequent furnace annealed at 1000 °C temperature in Ar gas environment. The crystalline phases of the post annealed samples were monitored and reported as a function of current densities using x-ray diffraction (XRD). The XRD results showed an increase in the crystalline phases of olivine by the high-energy helium ion irradiation processing with a beam of current density of 500 nA/cm2. This work is relevant for space weathering processes as well as solid material evolution in astrophysical environments, especially asymptotic giant branch stars with an oxygen rich outflow. [ABSTRACT FROM AUTHOR]

Introduction: There is little information available on outcomes after prosthetic/orthotic management in partial foot amputation (PFA) in children. Methods: This case study evaluates walking speed, community activity level, and physical function in a child with bilateral PFA after a change from an orthosis finishing distal to the ankle to one finishing proximal to the ankle. Outcome measures used were walking speed (10-meter walk test), the Gillette Functional Assessment Questionnaire (GFAQ), and the Oxford Ankle Foot Questionnaire for Children (OxAFQ-C) physical domain. Results: At 3-month review GFAQ level increased by 3, OxAFQ-C physical domain increased 50 percentage points, and self-selected velocity increased 0.25 m/s. Conclusions: This case study suggests that improvements in walking speed, community activity level, and physical function are possible in children with bilateral PFA when changing to orthoses, which compensate for mechanical deficits caused by the reduced lever arm of the foot. [ABSTRACT FROM AUTHOR]

Introduction: Outcome measures (OMs) are an important aspect of clinical practice, but there is limited information available on practice concerning OMs among prosthetists and orthotists. This preliminary study aims to identify OMs used, frequency of OM use, and barriers to OM use among prosthetists and orthotists in the United Kingdom (UK). Materials and Methods: This study is a cross-sectional survey. A 34-item online questionnaire was devised and administered via the Web site of the British Association of Prosthetists and Orthotists. Results: A total of109 complete responses were received. Results indicate that the majority of prosthetists and orthotists in the UK use OMs; however, only 28% are routine users. Use of OMs is affected by factors including education, work environment, and clinical specialty. Lack of training, availability of clinical time for review appointments, and motivation are reported as barriers to the routine use of OMs. Conclusions: A picture of current practice concerning OMs among UK prosthetists and orthotists is presented. [ABSTRACT FROM AUTHOR]

Extraction testing is critical for biocompatibility evaluation of medical devices, whether to generate samples for biological testing or form the basis for toxicological risk assessment. However, it is not always clear how to compare extraction testing between different extraction conditions and sample geometries. We employ a physics-based model to elucidate the theoretical impact of extraction conditions, sample geometry and material properties on extraction efficiency (M / M 0) and extract concentration (C / C 0) for single–step and iterative/exhaustive extraction test methods. The model is specified by three parameters: thermodynamic contributions (Ψ), kinetic contributions (τ), and number of extraction iterations (N). We find that over the range of typical parameters for single–step extractions, M / M 0 only approaches one (complete exhaustion) for relatively large values of Ψ (≥ 10) and τ (≥ 1). Further, the model suggests that test article geometry and solvent volume can have a dramatic and sometimes opposing effect on M / M 0 and C / C 0. Our results imply that iterative extractions can be approximated as a single–step extraction with scaled parameters Ψ′ = Ψ N and τ ′ = τN. The model provides a framework to reduce the biocompatibility evaluation test burden by optimizing test article and extraction condition selection and guiding development of new test protocols. • Physics-based model guides extraction testing for biocompatibility evaluation. • Complete extraction only occurs within specific limits identified by the model. • Optimal extraction conditions are geometry and endpoint dependent. • Scaling relations provide a facile means to compare extraction test conditions. [ABSTRACT FROM AUTHOR]

The peels of different pomegranate cultivars (Molla Nepes, Parfianka, Purple Heart, Wonderful and Vkunsyi) were compared in terms of phenolic composition and total phenolics. Analyses were performed on two silica hydride based stationary phases: phenyl and undecanoic acid columns. Quantitation was accomplished by developing a liquid chromatography with mass spectrometry approach for separating different phenolic analytes, initially in the form of reference standards and then with pomegranate extracts. The high-performance liquid chromatography columns used in the separations had the ability to retain a wide polarity range of phenolic analytes, as well as offering beneficial secondary selectivity mechanisms for resolving the isobaric compounds, catechin and epicatechin. The Vkunsyi peel extract had the highest concentration of phenolics (as determined by liquid chromatography with mass spectrometry) and was the only cultivar to contain the important compound punicalagin. The liquid chromatography with mass spectrometry data were compared to the standard total phenolics content as determined by using the Folin-Ciocalteu assay. [ABSTRACT FROM AUTHOR]

Noncentrosymmetric mixed-metal carbonate fluorides are promising materials for deep-ultraviolet (DUV) nonlinear optical (NLO) applications. We report on the synthesis, characterization, structure-property relationships, and electronic structure calculations on two new DUV NLO materials: KMgCO3F and Cs9Mg6(CO3)8F5. Both materials are noncentrosymmetric (NCS). KMgCO3F crystallizes in the achiral and nonpolar NCS space group P6m, whereas Cs9Mg6(CO3)8F5 is found in the polar space group Pmn21. The compounds have three-dimensional structures built up from corner-shared magnesium oxyfluoride and magnesium oxide octahedra. KMgCO3F (Cs9Mg6(CO3)8F5) exhibits second-order harmonic generation (SHG) at both 1064 and 532 nm incident radiation with efficiencies of 120 (20) × α-SiO2 and 0.33 (0.10) × β-BaB2O4, respectively. In addition, short absorption edges of <200 and 208 nm for KMgCO3F and Cs9Mg6(CO3)8F5, respectively, are observed. We compute the electron localization function and density of states of these two compounds using first-principles density functional theory, and show that the different NLO responses arise from differences in the denticity and alignment of the anionic carbonate units. Finally, an examination of the known SHG active AMCO3F (A = alkali metal, M = alkaline earth metal, Zn, Cd, or Pb) materials indicates that, on average, smaller A cations and larger M cations result in increased SHG efficiencies. [ABSTRACT FROM AUTHOR]

Using a liquid chromatography–mass spectrometry (LC–MS) method in conjunction with two complementary types of chromatographic retention modes — reversed phase and aqueous normal phase — various compounds present in mesquite flour extracts were identified. Because of the diverse types of chemical constituents found in such natural product extracts, a single chromatographic mode may not be sufficient for a comprehensive characterization. However, the combination of reversed-phase and aqueous normal phase LC can encompass a wide range of analyte polarity. This characterization of the composition of mesquite flour could be used in future studies to elucidate the beneficial health effects of its consumption. [ABSTRACT FROM AUTHOR]

Adequate detection of frans-resveratrol in wine is complicated by two factors: relatively low levels and interferences from matrix components. Here, we present two useful approaches to overcoming these issues depending on the instrumentation available. For high performance liquid chromatography (HPLC) analyses with ultraviolet (UV) detection, matrix peaks can be removed by microextraction using a packed sorbent while simultaneously concentrating the frans-resveratrol peak by a factor of two. For liquid chromatography-mass spectrometry (LC-MS), the extracted ion chromatogram for the [M + H]+ analyte ion can be used to obtain specificity without prior extraction procedures. [ABSTRACT FROM AUTHOR]

Three novel electropolymerizable thiophene-based ionic liquids (ILs) were synthesized and characterized as potential candidates for developing selective extraction media for chemical analysis. Electropolymerization of the bis[(trifluoromethyl)sulfonyl]imide ([NTf 2 ] - ) analogs successfully produced uniform polymeric thin-films on macro- and microelectrode substrates from both vinyl and methylimidazolium IL monomer derivatives. The resultant conducting polymer IL (CPIL) films were characterized by electrochemical methods and found to exhibit attractive behavior towards anionic species while simultaneously providing an exclusion barrier toward cationic species. Thermogravimetric analysis of the thiophene-based IL monomers established a high thermal stability, particularly for the methylimidazolium IL, which was stable until temperatures above 350 °C. Subsequently, the methylimidazolium IL was polymerized on 125 μm platinum wires and utilized for the first time as a sorbent coating for headspace solid-phase microextraction (HS-SPME). The sorbent coating was easily prepared in a reproducible manner, provided high thermal stability, and allowed for the gas chromatographic analysis of polar analytes. The normalized response of the poly[thioph-C 6 MIm][NTf 2 ]-based sorbent coating exhibited higher extraction efficiency compared to an 85 μm polyacrylate fiber and excellent fiber-to-fiber reproducibility. Therefore, the electropolymerizable thiophene-based ILs were found to be viable new materials for the preparation of sorbent coatings for HS-SPME. [ABSTRACT FROM AUTHOR]

Targeted mutagenesis, editing of endogenous maize (Zea mays) genes, and site-specific insertion of a trait gene using clustered regularly interspaced short palindromic repeats (CRISPR)-associated (Cas)-guide RNA technology are reported in maize. DNA vectors expressing maize codon-optimized Streptococcus pyogenes Cas9 endonuclease and single guide RNAs were cointroduced with or without DNA repair templates into maize immature embryos by biolistic transformation targeting five different genomic regions: upstream of the liguleless1 (LIG1) gene, male fertility genes (Ms26 and Ms45), and acetolactate synthase (ALS) genes (ALS1 and ALS2). Mutations were subsequently identified at all sites targeted, and plants containing biallelic multiplex mutations at LIG1, Ms26, and Ms45 were recovered. Biolistic delivery of guide RNAs (as RNA molecules) directly into immature embryo cells containing preintegrated Cas9 also resulted in targeted mutations. Editing the ALS2 gene using either single-stranded oligonucleotides or double-stranded DNA vectors as repair templates yielded chlorsulfuron-resistant plants. Double-strand breaks generated by RNA-guided Cas9 endonuclease also stimulated insertion of a trait gene at a site near LIG1 by homology-directed repair. Progeny showed expected Mendelian segregation of mutations, edits, and targeted gene insertions. The examples reported in this study demonstrate the utility of Cas9-guide RNA technology as a plant genome editing tool to enhance plant breeding and crop research needed to meet growing agriculture demands of the future. [ABSTRACT FROM AUTHOR]

Recent experimental and theoretical work has shown that the double perovskite NaLaMnWO6 exhibits antiferromagnetic ordering owing to the Mn d states, and computational studies further predict it to exhibit a spontaneous electric polarization due to an improper mechanism for ferroelectricity [King et al., Phys. Rev. B: Condens. Matter, 2009, 79, 224428; Fukushima et al., Phys. Chem. Chem. Phys., 2011, 13, 12186], which make it a candidate multiferroic material. Using first-principles density functional calculations, we investigate nine isostructural and isovalent AA′MnWO6 double perovskites (A = Na, K, and Rb; A′ = La, Nd, and Y) with the aim of articulating crystal-chemistry guidelines describing how to enhance the magnitude of the electric polarization through chemical substitution of the A-site while retaining long-range magnetic order. We find that the electric polarization can be enhanced by up to 150% in compounds which maximize the difference in the ionic size of the A and A′ cations. By examining the tolerance factors, bond valences, and structural distortions (described by symmetry-adapted modes) of the nine compounds, we identify the atomic scale features that are strongly correlated with the ionic and electronic contributions to the electric polarization. We also find that each compound exhibits a purely electronic remnant polarization, even in the absence of a displacive polar mode. The analysis and design strategies presented here can be further extended to additional members of this family (B = Fe, Co, etc.), and the improper ferroelectric nature of the mechanism allows for the decoupling of magnetic and ferroelectric properties and the targeted design of novel multiferroics. [ABSTRACT FROM AUTHOR]

Electrochemical upcycling of nitrate into ammonia at ambient conditions offers a sustainable synthesis pathway that can complement the current industrial NH3 production from the Haber–Bosch process. One of the key rate‐limiting steps is the effective desorption of gaseous or interfacial bubble products, mainly NH3 with some minor side products of nitrogen and hydrogen, from the electrode surfaces to sustain available sites for the NO3− reduction reaction. To facilitate the gaseous product desorption from the catalytic sites, hydrophobic polytetrafluoroethylene (PTFE) nanoparticles are blended within a CuO catalyst layer, which is shown to eliminate the undesirable accumulation and blockage of electrode surfaces and largely decouples the electron‐ and phase‐transfer processes. The NH3 partial current density normalized by the electrochemically active surface area (ECSA) increases by nearly a factor of 17.8 from 11.4 ± 0.1 to 203.3 ± 1.8 mA cm−2ECSA. The DFT and ab‐initio molecular dynamics simulations suggest that the hydrophobic PTFE nanoparticles may serve as segregated islands to enhance the spillover and transport the gaseous products from electrocatalysts to the PTFE. Thus, a higher ammonia transfer is achieved for the mixed PTFE/CuO electrocatalyst. This new and simple strategy is expected to act as inspiration for future electrochemical gas‐evolving electrode design. [ABSTRACT FROM AUTHOR]

Demands for low-power and high-efficiency electronic devices have spurred an increased interest in new ferroelectric oxides, which display spontaneous electric polarizations. There are only a few mechanisms, however, capable of producing ordered dipoles in solid-state materials. Using first-principles density functional calculations, we extend the current repertoire and identify the required rotational patterns conducive to "geometric" ferroelectricity in (A,A')B2O6 perovskite oxides with A cation order along [001]-, [111]-, and [110]-directions. For the polar oxides, we show that electric polarizations arise through a geometric, "rotation-induced" mechanism and are greater than those induced by spin-driven mechanisms. We also discuss the energetics of each ordered arrangement and explain how competing centrosymmetric phases can lead to potential complications in thin-film growth of these materials. Finally, we generalize these results to a simple set of structural chemistry guidelines, which may be used to design other artificial oxides without inversion symmetry. [ABSTRACT FROM AUTHOR]

Five ingredients (caffeine, l-arginine, creatine, β-alanine, and 1,3-dimethylamylamine) from a workout supplement were separated by HPLC with UV detection and LC- MS using an analytical column based on silica hydride operating in aqueous normal phase mode. While RP methods were observed to be inadequate for the analysis due to low retention, aqueous normal phase chromatography was able to readily retain and resolve the analytes. After method development on the HPLC- UV system, the conditions were successfully transferred to an LC- MS system for analysis. Based on calibration curve data, estimates of 63.5, 380.3, and 13.1 mg/serving (5.50 g) were obtained for creatine, l-arginine, and 1,3-dimethylamylamine, respectively. Standard addition data results were compared to those of the calibration curve study, and the two values differed by less than 1% in the case of creatine. The conditions are suitable for further development as a reliable means of quantitating the analytes in workout supplement formulations. [ABSTRACT FROM AUTHOR]

A modified glassy carbon (GC) electrode was developed for the amperometric detection of biogenic amines, particularly histamine. The electrode was modified with the co-enzyme pyrroloquinoline quinone (PQQ) by entrapment during electropolymerziation of pyrrole to form polypyrrole (PPy). This method formed a thin film on the electrode surface possessing very good stability with a shelf-life exceeding one month without loss of signal. Optimal conditions for the PQQ/PPy electrode were determined and a linear response was found for histamine in phosphate buffer (pH 6) at +550 mV from 40 to 170 mg L−1 with a limit of detection ( S/N≥3) of 38 mg L−1. The practical linear range offered by this method suggests ideal use for spoilage detection in fermented foods. [ABSTRACT FROM AUTHOR]

The receptive fields of neurons in primary visual cortex that are inactivated by retinal damage are known to 'shift' to nondamaged retinal locations, seemingly due to the plasticity of intracortical connections. We have observed in cats that these shifts occur in a pattern that is highly convergent, even among receptive fields that are separated by large distances before inactivation. Here we show, using a computational model of primary visual cortex, that the observed convergent shifts are inconsistent with the common assumption that the underlying intracortical connection plasticity is dependent on the temporal correlation of pre- and postsynaptic action potentials. The shifts are, however, consistent with the hypothesis that this plasticity is dependent on the temporal order of pre- and postsynaptic action potentials. This convergent reorganization seems to require increased neuronal gain, revealing a mechanism that networks may use to selectively facilitate the didactic transfer of neuronal response properties. [ABSTRACT FROM AUTHOR]

Peripheral distribution of the insect juvenile hormones (JHs) requires hemolymph transport proteins. A comparison of three strains of the tobacco hornworm Manduca sexta indicates that hemolymph JH binding protein (hJHBP) levels in the Madison wild-type (Mwt) strain are significantly higher than in the black larval mutant (bl) and Seattle wild-type (Swt) strains. To correlate differences in hJHBP levels between strain phenotypes with the hJHBP locus, we sequenced 8.4 kb of the hJHBP gene locus from each strain. Snb, an allele found in the Swt and bl strains, contains a 408 bp repetitive nuclear element flanked by 15 bp direct repeats. Mating studies coupled with molecular genotyping demonstrate that the presence of Snb correlates with a twofold lower hJHBP level relative to the allele found in the Mwt strain. Despite the lower hJHBP levels in individuals carrying the Snb gene, hemolymph levels of JH do not appear to be significantly affected. [Copyright &y& Elsevier]

Ferro‐rotational (FR) materials, renowned for their distinctive material functionalities, present challenges in the growth of homo‐FR crystals (i.e., single FR domain). This study explores a cost‐effective approach to growing homo‐FR helimagnetic RbFe(SO4)2 (RFSO) crystals by lowering the crystal growth temperature below the TFR threshold using the high‐pressure hydrothermal method. Through polarized neutron diffraction experiments, it is observed that nearly 86% of RFSO crystals consist of a homo‐FR domain. Notably, RFSO displays remarkable stability in the FR phase, with an exceptionally high TFR of ≈573 K. Furthermore, RFSO exhibits a chiral helical magnetic structure with switchable ferroelectric polarization below 4 K. Importantly, external electric fields can induce a single magnetic domain state and manipulate its magnetic chirality. The findings suggest that the search for new FR magnets with outstanding material properties should consider magnetic sulfates as promising candidates. [ABSTRACT FROM AUTHOR]

A synthesis process is presented for experimentally simulating modifications in cosmic dust grains using sequential ion implantations or irradiations followed by thermal annealing. Cosmic silicate dust analogues were prepared via implantation of 20–80 ​keV Fe−, Mg−, and O− ions into commercially available p-type silicon (100) wafers. The as-implanted analogues are amorphous with a Mg/(Fe ​+ ​Mg) ratio of 0.5 tailored to match theoretical abundances in circumstellar dusts. Before the ion implantations were performed, Monte-Carlo-based ion-solid interaction codes were used to model the dynamic redistribution of the implanted atoms in the silicon substrate. 600 ​keV helium ion irradiation was performed on one of the samples before thermal annealing. Two samples were thermally annealed at a temperature appropriate for an M-class stellar wind, 1000 ​K, for 8.3 ​h in a vacuum chamber with a pressure of 1 ​× ​10−7 torr. The elemental depth profiles were extracted utilizing Rutherford Backscattering Spectrometry (RBS) in the samples before and after thermal annealing. X-ray diffraction (XRD) analysis was employed for the identification of various phases in crystalline minerals in the annealed analogues. Transmission electron microscopy (TEM) analysis was utilized to identify specific crystal structures. RBS analysis shows redistribution of the implanted Fe, Mg, and O after thermal annealing due to incorporation into the crystal structures for each sample type. XRD patterns along with TEM analysis showed nanocrystalline Mg and Fe oxides with possible incorporation of additional silicate minerals. • Ion-beam synthesis of astrophysical silicate analogues via theoretical simulation and experimentation. • Synthesis of magnesiowüstite nanocrystallites embedded in an amorphous silicate matrix. • Investigation of transitions from amorphous to crystalline silicate phases using XRD, TEM, and ion beam analysis techniques. [ABSTRACT FROM AUTHOR]

An amendment to this paper has been published and can be accessed via a link at the top of the paper. [ABSTRACT FROM AUTHOR]

CRISPR-Cas systems are robust and facile tools for manipulating the genome, epigenome and transcriptome of eukaryotic organisms. Most groups use class 2 effectors, such as Cas9 and Cas12a, however, other CRISPR-Cas systems may provide unique opportunities for genome engineering. Indeed, the multi-subunit composition of class 1 systems offers to expand the number of domains and functionalities that may be recruited to a genomic target. Here we report DNA targeting in Zea mays using a class 1 type I-E CRISPR-Cas system from S. thermophilus. First, we engineer its Cascade complex to modulate gene expression by tethering a plant transcriptional activation domain to 3 different subunits. Next, using an immunofluorescent assay, we confirm Cascade cellular complex formation and observe enhanced gene activation when multiple subunits tagged with the transcriptional activator are combined. Finally, we examine Cascade mediated gene activation at chromosomal DNA targets by reprogramming Zea mays cells to change color. Class 2 CRISPR-Cas systems are widely used in genome editing. Joshua Young1, Stephen Gasior et al. now engineer the type I-E Cascade complex from S. thermophiles, optimize the system for expression and nuclear localization in Zea mays and show it compares favorably with Cas9 as a RNA-guided transcriptional activator. [ABSTRACT FROM AUTHOR]

CRISPR-Cas9 enabled genome engineering has great potential for improving agriculture productivity, but the possibility of unintended off-target edits has evoked some concerns. Here we employ a three-step strategy to investigate Cas9 nuclease specificity in a complex plant genome. Our approach pairs computational prediction with genome-wide biochemical off-target detection followed by validation in maize plants. Our results reveal high frequency (up to 90%) on-target editing with no evidence of off-target cleavage activity when guide RNAs were bioinformatically predicted to be specific. Predictable off-target edits were observed but only with a promiscuous guide RNA intentionally designed to validate our approach. Off-target editing can be minimized by designing guide RNAs that are different from other genomic locations by at least three mismatches in combination with at least one mismatch occurring in the PAM proximal region. With well-designed guides, genetic variation from Cas9 off-target cleavage in plants is negligible, and much less than inherent variation. [ABSTRACT FROM AUTHOR]

The nonlinear optical (NLO) materials Sr3Zn3TeP2O14, Ba3Zn3TeP2O14, Pb3Mg3TeP2O14, Pb3Zn3TeP2O14, Pb3Zn3WP2O14, and Pb3Zn3VP2O14 are prepared by solid state reactions of stoichiometric mixtures of alkaline earth carbonates, metal oxides, H2TeO4, and NH4H2PO4 (Pt crucible, 1. [ABSTRACT FROM AUTHOR]

Catalyst layer, electron-transfer processes, microenvironments, nitrate reduction, phase-transfer processes, separation science Keywords: catalyst layer; electron-transfer processes; microenvironments; nitrate reduction; phase-transfer processes; separation science EN catalyst layer electron-transfer processes microenvironments nitrate reduction phase-transfer processes separation science 1 1 1 03/08/23 20230303 NES 230303 B Nitrate-to-Ammonia Conversion b In article number 2203891, Wen Zhang and co-workers report the blending of a proper level (surface area ratio, PTFE:CuO = 2.5) of hydrophobic polytetrafluoroethylene nanoparticles into a CuO electrocatalyst layer. Decoupling Electron- and Phase-Transfer Processes to Enhance Electrochemical Nitrate-to-Ammonia Conversion by Blending Hydrophobic PTFE Nanoparticles within the Electrocatalyst Layer (Adv. [Extracted from the article]

A correction to the article "Cortical reorganization consistent with spike timing—but not correlation-dependent plasticity," published on May 27, 2007 is presented.

Objective. Reasons for the increased incidence of chronic kidney disease (CKD) in patients with chronic hypoparathyroidism are poorly understood. This study evaluated associations between levels of albumin-corrected serum calcium, serum phosphate, and calcium-phosphate product and the odds of CKD development in patients with chronic hypoparathyroidism. Design. A retrospective nested case-control study of adult patients with chronic hypoparathyroidism who had ≥1 prescription for calcitriol who developed CKD and matched controls who did not develop CKD were selected from the IBM® Explorys electronic medical record database. Patients. The study included a cohort of 300 patients for the albumin-corrected serum calcium analysis and 80 patients for the serum phosphate and calcium-phosphate product analyses. Measurements. We examined associations between albumin-corrected serum calcium, serum phosphate and calcium-phosphate product levels, and the risk of devloping CKD (defined as ≥2 outpatient estimated glomerular filtration values <60 mL/min/1.73 m2 occuring ≥3 months apart or ≥1 diagnostic code for CKD stages 3–5). Results. Individuals who had ≥67% of albumin-corrected serum calcium measurements outside, above, or below the study-defined range (2.00–2.25 mmol/L [8.0–9.0 mg/dL]) had 3.5-, 2.9-, and 2.7-fold higher odds of developing CKD (adjusted odds ratios [95% CI]: 3.46 [1.82–6.56], 2.85 [1.30–6.28], and 2.68 [1.16–6.15]), respectively, compared with patients who had <33% of albumin-corrected calcium measurements in those ranges. There was no association between developing CKD and having any serum phosphate measurements or any calcium-phosphate product measurements above normal population ranges. Conclusion. In adult patients with chronic hypoparathyroidism, a higher proportion of albumin-corrected calcium measurements outside of the 2.00–2.25 mmol/L (8.0–9.0 mg/dL) range was associated with higher odds of developing CKD. [ABSTRACT FROM AUTHOR]

Biocompatibility evaluation of medical devices often relies on chemical testing according to ISO 10993–18 as a critical component for consideration. However, the precision associated with these non–targeted chemical characterization assessments has not been well established. Therefore, we have conducted a study to characterize intra–laboratory (repeatability) and inter–laboratory (reproducibility) variability associated with chemical testing of extractables from polymeric materials. To accomplish this, this study focused on two polymers, each with nine chemicals that were intentionally compounded into the materials. Eight different laboratories performed extraction testing in two solvents and subsequently characterized the extracts using gas chromatography and liquid chromatography methods. Analysis of the resulting data revealed the central 90 % range for the repeatability and reproducibility relative standard deviations are (0.09, 0.22) and (0.30, 0.85), respectively, for the participating laboratory methods. This finding implies that if the same sample was tested by two different laboratories using the same extraction conditions, there is 95 % confidence for 95 % of systems that the test results could exhibit differences up to 240 %. While the study was not designed to evaluate the relative impact of specific underlying factors that may contribute to variability in quantitation, the data obtained suggest the variability associated with analytical method alone is a substantial contribution to the overall variability. The relatively large reproducibility limits we observed may have significant implications where variability in extraction measurements can impact aspects of biocompatibility risk evaluation, such as exposure dose estimation and chemical equivalence assessments. • Established repeatability and reproducibility in medical device extraction studies. • Differences in quantitation ranged from 0.5 to 1 orders of magnitude. • Between laboratory variability 4x higher than within laboratory variability. • Differences in analytical methods are a major contributor to overall variability. • Non-targeted analytes inconsistently reported, but chemically similar. [ABSTRACT FROM AUTHOR]

Highlights: [•] Thiopurines are highly polar. [•] Aqueous normal phase method is described. [•] Analysis done without derivatization or ion-pairing. [•] Method can be easily adapted to clinical samples. [ABSTRACT FROM AUTHOR]

• Pt adsorption on an La 2 Ti 2 O 7 surface decreases the band gap, enhancing visible light adsorption. • The band gap and adsorptive properties depend on the LTO surface termination. • Single atom pt on the LTO (101) surface facet shows the strongest adsorption for acetic acid. • Photocatalytic ability of LTO can potential be enhanced via single atom pt adsorption. Charge generation and separation are two key processes for semiconductor photocatalysis. Here, we use Pt as a single atom catalyst to systematically examine the facet-dependent electronic band structure and light absorption of the layered perovskite-type wide-gap semiconductor, lanthanum titanium oxide (La 2 Ti 2 O 7 , LTO) by means of density functional theory simulations. It is found that single Pt atom doping of different LTO surfaces (here, (100), (101) and (001)) can not only create states in the bandgap that would promote the formation of recombination centers, but also shift the optical absorption edge to the visible region. Interestingly, the Pt doping forms a heterojunction, with the valence band maximum consisting of Pt states and the conduction band minimum consisting of LTO states, respectively. To study the facet dependent surface activity, acetic acid (CH 3 COOH) was used as a model molecule to investigate the adsorption and charge transfer on the (101), (100) and (001) Pt-LTO surface facets. The results show that the (101) facet could enable stronger adsorption of CH 3 COOH by promoting more electron transfer during the interfacial interaction. Our theoretical findings aim to promote the design and optimization of the single atom catalysts (SACs) for photocatalytic applications and other broad catalysis systems. [Display omitted] [ABSTRACT FROM AUTHOR]