bluuebunny/crossref_metadata_2025_split huggingface dataset:
Arsenic contamination of Bangladesh aquifers exacerbated by clay layers
Authors: Mihajlov Ivan , Mozumder M. Rajib H. , Bostick Benjamín C. , Stute Martin , Mailloux Brian J. , Knappett Peter S. K. , Choudhury Imtiaz , Ahmed Kazi Matin , Schlosser Peter , van Geen Alexander 
Published: May 2020

AbstractConfining clay layers typically protect groundwater aquifers against downward intrusion of contaminants. In the context of groundwater arsenic in Bangladesh, we challenge this notion here by showing that organic carbon drawn from a clay layer into a low-arsenic pre-Holocene (>12 kyr-old) aquifer promotes the reductive dissolution of iron oxides and the release of arsenic. The finding explains a steady rise in arsenic concentrations in a pre-Holocene aquifer below such a clay layer and the repeated failure of a structurally sound community well. Tritium measurements indicate that groundwater from the affected depth interval (40–50 m) was recharged >60 years ago. Deeper (55–65 m) groundwater in the same pre-Holocene aquifer was recharged only 10–50 years ago but is still low in arsenic. Proximity to a confining clay layer that expels organic carbon as an indirect response to groundwater pumping, rather than directly accelerated recharge, caused arsenic contamination of this pre-Holocene aquifer.
Reaction mechanism and kinetics for CO2 reduction on nickel single atom catalysts from quantum mechanics
Authors: Hossain Md Delowar , Huang Yufeng , Yu Ted H. , Goddard III William A. , Luo Zhengtang 
Published: May 2020

AbstractExperiments have shown that graphene-supported Ni-single atom catalysts (Ni-SACs) provide a promising strategy for the electrochemical reduction of CO2 to CO, but the nature of the Ni sites (Ni-N2C2, Ni-N3C1, Ni-N4) in Ni-SACs has not been determined experimentally. Here, we apply the recently developed grand canonical potential kinetics (GCP-K) formulation of quantum mechanics to predict the kinetics as a function of applied potential (U) to determine faradic efficiency, turn over frequency, and Tafel slope for CO and H2 production for all three sites. We predict an onset potential (at 10 mA cm−2) Uonset = −0.84 V (vs. RHE) for Ni-N2C2 site and Uonset = −0.92 V for Ni-N3C1 site in agreement with experiments, and Uonset = −1.03 V for Ni-N4. We predict that the highest current is for Ni-N4, leading to 700 mA cm−2 at U = −1.12 V. To help determine the actual sites in the experiments, we predict the XPS binding energy shift and CO vibrational frequency for each site.
Machine-learning informed prediction of high-entropy solid solution formation: Beyond the Hume-Rothery rules
Authors: Pei Zongrui , Yin Junqi , Hawk Jeffrey A. , Alman David E. , Gao Michael C. 
Published: May 2020

AbstractThe empirical rules for the prediction of solid solution formation proposed so far in the literature usually have very compromised predictability. Some rules with seemingly good predictability were, however, tested using small data sets. Based on an unprecedented large dataset containing 1252 multicomponent alloys, machine-learning methods showed that the formation of solid solutions can be very accurately predicted (93%). The machine-learning results help identify the most important features, such as molar volume, bulk modulus, and melting temperature. As such a new thermodynamics-based rule was developed to predict solid–solution alloys. The new rule is nonetheless slightly less accurate (73%) but has roots in the physical nature of the problem. The new rule is employed to predict solid solutions existing in the three blocks, each of which consists of 9 elements. The predictions encompass face-centered cubic (FCC), body-centered cubic (BCC), and hexagonal closest packed (HCP) structures in a high throughput manner. The validity of the prediction is further confirmed by CALculations of PHAse Diagram (CALPHAD) calculations with high consistency (94%). Since the new thermodynamics-based rule employs only elemental properties, applicability in screening for solid solution high-entropy alloys is straightforward and efficient.
Computational search for magnetic and non-magnetic 2D topological materials using unified spin–orbit spillage screening
Authors: Choudhary Kamal , Garrity Kevin F. , Jiang Jie , Pachter Ruth , Tavazza Francesca 
Published: May 2020

AbstractTwo-dimensional topological materials (2D TMs) have a variety of properties that make them attractive for applications including spintronics and quantum computation. However, there are only a few such experimentally known materials. To help discover new 2D TMs, we develop a unified and computationally inexpensive approach to identify magnetic and non-magnetic 2D TMs, including gapped and semi-metallic topological classifications, in a high-throughput way using density functional theory-based spin–orbit spillage, Wannier-interpolation, and related techniques. We first compute the spin–orbit spillage for the ~1000 2D materials in the JARVIS-DFT dataset, resulting in 122 materials with high-spillage values. Then, we use Wannier-interpolation to carry-out Z2, Chern-number, anomalous Hall conductivity, Curie temperature, and edge state calculations to further support the predictions. We identify various topologically non-trivial classes such as quantum spin-Hall insulators, quantum anomalous-Hall insulators, and semimetals. For a few predicted materials, we run G0W0+SOC and DFT+U calculations. We find that as we introduce many-body effects, only a few materials retain non-trivial band-topology, suggesting the importance of high-level density functional theory (DFT) methods in predicting 2D topological materials. However, as an initial step, the automated spillage screening and Wannier-approach provide useful predictions for finding new topological materials and to narrow down candidates for experimental synthesis and characterization.
The dynamic change of serum S100B levels from day 1 to day 3 is more associated with sepsis-associated encephalopathy
Authors: Wu Long , Feng Qing , Ai Mei-Lin , Deng Song-yun , Liu Zhi-Yong , Huang Li , Ai Yu-Hang , Zhang Lina 
Published: May 2020

AbstractWe investigated the role of dynamic changes of serum levels S100B protein in brain injury and poor outcome of sepsis. This is a prospective cohort study designed to include 104 adult patients with sepsis who are admitted to ICU from Jan 2015 to Aug 2016. Sepsis was defined as sepsis 3.0. Patients with a GCS score of <15, or at least one positive CAM-ICU score were thought to have brain dysfunction. 59 patients were diagnosed with SAE and the rest 45 patients were diagnosed with non-SAE. Serum S100B was measured on day 1 and 3 after ICU admission. Primary outcomes included brain dysfunction and 28-day/180-day mortality. The SAE group showed a significantly higher APACHE II score, SOFA scores, length of ICU stay, 28-day and 180-day mortality, serum S100B levels on day 1 and day 3. S100B levels on day 1 of 0.226 μg/L were diagnostic for SAE with 80.0% specificity and 66.1% sensitivity, and the area under (AUC) the curve was 0.728, S100B levels on day 3 of 0.144 μg/L were diagnostic for SAE with 84.44% specificity and 69.49% sensitivity, and the AUC was 0.819. In addition, the AUC for S100B on day 3 for predicting 180-day mortality was larger than for S100B on day 1 (0.731 vs. 0.611). Multiple logistic regression analysis showed that S100B3 (p = 0.001) but not S100B1 (p = 0.927) were independently correlated with SAE. Kaplan-Meier survival analysis showed that patients with S100B levels higher than 0.144 μg/L had a lower probability of survival at day 180. There were more patients with encephalopathy and a higher 28-day or 180-day mortality in the ΔS100B + group than in the ΔS100B- group. Multiple logistic regression analysis showed that SAE and IL-6 on day 3 were independently correlated with S100B dynamic increase. These findings suggest that elevated serum S100B levels on day 3 and the dynamic changes of serum S100B levels from day three to one were more associated with brain dysfunction and mortality than that on day 1 in patients with sepsis.
Red blood cells exposed to cancer cells in culture have altered cytokine profiles and immune function
Authors: Karsten Elisabeth , Breen Edmond , McCracken Sharon A. , Clarke Stephen , Herbert Benjamin R. 
Published: May 2020

AbstractIt is now accepted that red blood cells (RBCs) from healthy individuals regulate T-cell activity through modulating cytokine interactions, and that stored RBCs or RBCs from inflammatory cohorts are dysfunctional. Our study aimed to investigate how changes in RBCs that have been intentionally modified can affect T-cell activity as a mechanistic test of this modification. Exposure to a cancer cell line in culture was used to alter the cytokine profile of intact RBCs and the effect of these modified RBCs (ccRBCs) on T-cells was evaluated using flow cytometry. We used RBCs from healthy volunteers and quantified cytokines in RBC lysates and conditioned media using Luminex technology. During in vitro cancer cell exposure, RBCs sequestered a variety of cytokines including IL-8, bFGF, and VEGF. Although unmodified RBCs (oRBCs) stimulated proliferation of T-cells (Jurkat cells and peripheral blood mononucleated cells), ccRBCs augmented this proliferative response (3.5-fold and 1.9-fold more respectively). Unlike oRBCs, T-cells stimulated with ccRBCs were no longer protected from phytohemagglutinin-P-driven overexpression of GATA-3 and T-bet and these T-cells were induced to secrete a variety of cytokines including IL-17 and MCP-3. This study supports the hypothesis that RBCs are capable of binding and releasing cytokines in blood, and that modification of these cells can then also affect the T-cell response.
Fractionated radiation suppresses Kruppel-like factor 2 pathway to a greater extent than by single exposure to the same total dose
Authors: Sadhukhan Ratan , Leung Justin W. C. , Garg Sarthak , Krager Kimberly J. , Savenka Alena V. , Basnakian Alexei G. , Pathak Rupak 
Published: May 2020

AbstractKruppel-like factor 2 (KLF2) is a positive transcriptional regulator of several endothelial protective molecules, including thrombomodulin (TM), a surface receptor, and endothelial nitric oxide synthase (eNOS), an enzyme that generates nitric oxide (NO). Loss of TM and eNOS causes endothelial dysfunction, which results in suppressed generation of activated protein C (APC) by TM-thrombin complex and in upregulation of intercellular adhesion molecule 1 (ICAM-1). Mechanistic studies revealed that activation of extracellular signal-regulated kinase 5 (ERK5) via upregulation of myocyte enhancer factor 2 (MEF2) induces KLF2 expression. Radiation causes endothelial dysfunction, but no study has investigated radiation’s effects on the KLF2 pathway. Because fractionated radiation is routinely used during cancer radiotherapy, we decided to delineate the effects of radiation dose fractionation on the KLF2 signaling cascade at early time points (up to 24 h). We exposed human primary endothelial cells to radiation as a series of fractionated or as a single exposure, with the same total dose delivered to each group. We measured the expression and activity of critical members of the KLF2 pathway at subsequent time points, and determined whether pharmacological upregulation of KLF2 can reverse the radiation effects. Compared to single exposure, fractionated radiation profoundly suppressed KLF2, TM, and eNOS levels, subdued APC generation, declined KLF2 binding ability to TM and eNOS promoters, enhanced ICAM-1 expression, and decreased expression of upstream regulators of KLF2 (ERK5 and MEF2). Pharmacological inhibitors of the mevalonate pathway prevented fractionated-radiation–induced suppression of KLF2, TM, and eNOS expression. Finally, fractionated irradiation to thoracic region more profoundly suppressed KLF2 and enhanced ICAM-1 expression than single exposure in the lung at 24 h. These data clearly indicate that radiation dose fractionation plays a critical role in modulating levels of KLF2, its upstream regulators, and its downstream target molecules in endothelial cells. Our findings will provide important insights for selecting fractionated regimens during radiotherapy and for developing strategies to alleviate radiotherapy-induced toxicity to healthy tissues.
Discovery of genes and proteins possibly regulating mean wool fibre diameter using cDNA microarray and proteomic approaches
Authors: Zhao Jinshan , Qin Huaiyuan , Xin Jingjing , Liu Nan , Han Rongwei , Perez-Campo F. M. , Li Hegang 
Published: May 2020

AbstractWool fibre diameter (WFD) is one of the wool traits with higher economic impact. However, the main genes specifically regulating WFD remain unidentified. In this current work we have used Agilent Sheep Gene Expression Microarray and proteomic technology to investigate the gene expression patterns of body side skin, bearing more wool, in Aohan fine wool sheep, a Chinese indigenous breed, and compared them with that of small tail Han sheep, a sheep bread with coarse wool. Microarray analyses showed that most of the genes likely determining wool diameter could be classified into a few categories, including immune response, regulation of receptor binding and growth factor activity. Certain gene families might play a role in hair growth regulation. These include growth factors, immune cytokines, solute carrier families, cellular respiration and glucose transport amongst others. Proteomic analyses also identified scores of differentially expressed proteins.
Sign changing pairing in single layer FeSe/SrTiO3 revealed by nonmagnetic impurity bound states
Authors: Zhang Huimin , Ge Zhuozhi , Weinert Michael , Li Lian 
Published: May 2020

AbstractThe discovery of high-temperature superconductivity in single layer FeSe epitaxially grown on SrTiO3(001) substrates has instigated extensive debate over whether its pairing symmetry is conventional sign-preserving s-wave or unconventional sign-changing. Here, we probe the pairing state for single layer FeSe/SrTiO3 grown by molecular beam epitaxy using scanning tunneling microscopy/spectroscopy. We observe robust in-gap bound states induced by non-magnetic Fe-vacancy defects within the Fe-plane, which exhibit strong spatial electron-hole asymmetry with two-fold symmetry in hole states and four-fold in electron states. The bound states exhibit no energy shift or splitting under an applied magnetic field, consistent with a sign-changing order parameter. This is further confirmed by defect bound state quasiparticle interference that shows a sign-changing behavior with a pair of corresponding peaks at the positive and negative energies near the impurity bound states. Our findings provide unambiguous evidence for a sign-changing pairing symmetry for single layer FeSe/SrTiO3.
Opportunities and critical factors of porous metal–organic frameworks for industrial light olefins separation
Authors: Lan Tianhao , Li Libo , Chen Yang , Wang Xiaoqing , Yang Jiangfeng , Li Jinping 
Published: May 2020

We summarize and highlight recent advances in the realm of light olefins separation using MOFs as adsorbents, covering the progress made in improving the key features of MOFs that are necessary for their real-world applications.
What Does Language Have to Do With It? The Impact of Age and Bilingual Experience on Inhibitory Control in an Auditory Dichotic Listening Task
Authors: Desjardins Jamie L. , Bangert Ashley , Gomez Ninive 
Published: May 2020

Purpose
The purpose of the current study was to examine inhibition of irrelevant information in younger and older English monolingual and Spanish–English bilingual adults.

Method

Sixty-one participants divided into four groups: 15 younger English monolinguals, 16 younger Spanish–English bilinguals, 15 older English monolinguals, and 15 older Spanish–English bilinguals participated in this study. Younger participants were 18–25 years of age, and older participants were 47–62 years of age. Bilingual participants had learned Spanish from birth and began learning English by the age of 3 years old (
SD
= 3.1). All participants had hearing thresholds of < 25 dB HL from 250 to 4000 Hz, bilaterally (American National Standards Institute [ANSI], 2004) and were right-handed. Inhibition was measured using a forced-attention dichotic consonant vowel listening task with a prime stimulus and the Simon task, a nonverbal visual test.

Results
Younger participants were better able to inhibit the irrelevant auditory and visual stimuli and modulate their attention according to the instructions that they were given compared to the older participants. However, no significant differences in inhibition performance or attention modulation were evidenced between the monolingual and bilingual groups in any of the dichotic listening conditions or on the Simon task.

Conclusions
No significant differences in performance on an auditory or a visual test of inhibition of irrelevant information was evidenced between the monolingual and bilingual participants in this study. These findings suggest that younger and older adult, early balanced Spanish–English bilinguals may not exhibit an advantage in the inhibition of irrelevant information compared to younger and older adult English monolinguals.
Clinical Application of Spectral Modulation Detection: Speech Recognition Benefit for Combining a Cochlear Implant and Contralateral Hearing Aid
Authors: Kessler David M. , Wolfe Jace , Blanchard Michelle , Gifford René H. 
Published: May 2020

Purpose
The purpose of this study was to investigate the relationship between speech recognition benefit derived from the addition of a hearing aid (HA) to the nonimplanted ear (i.e., bimodal benefit) and spectral modulation detection (SMD) performance in the nonimplanted ear in a large clinical sample. An additional purpose was to investigate the influence of low-frequency pure-tone average (PTA) of the nonimplanted ear and age at implantation on the variance in bimodal benefit.

Method
Participants included 311 unilateral cochlear implant (CI) users who wore an HA in the nonimplanted ear. Participants completed speech recognition testing in quiet and in noise with the CI-alone and in the bimodal condition (i.e., CI and contralateral HA) and SMD in the nonimplanted ear.

Results
SMD performance in the nonimplanted ear was significantly correlated with bimodal benefit in quiet and in noise. However, this relationship was much weaker than previous reports with smaller samples. SMD, low-frequency PTA of the nonimplanted ear from 125 to 750 Hz, and age at implantation together accounted for, at most, 19.1% of the variance in bimodal benefit.

Conclusions
Taken together, SMD, low-frequency PTA, and age at implantation account for the greatest amount of variance in bimodal benefit than each variable alone. A large portion of variance (~80%) in bimodal benefit is not explained by these variables.

Supplemental Material

https://doi.org/10.23641/asha.12185493
Bilingualism and Processing Speed in Typically Developing Children and Children With Developmental Language Disorder
Authors: Park Ji Sook , Miller Carol A. , Sanjeevan Teenu , van Hell Janet G. , Weiss Daniel J. , Mainela-Arnold Elina 
Published: May 2020

Purpose
The aim of the current study was to investigate whether dual language experience modulates processing speed in typically developing (TD) children and in children with developmental language disorder (DLD). We also examined whether processing speed predicted vocabulary and sentence-level abilities in receptive and expressive modalities.

Method
We examined processing speed in monolingual and bilingual school-age children (ages 8–12 years) with and without DLD. TD children (35 monolinguals, 24 bilinguals) and children with DLD (17 monolinguals, 10 bilinguals) completed a visual choice reaction time task. The Clinical Evaluation of Language Fundamentals, the Peabody Picture Vocabulary Test, and the Expressive Vocabulary Test were used as language measures.

Results
The children with DLD exhibited slower response times relative to TD children. Response time was not modified by bilingual experience, neither in children with typical development nor children with DLD. Also, we found that faster processing speed was related to higher language abilities, but this relationship was not significant when socioeconomic status was controlled for. The magnitude of the association did not differ between the monolingual and bilingual groups across the language measures.

Conclusions
Slower processing speed is related to lower language abilities in children. Processing speed is minimally influenced by dual language experience, at least within this age range.

Supplemental Material

https://doi.org/10.23641/asha.12210311
Language and Literacy Predictors of Dialect Density Among School-Age African American Children From Two Geographic Regions
Authors: Caesar Lena G. , Kerins Marie 
Published: May 2020

Purpose
The purpose of this study was to investigate the relationship between oral language, literacy skills, age, and dialect density (DD) of African American children residing in two different geographical regions of the United States (East Coast and Midwest).

Method
Data were obtained from 64 African American school-age children between the ages of 7 and 12 years from two geographic regions. Children were assessed using a combination of standardized tests and narrative samples elicited from wordless picture books. Bivariate correlation and multiple regression analyses were used to determine relationships to and relative contributions of oral language, literacy, age, and geographic region to DD.

Results
Results of correlation analyses demonstrated a negative relationship between DD measures and children's literacy skills. Age-related findings between geographic regions indicated that the younger sample from the Midwest outscored the East Coast sample in reading comprehension and sentence complexity. Multiple regression analyses identified five variables (i.e., geographic region, age, mean length of utterance in morphemes, reading fluency, and phonological awareness) that accounted for 31% of the variance of children's DD—with geographic region emerging as the strongest predictor.

Conclusions
As in previous studies, the current study found an inverse relationship between DD and several literacy measures. Importantly, geographic region emerged as a strong predictor of DD. This finding highlights the need for a further study that goes beyond the mere description of relationships to comparing geographic regions and specifically focusing on racial composition, poverty, and school success measures through direct data collection.