bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Photo‐ and Redox‐Driven Two‐Directional Terthiazole‐Based Switch: A Combined Experimental and Computational Investigation
Authors: Baggi Nicolò , Léaustic Anne , Groni Sihem , Anxolabéhère‐Mallart Elodie , Guillot Régis , Métivier Rémi , Maurel François , Yu Pei 
Published: July 2021

AbstractTerthiazoles with redox‐active substituents like an N‐methyl pyridinium group and ferrocene have been synthesized and their photo‐ and electro‐chromic behaviors were investigated. The presence of two lateral N‐methyl pyridinium substituents in the structure of terthiazole proved to be effective in inducing not only the reductive ring‐closure of the terthiazole core but also its oxidative ring‐opening reaction, leading to the first terarylene‐based switch able to fully operate both photochemically and electrochemically. Moreover, the large increase in the redox potential between its open and closed form (700 mV) means that a part of the photon energy necessary to trigger the cyclization is stored in the form of chemical potential available for other works. Introduction of a second redox‐active unit such as ferrocene onto the central thiazolyl moiety is found to inhibit the photochromism of the switch but not its redox switchability, which, instead, got improved for the ring‐opening reaction via the redox properties of the ferrocenyl unit. The optical and redox properties of the switch in its different oxidation states are analyzed with the aid of DFT calculations in order to rationalize different switching processes.
Stereoselective synthesis of (−)‐cytoxazone and its unnatural congener (+)‐5‐epi‐cytoxazone
Authors: Miranda Izabel Luzia , dos Santos Pedro Henrique Costa , Kohlhoff Markus , Purgato Gislaine Aparecida , Diaz Marisa Alves Nogueira , Diaz‐Muñoz Gaspar 
Published: July 2021

AbstractAn interesting protocol for stereoselective synthesis of (−)‐cytoxazone and its unnatural stereoisomer (+)‐5‐epi‐cytoxazone from d‐4‐hydroxyphenylglycine in overall yields of 10% and 16%, respectively, is described. The stereoselective addition of cyanide to an N‐Boc protected aminoaldehyde (tert‐butyl ((R)‐1‐(4‐methoxyphenyl)‐2‐oxoethyl)carbamate) (5) constitutes the key step in this approach, producing a mixture of cyanohydrins 6a and b (1,2‐anti and 1,2‐syn tert‐butyl (2‐cyano‐2‐hydroxy‐1‐(4‐methoxyphenyl)ethyl)carbamate) in 89% yield, with reasonable stereoselectivity (1.0:1.8) in favor of the anti‐Felkin product (1,2‐syn). A one‐pot sequence of three successive steps from this mixture produced the oxazolidinone isomers 9a and b ((4R,5R)‐ and (4R,5S)‐4‐(4‐methoxyphenyl)‐2‐oxooxazolidine‐5‐carboxylate). Chromatographic column separation and reduction of the ester function of both precursors led to (−)‐cytoxazone and (+)‐5‐epi‐cytoxazone.
More than just acral melanoma: the controversies of defining the disease
Authors: Bernardes Sara S , Ferreira Ingrid , Elder David E , Nobre Aretha B , Martínez‐Said Héctor , Adams David J , Robles‐Espinoza Carla Daniela , Possik Patricia A 
Published: July 2021

AbstractAcral melanoma (AM) is a malignant cutaneous melanocytic tumour specifically located on the palms, soles, and nail apparatus, which are areas of glabrous (hairless) skin. Acral lentiginous melanoma, a subtype of AM, represents a histopathological subtype diagnosis of cutaneous melanoma with unique morphological and structural features. Despite clear definitions, the misuse of these terms and the inconsistency in reporting the histopathological features of AM cases have become a major obstacle to the study of the disease. In this review, we discuss the epidemiology, histopathological features, prognosis, and genetic profile of AM, highlighting the differences observed when histopathological subtypes are considered. The increasing global effort to characterise AM cases from ethnically diverse populations would benefit greatly from a more consistent classification of the disease.
Validating the Patient‐Reported Outcomes Measurement Information System Short Form v1.0–Anxiety 8a in a sample of young adult cancer survivors: Comparison with a structured clinical diagnostic interview
Authors: Recklitis Christopher J. , Blackmon Jaime E. , Chevalier Lydia L. , Chang Grace 
Published: July 2021

BackgroundThe objective of this study was to validate the Patient‐Reported Outcomes Measurement Information System Short Form v1.0–Anxiety 8a (PROMIS‐A‐SF) against a structured diagnostic interview in order to determine its accuracy and the most appropriate cutoff score for identifying anxiety disorders in young adult cancer survivors (YACSs).MethodsTwo hundred forty‐nine YACSs aged 18 to 40 years (50% male) completed the PROMIS‐A‐SF and the Structured Clinical Interview for the Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition (SCID). The SCID was used to determine whether participants met the criteria for an anxiety diagnosis. Receiving operator characteristic analyses were performed to determine the concordance of the PROMIS‐A‐SF and the SCID as well as cutoff scores with sensitivity (≥0.85) and specificity (≥0.75) appropriate for an anxiety screening measure.ResultsThe PROMIS‐A‐SF was determined to have good overall discrimination in comparison with the SCID (area under the curve, 0.84). A PROMIS‐A‐SF t‐score cutoff ≥ 53.2 (total predictive value, 67.9%) came closest to meeting the study criteria with a sensitivity of 88%, but the specificity was only 65%. In a hypothetical screening example, this cutoff led to moderate levels of missed cases (14%) and a significant proportion of clinical referrals that were unnecessary by SCID criteria (35%). Of the survivors referred for services according to these criteria, less than one‐third (29%) would have a SCID anxiety diagnosis.ConclusionsThe PROMIS‐A‐SF demonstrated moderately strong concordance with anxiety disorders measured by the SCID, but cutoff scores did not meet study criteria for clinical screening. Although it may not be appropriate as a standalone screener, the PROMIS‐A‐SF may be useful for assessing anxiety in YACSs when it is incorporated into clinical practice or when it is combined with other measures.
Simple Accurate Verification of Enthalpy‐Entropy Compensation and Isoequilibrium Relationship
Authors: Griessen Ronald , Dam Bernard 
Published: July 2021

AbstractIn many experimental investigations of thermodynamic equilibrium or kinetic properties of series of similar reactions it is found that the enthalpies and entropies derived from Van ′t Hoff or Arrhenius plots exhibit a strong linear correlation. The origin of this Enthalpy‐Entropy compensation, which is strongly related to the coalescence tendency of Van ′t Hoff or Arrhenius plots, is not necessarily due to a physical/chemical/biological process. It can also be a merely statistical artefact. A new method, called Combined K‐CQF makes it possible both to quantify the degree of coalescence of experimental Van ‘t Hoff lines and to verify whether or not the Enthalpy‐Entropy Compensation is of a statistical origin at a desired confidence level. The method is universal and can handle data sets with any degree of coalescence of Van ‘t Hoff (or Arrhenius) plots. The new method requires only a standard least square fit of the enthalpyΔH versus entropy ΔS plot to determine the two essential dimensionless parameters K and CQF. The parameter K indicates the position (in inverse temperature) of the coalescence region of Van ‘t Hoff plots and CQF is a quantitative measure of the smallest spread of the Van ‘t Hoff plots. The position of the (K, CQF) couple with respect to universal confidence contours determined from a large number of simulations of random Van ‘t Hoff plots indicates straightforwardly whether or not the ΔH‐ΔS compensation is a statistical artefact.
Protection against neonatal respiratory viral infection via maternal treatment during pregnancy with the benign immune training agent OM‐85
Authors: Lauzon‐Joset Jean‐Francois , Mincham Kyle T , Scott Naomi M , Khandan Yasmine , Stumbles Philip A , Holt Patrick G , Strickland Deborah H 
Published: July 2021

AbstractObjectivesIncomplete maturation of immune regulatory functions at birth is antecedent to the heightened risk for severe respiratory infections during infancy. Our forerunner animal model studies demonstrated that maternal treatment with the microbial‐derived immune training agent OM‐85 during pregnancy promotes accelerated postnatal maturation of mechanisms that regulate inflammatory processes in the offspring airways. Here, we aimed to provide proof of concept for a novel solution to reduce the burden and potential long‐term sequelae of severe early‐life respiratory viral infection through maternal oral treatment during pregnancy with OM‐85, already in widespread human clinical use.MethodsIn this study, we performed flow cytometry and targeted gene expression (RT‐qPCR) analysis on lungs from neonatal offspring whose mothers received oral OM‐85 treatment during pregnancy. We next determined whether neonatal offspring from OM‐85 treated mothers demonstrate enhanced protection against lethal lower respiratory infection with mouse‐adapted rhinovirus (vMC0), and associated lung immune changes.ResultsOffspring from mothers treated with OM‐85 during pregnancy display accelerated postnatal seeding of lung myeloid populations demonstrating upregulation of function‐associated markers. Offspring from OM‐85 mothers additionally exhibit enhanced expression of TLR4/7 and the IL‐1β/NLRP3 inflammasome complex within the lung. These treatment effects were associated with enhanced capacity to clear an otherwise lethal respiratory viral infection during the neonatal period, with concomitant regulation of viral‐induced IFN response intensity.ConclusionThese results demonstrate that maternal OM‐85 treatment protects offspring against lethal neonatal respiratory viral infection by accelerating development of innate immune mechanisms crucial for maintenance of local immune homeostasis in the face of pathogen challenge.
Analytical outage and coverage performance analysis of cell‐free massive MIMO system based on radio stripe
Authors: Mishra Aman Kumar , Ponnusamy Vijayakumar 
Published: July 2021

SummaryCell‐free mMIMO (massive multiple input multiple output) is slated to be beyond 5G (B5G) wireless technology, given the attractive features it offers, higher spectral efficiency, higher‐energy efficiency, and superior spatial diversity. However, large numbers of long cables between each access point (AP) and central processing unit (CPU) (front haul requirements) mar its practical adoption. Radio stripe is one such architecture of cell‐free mMIMO suitable for practical deployment. In this work, we derive the closed‐form expression of probability of outage in the uplink of Cell‐Free mMIMO System Based on Radio Stripe (CFMMSBRS) and coverage probability in the downlink of CFMMSBRS, respectively. We employ, Welch–Satterthwaite approximation for accurate approximation of sum of independent gamma random variables with different shape and rate parameter. Results indicate that both outage and coverage achieved good performance especially when numbers of APs L in radio stripe network are greater than numbers of user equipments (UEs) K in the network.
TSPAN1 silencing protects against cerulein‐induced pancreatic acinar cell injury via targeting AGR2
Authors: Wang Jing , Huang Jing , Huang Lili 
Published: July 2021

AbstractAcute pancreatitis (AP) is an inflammatory gastrointestinal disorder affecting the pancreas. Previous study reported that tetraspanin 1 (TSPAN1) expression was significantly upregulated in the pancreas of AP patients. However, the underlying molecular mechanism of TSPAN1 in the pathogenesis of AP remains unclear. Thus, the aim of the present study was to investigate the potential role of TSPAN1 in development of AP. RT‐qPCR was carried out to quantify the relative mRNA levels of TSPAN1 and anterior gradient‐2 (AGR2). The CCK‐8 assay was used to detect the cell viability. The TUNEL assay was performed to visualize the apoptotic cells. Western blot was performed to determine the expressions of proteins related to endoplasmic reticulum (ER) stress and apoptosis. ELISA kits were adopted to detect the concentration of inflammatory cytokines including TNF‐α and IL‐6. Finally, immunoprecipitation (IP) was used to verify the interaction between TSPAN1 and AGR2. TSPAN1 was upregulated in serum of AP patients and AP cell models. TSPAN1 silencing promoted the cell proliferation and inhibited inflammatory response in cerulein‐induced AR42J cells. Moreover, TSPAN1 induced endoplasmic reticulum stress by binding AGR2. Interestingly, the overexpression of AGR2 abolished the effects of TSPAN1 silencing on cell proliferation and inflammatory response in cerulein‐induced AR42J cells. In summary, TSPAN1 silencing protects against cerulein‐induced pancreatic acinar cell injury through inhibiting ER stress‐mediated by AGR2. Hence, TSPAN1 may serve as a promising therapeutic target for AP treatment.
Neurophysiological patterns associated with blunted emotional face processing and withdrawal tendencies in young children exposed to intimate partner violence
Authors: Goldstein Brandon L. , Grasso Damion J. , McCarthy Kimberly J. , DiVietro Susie , Briggs‐Gowan Margaret J. 
Published: July 2021

AbstractStudies linking child maltreatment to abnormal neurophysiological responses to emotional stimuli and mental health impairment have not specifically explored these patterns in young children exposed to intimate partner violence (IPV). The present study examined two neurophysiological indicators, resting‐state electroencephalography and an emotion event‐related potential (ERP) in 21 IPV exposed and 30 nonexposed children ages 4–6 years recruited from the community and domestic violence shelters. Frontal alpha asymmetry (FAA) was assessed while at rest. FAA is often associated with avoidant/withdrawn behavior and increased risk of IPV‐related mental health conditions (e.g., depression). Additionally, the late positive potential (LPP) ERP component, reflecting motivated attention, was acquired in the context of an age‐appropriate affective oddball paradigm with low probability animal pictures as targets and human facial expressions (angry, happy, neutral) as distracters. Results demonstrated that IPV‐exposed children, compared with nonexposed children, exhibited lower left FAA during resting state and reduced LPPs to oddball targets and affective faces relative to neutral faces in the oddball task. Together, these results suggest neural patterns associated with a blunted response to emotional stimuli and withdrawal tendencies, respectively, in young children exposed to IPV. Implications for emotional socialization in this vulnerable population are discussed.
One brick at a time: Building a developmental profile of spatial abilities
Authors: Aguilar Ramirez Daniela E. , Blinch Jarrod , Gonzalez Claudia L.R. 
Published: July 2021

AbstractSpatial abilities are not only fundamental for activities of daily living, but they are also markers of academic and professional success. It has remained a challenge, however, to understand their development across childhood and adolescence, partly because of the lack of spatial tasks that are appropriate across age groups. For example, the well‐established paper‐based mental rotation test (MRT) has been shown to be too difficult for children. In the current study, we tested girls and boys in three age groups: younger children (5–8‐years‐old), older children (9–12), and adolescents (13–17) on a hands‐on visuospatial task using toy bricks: the brick‐building task (BBT). Children completed a low‐ and a high‐mental rotation demand (LMR and HMR) version of the BBT and the paper‐based MRT. Correlations were found between all tasks. Children, especially females, found the HMR more challenging than the LMR condition, but all children successfully completed the BBT. In contrast, the MRT was too difficult for the younger children to solve performing at chance. Given this result and that the BBT is a game‐like, 3D, interactive task, the BBT could be used to examine the biological and/or environmental factors that affect the early development of visuospatial abilities.
Developing Biopsychosocial Research on Maternal Mental Health in Malawi: Community Perspectives and Concerns
Authors: Manda‐Taylor Lucinda , Umar Eric , Stewart Robert C. , Kufankomwe Macdonald , Chorwe‐Sungani Genesis , Mwale Owen C. , Kokota Demoubly , Nyirenda Joyce , Kulisewa Kazione , Pickersgill Martyn 
Published: July 2021

AbstractInterest in maternal mental health research is growing around the world. Maternal mental health research studies in Malawi have, for instance, sought to determine and establish the incidence and prevalence of depression and anxiety in pregnant people and the factors that contribute to experiences of these states. This article reports stakeholder perspectives on potential community concerns with biopsychosocial mental health research (which might include collecting blood samples) in Malawi. These perspectives were generated through a town hall event that featured five focus group discussions with various participants. In this article, we reflect on key themes from these discussions, demonstrating the endurance of long‐standing concerns and practices around autonomy, consent, and the drawing of blood. We conclude by arguing that, while maternal mental health research conducted in Malawi could benefit Malawian women and children, consultation with community stakeholders is necessary to inform whether and how such research should be conducted.
Plotting receiver operating characteristic and precision–recall curves from presence and background data
Authors: Li Wenkai , Guo Qinghua 
Published: July 2021

Abstract

The receiver operating characteristic (ROC) and precision–recall (PR) plots have been widely used to evaluate the performance of species distribution models. Plotting the ROC/PR curves requires a traditional test set with both presence and absence data (namely PA approach), but species absence data are usually not available in reality. Plotting the ROC/PR curves from presence‐only data while treating background data as pseudo absence data (namely PO approach) may provide misleading results.

In this study, we propose a new approach to calibrate the ROC/PR curves from presence and background data with user‐provided information on a constant c, namely PB approach. Here, c defines the probability that species occurrence is detected (labeled), and an estimate of c can also be derived from the PB‐based ROC/PR plots given that a model with good ability of discrimination is available. We used five virtual species and a real aerial photography to test the effectiveness of the proposed PB‐based ROC/PR plots. Different models (or classifiers) were trained from presence and background data with various sample sizes. The ROC/PR curves plotted by PA approach were used to benchmark the curves plotted by PO and PB approaches.

Experimental results show that the curves and areas under curves by PB approach are more similar to that by PA approach as compared with PO approach. The PB‐based ROC/PR plots also provide highly accurate estimations of c in our experiment.

We conclude that the proposed PB‐based ROC/PR plots can provide valuable complements to the existing model assessment methods, and they also provide an additional way to estimate the constant c (or species prevalence) from presence and background data.
Climatic‐niche evolution with key morphological innovations across clades within Scutiger boulengeri (Anura: Megophryidae)
Authors: Lin Xiuqin , Shih Chungkun , Hou Yinmeng , Shu Xiaoxiao , Zhang Meihua , Hu Junhua , Jiang Jianping , Xie Feng 
Published: July 2021

AbstractThe studies of climatic‐niche shifts over evolutionary time accompanied by key morphological innovations have attracted the interest of many researchers recently. We applied ecological niche models (ENMs), ordination method (environment principal component analyses; PCA‐env), combined phylogenetic comparative methods (PCMs), and phylogenetic generalized least squares (PGLS) regression methods to analyze the realized niche dynamics and correspondingly key morphological innovations across clades within Scutiger boulengeri throughout their distributions in Qinghai–Tibet Plateau (QTP) margins of China. Our results show there are six clades in S. boulengeri and obvious niche divergences caused by niche expansion in three clades. Moreover, in our system, niche expansion is more popular than niche unfilling into novel environmental conditions. Annual mean temperature, annual precipitation, and precipitation of driest month may contribute to such a shift. In addition, we identified several key climatic factors and morphological traits that tend to be associated with niche expansion in S. boulengeri clades correspondingly. We found phenotypic plasticity [i.e., length of lower arm and hand (LAHL), hind‐limb length (HLL), and foot length (FL)] and evolutionary changes [i.e., snout–vent length (SVL)] may together contribute to niche expansion toward adapting novel niche, which provides us a potential pattern of how a colonizing toad might seed a novel habitat to begin the process of speciation and finally adaptive radiation. For these reasons, persistent phylogeographic divisions and accompanying divergences in niche occupancy and morphological adaption suggest that for future studies, distinct genetic structure and morphological changes corresponding to each genetic clade should be included in modeling niche evolution dynamics, but not just constructed at the species level.
Temporal and spatial variation in bacterial communities on uniform substrates in non‐wadeable rivers
Authors: Wood Susanna A. , Biessy Laura , Pingram Michael A. , Hamer Mark P. , Wagenhoff Annika , Clapcott Joanne , Pearman John K. 
Published: July 2021

AbstractUndertaking environmental assessments on non‐wadeable rivers is challenging due to their size, depth, and water velocity. The cotton strip assay (CSA) is a functional indicator used in assessing the ecological health of non‐wadeable rivers by measuring cellulose decomposition potential. Enhancing knowledge on the microbial communities responsible for decomposition would assist in developing a microbial‐based biotic index that could complement the CSA. The aims of this study were to explore the temporal and spatial variability of bacterial communities on cotton strips, identify environmental drivers of differences, and detect potential indicator taxa. Cotton strips were deployed at 12 sites, spanning a range of water quality and catchment land uses in three separate months. Each site was placed into an ecological health category (EHC) from A (healthy) to D (poor). Metabarcoding (16S rRNA) was used to characterize bacterial communities. There was a significant interaction between month and site and between month and EHC. Higher temperatures and pH were identified as key drivers of differences in bacterial communities in February (summer) and higher levels of ammoniacal nitrogen, nitrate/nitrite nitrogen, and turbidity in August (winter). After removal of amplicon sequence variants (ASVs) in low abundance, 27 taxa indicative of EHCs were identified. ASVs associated with EHC‐A were generally negatively correlated with modified land use and nitrate/nitrite nitrogen. In contrast, ASVs associated with EHC‐D were positively correlated to modified land use and temperature. With further validation, a molecular microbial index could be developed to aid in assessing the health of non‐wadeable rivers.