bluuebunny/crossref_metadata_2025_split huggingface dataset:
Novel Sb−SnO2 Electrode with Ti3+ Self‐Doped Urchin‐Like Rutile TiO2 Nanoclusters as the Interlayer for the Effective Degradation of Dye Pollutants
Authors: Man Shuaishuai , Yin Zehao , Zhou Shanbin , Pameté Emmanuel , Xu Lei , Bao Hebin , Yang Wenjing , Mo Zhihong , Presser Volker , Li Xueming 
Published: December 2022

AbstractStable and efficient SnO2 electrodes are very promising for effectively degrading refractory organic pollutants in wastewater treatment. In this regard, we firstly prepared Ti3+ self‐doped urchin‐like rutile TiO2 nanoclusters (TiO2‐xNCs) on a Ti mesh substrate by hydrothermal and electroreduction to serve as an interlayer for the deposition of Sb−SnO2. The TiO2‐xNCs/Sb−SnO2 anode exhibited a high oxygen evolution potential (2.63 V vs. SCE) and strong ⋅OH generation ability for the enhanced amount of absorbed oxygen species. Thus, the degradation results demonstrated its good rhodamine B (RhB), methylene blue (MB), alizarin yellow R (AYR), and methyl orange (MO) removal performance, with the rate constant increased 5.0, 1.9, 1.9, and 4.7 times, respectively, compared to the control Sb−SnO2 electrode. RhB and AYR degradation mechanisms are also proposed based on the results of high‐performance liquid chromatography coupled with mass spectrometry and quenching experiments. More importantly, this unique rutile interlayer prolonged the anode lifetime sixfold, given its good lattice match with SnO2 and the three‐dimensional concave–convex structure. Consequently, this work paves a new way for designing the crystal form and structure of the interlayers to obtain efficient and stable SnO2 electrodes for addressing dye wastewater problems.
A meta‐analysis of mother–child synchrony in respiratory sinus arrhythmia and contextual risk
Authors: Miller Jonas G. , Armstrong‐Carter Emma , Balter Leah , Lorah Julie 
Published: December 2022

AbstractBiobehavioral frameworks of attachment posit that mother–child dyads engage in physiological synchrony that is uniquely formative for children's neurobiological, social, and emotional development. Much of the work on mother–child physiological synchrony has focused on respiratory sinus arrhythmia (RSA). However, the strength of the existing evidence for mother–child RSA synchrony during interaction is unclear. Using meta‐analysis, we summarized results from 12 eligible studies comprising 14 samples and 1201 children ranging from infancy to adolescence (Mage = 5.68 years, SD = 4.13, range = 0.4–17 years) and their mothers. We found that there was a statistically significant, albeit modest, positive within‐dyad association between mother and child fluctuations in RSA. There also was evidence for significant heterogeneity across studies. Less mother–child RSA synchrony was observed in high‐risk samples characterized by clinical difficulties, history of maltreatment, or socioeconomic disadvantage. We did not find that mother–child RSA synchrony significantly differed by task context, mean child age, or by epoch length for computing RSA. Collectively, these findings suggest that mother–child dyads show correspondence in their fluctuations in RSA, and that RSA synchrony is disrupted in high‐risk contexts. Future directions and implications for the study of parent–child physiological synchrony are discussed.
The relationship of social support perceived by mothers and fathers and dyadic adjustment with maternal and paternal attachment in the postpartum period
Authors: Kekeç Havva Tokgöz , Dikmen Hacer Alan 
Published: December 2022

AbstractThis descriptive, correlational, and cross‐sectional study included mothers (n = 170) and fathers (n = 173) with 6‐ to 12‐month‐old babies. A personal information form, the Multidimensional Scale of Perceived Social Support (MSPSS), the Revised Dyadic Adjustment Scale (RDAS), the Maternal Attachment Inventory (MAI), and the Postnatal Paternal–Infant Attachment Questionnaire (PPAQ) were used to gather information. Mothers’ median scores were 64 (27–84) for MSPSS, 57 (21–69) for RDAS, and 102 (92–104) for MAI. Fathers’ median scores were 53 (24–84) for MSPSS, 57 (40–69) for RDAS, and 84 (57–94) for PPAQ. In mothers, a significant, moderate, positive correlation was found between the median scores of MSPSS and RDAS (r = .521; p < .001) and MAI (r = .362; p < .001). This relationship was also the same for the RDAS and MAI median scores (r = .299; p < .001). For fathers, a significant, low‐level, positive correlation was found between median scores of MSPSS and RDAS (r = .53; p = .044) and PPAQ (r = .164; p = .031). A significant, moderate, positive correlation was also found between RDAS and PPAQ median scores (r = .468; p < .001). This study found that baby attachment increases with increasing social support for mothers and fathers and dyadic adjustment. In postnatal follow‐ups, women's health nurses and midwives should assess the social support, dyadic adjustment, and attachment levels of mothers and fathers.
Driving license regranting: Hair EtG, serum CDT, and the role of sociodemographic and medicolegal variables
Authors: Cinquetti Alessandro , Terranova Claudio , Aprile Anna , Favretto Donata 
Published: December 2022

AbstractDriving under the influence (DUI) of alcohol is a road safety problem. Driving license regranting is based on the evaluation of medicolegal and toxicological variables that may include serum carbohydrate‐deficient transferrin (CDT) and hair ethyl glucuronide (hEtG).The aim of the study was to compare the diagnostic performance of CDT and hEtG in a population of DUI offenders. Other factors potentially associated with heavy alcohol use were explored. The population included DUI offenders examined during the period of January 1, 2019, through June 30, 2022. Sociodemographic, medicolegal, and toxicological variables were collected. CDT in serum and EtG in head hair were determined in all subjects. Excessive alcohol intake (hEtG ≥30 pg/mg) was considered cause for unfitness to drive. Cohen's kappa coefficient was calculated. Descriptive analyses were performed using chi‐square and Mann–Whitney tests. Variables significantly different between the groups were included in a multivariate binary logistic regression model. The sample encompassed 838 subjects (case group: 179, comparison group: 689). CDT exhibited poor agreement (κ = 0.053) with hEtG as the reference test. Lower education, age at DUI, heavy smoking, and GGT levels associated with heavy alcohol consumption differentiated the two groups. For DUI offenders, the use of CDT to assess heavy alcohol consumption is limited, possibly due to the time‐window assessed, the time required for normalization, and the different amount of ethanol needed to reach higher CDT levels, in comparison to hEtG; thus, hEtG assessment is strongly recommended for this population. Heavy smoking, GGT, education, and age could be related to heavy alcohol consumption and higher risk of DUI.
Time‐calibrated phylogeny and ecological niche models indicate Pliocene aridification drove intraspecific diversification of brushtail possums in Australia
Authors: Carmelet‐Rescan David , Morgan‐Richards Mary , Pattabiraman Nimeshika , Trewick Steven A. 
Published: December 2022

AbstractMajor aridification events in Australia during the Pliocene may have had significant impact on the distribution and structure of widespread species. To explore the potential impact of Pliocene and Pleistocene climate oscillations, we estimated the timing of population fragmentation and past connectivity of the currently isolated but morphologically similar subspecies of the widespread brushtail possum (Trichosurus vulpecula). We use ecological niche modeling (ENM) with the current fragmented distribution of brushtail possums to estimate the environmental envelope of this marsupial. We projected the ENM on models of past climatic conditions in Australia to infer the potential distribution of brushtail possums over 6 million years. D‐loop haplotypes were used to describe population structure. From shotgun sequencing, we assembled whole mitochondrial DNA genomes and estimated the timing of intraspecific divergence. Our projections of ENMs suggest current possum populations were unlikely to have been in contact during the Pleistocene. Although lowered sea level during glacial periods enabled connection with habitat in Tasmania, climate fluctuation during this time would not have facilitated gene flow over much of Australia. The most recent common ancestor of sampled intraspecific diversity dates to the early Pliocene when continental aridification caused significant changes to Australian ecology and Trichosurus vulpecula distribution was likely fragmented. Phylogenetic analysis revealed that the subspecies T. v. hypoleucus (koomal; southwest), T. v. arnhemensis (langkurr; north), and T. v. vulpecula (bilda; southeast) correspond to distinct mitochondrial lineages. Despite little phenotypic differentiation, Trichosurus vulpecula populations probably experienced little gene flow with one another since the Pliocene, supporting the recognition of several subspecies and explaining their adaptations to the regional plant assemblages on which they feed.
Effects of dry spells on soil moisture and yield anomalies at a montane managed grassland site: A lysimeter climate experiment
Authors: Forstner Veronika , Vremec Matevž , Herndl Markus , Birk Steffen 
Published: December 2022

AbstractThe frequency and severity of droughts in the Alps are expected to increase due to rising air temperatures and changes in precipitation regimes. Although biomass production in humid mountain areas tends to be energy limited rather than water limited, an increase in droughts may have negative impacts on the water availability and thus agricultural yields. This study aimed to analyse the impacts of dry spells on soil moisture and yield anomalies at a montane permanent grassland site in Austria. Dry spells in the time period from 2018 to 2020 were identified using the Standardized Precipitation Index, Palmer Drought Severity Index and the Soil Moisture Anomaly Index. Data from a lysimeter climate experiment were used to evaluate drought impacts on soil water storage and grassland yield under ambient and manipulated conditions. The results indicated the occurrence of three extreme droughts between 2018 and 2020. Although the studied grassland is generally considered a nonwater‐limited ecosystem, the most extreme drought in summer 2019 caused severe and extreme yield anomalies under ambient and heated conditions. Only mild yield anomalies were observed on plots with elevated atmospheric carbon dioxide concentration. This drought‐mitigating effect was attributed to the water savings enabled by partial stomatal closure under elevated CO2. The shorter dry spells in spring and late summer 2018 led to more diverse effects; mildly to moderately negative yield anomalies were found on the heated plots, whereas the anomalies tended to be less negative or even positive on plots under ambient temperature. In contrast, some time periods without water stress showed positive effects of heating on yield. These findings suggest that drought impacts on a humid montane grassland depend on both water availability and air temperature. Higher air temperature can have positive effects on yield if the ecosystem is energy limited. However, global warming suggests a tendency from energy to water limitation, in which the increased evaporative demand of the atmosphere aggravates soil moisture droughts and thus has potentially negative effects on yield.
Total Synthesis of a Pentasaccharide O‐Glycan from Acinetobacter baumannii
Authors: Njeri Dancan K. , Ragains Justin R. 
Published: December 2022

AbstractAcinetobacter baumannii is a Gram‐negative bacteria associated with drug resistance and infection in healthcare settings. An understanding of both the biological roles and antigenicity of surface molecules of this organism may provide an important step in the prevention and treatment of infection through vaccination or the development of monoclonal antibodies. With this in mind, we have performed the multistep synthesis of a conjugation‐ready pentasaccharide O‐glycan from A. baumannii with a longest linear synthetic sequence of 19 steps. This target is particularly relevant due to its role in both fitness and virulence across an apparently broad range of clinically relevant strains. Synthetic challenges include formulating an effective protecting group strategy as well as the installation of a particularly difficult glycosidic linkage between the anomeric position of a 2,3‐diacetamido‐2,3‐dideoxy‐D‐glucuronic acid and the 4‐position of D‐galactose.
Synthesis of 2‐Arylpyrimido[4,5‐b]porphyrins via Cyclization Reaction with Ammonia
Authors: Singh Abhijeet , Singh Jagmeet , Nath Mahendra 
Published: December 2022

AbstractA facile synthetic strategy for the synthesis of a new series of β,β’‐fused 2‐arylpyrimido[4,5‐b]porphyrins has been developed by using condensation cyclization reaction with ammonia. 2‐Aroylamino‐3‐formylporphyrins were synthesized from 2‐aroylaminoporphyrins under Vilsmeier–Haack reaction conditions, which were then efficiently converted to the corresponding 2‐arylpyrimido[4,5‐b]‐5,10,15,20‐tetrakis(4‐chlorophenyl)‐porphyrins via a condensation cyclization reaction. The nickel(II), copper(II), free‐base and zinc(II) analogues of 2‐arylpyrimido[4,5‐b]porphyrins were successfully synthesized in 65–72 % yields and structurally characterized on the basis of spectral data analysis. On photophysical evaluation, 2‐arylpyrimido[4,5‐b]porphyrins demonstrated a 12–19 nm bathochromic shift in their electronic absorption spectra and up to 10 nm red shift in their emission spectra as compared to the simple meso‐(tetrakis(4‐chlorophenyl))porphyrins due to the extended π‐conjugation.
From Protein Sequence to Structure: The Next Frontier in Cross-Species Extrapolation for Chemical Safety Evaluations
Authors: LaLone Carlie A. , Blatz Donovan J. , Jensen Marissa A. , Vliet Sara M. F. , Mayasich Sally , Mattingly Kali Z. , Transue Thomas R. , Melendez Wilson , Wilkinson Audrey , Simmons Cody W. , Ng Carla , Zhang Chengxin , Zhang Yang 
Published: December 2022

Abstract
Computational screening for potentially bioactive molecules using advanced molecular modeling approaches including molecular docking and molecular dynamic simulation is mainstream in certain fields like drug discovery. Significant advances in computationally predicting protein structures from sequence information have also expanded the availability of structures for nonmodel species. Therefore, the objective of the present study was to develop an analysis pipeline to harness the power of these bioinformatics approaches for cross-species extrapolation for evaluating chemical safety. The Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) tool compares protein-sequence similarity across species for conservation of known chemical targets, providing an initial line of evidence for extrapolation of toxicity knowledge. However, with the development of structural models from tools like the Iterative Threading ASSEmbly Refinement (ITASSER), analyses of protein structural conservation can be included to add further lines of evidence and generate protein models across species. Models generated through such a pipeline could then be used for advanced molecular modeling approaches in the context of species extrapolation. Two case examples illustrating this pipeline from SeqAPASS sequences to I-TASSER-generated protein structures were created for human liver fatty acid–binding protein (LFABP) and androgen receptor (AR). Ninety-nine LFABP and 268 AR protein models representing diverse species were generated and analyzed for conservation using template modeling (TM)-align. The results from the structural comparisons were in line with the sequence-based SeqAPASS workflow, adding further evidence of LFABL and AR conservation across vertebrate species. The present study lays the foundation for expanding the capabilities of the web-based SeqAPASS tool to include structural comparisons for species extrapolation, facilitating more rapid and efficient toxicological assessments among species with limited or no existing toxicity data. Environ Toxicol Chem 2023;42:463–474. © 2022 SETAC. This article has been contributed to by U.S. Government employees and their work is in the public domain in the USA.
The Importance of Fostering and Funding Scientific Research, and its Relevance to Environmental Toxicology and Chemistry
Authors: Sesin Verena , Judy Jonathan D. , Kapustka Larry , Opeolu Beatrice , Ottinger Mary A. , Bertsch Paul M. , Wang Ying , Lazorchak James , Smythe Tristan A. , Stahl Ralph G. 
Published: December 2022

Abstract
What do environmental contaminants and climate change have in common with the virus SARS-CoV-2 and the disease COVID-19? We argue that one common element is the wealth of basic and applied scientific research that provides the knowledge and tools essential in developing effective programs for addressing threats to humans and social-ecological systems. Research on various chemicals, including dichlorodiphenyltrichloroethane and per- and polyfluoroalkyl substances, resulted in regulatory action to protect environmental and human health. Moreover, decades of research on coronaviruses, mRNA, and recently SARS-CoV-2 enabled the rapid development of vaccines to fight the COVID-19 pandemic. In the present study, we explore the common elements of basic and applied scientific research breakthroughs that link chemicals, climate change, and SARS-CoV-2/COVID-19 and describe how scientific information was applied for protecting human health and, more broadly, socio-ecological systems. We also offer a cautionary note on the misuse and mistrust of science that is not new in human history, but unfortunately is surging in modern times. Our goal was to illustrate the critical role of scientific research to society, and we argue that research must be intentionally fostered, better funded, and applied appropriately. To that end, we offer evidence that supports the importance of investing in scientific research and, where needed, ways to counter the spread of misinformation and disinformation that undermines legitimate discourse. Environ Toxicol Chem 2023;42:581–593. © 2022 SETAC
A framework for prioritizing contaminants in retrospective ecological assessments: Application in the Milwaukee Estuary (Milwaukee, WI)
Authors: Maloney Erin M. , Villeneuve Daniel L. , Blackwell Brett R. , Vitense Kelsey , Corsi Steven R. , Pronschinske Matthew A. , Jensen Kathleen M. , Ankley Gerald T. 
Published: December 2022

Abstract
Watersheds are subjected to diverse anthropogenic inputs, exposing aquatic biota to a wide range of chemicals. Detection of multiple, different chemicals can challenge natural resource managers who often have to determine where to allocate potentially limited resources. Here, we describe a weight-of-evidence framework for retrospectively prioritizing aquatic contaminants. To demonstrate framework utility, we used data from 96-h caged fish studies to prioritize chemicals detected in the Milwaukee Estuary (WI, USA; 2017–2018). Across study years, 77/178 targeted chemicals were detected. Chemicals were assigned prioritization scores based on spatial and temporal detection frequency, environmental distribution, environmental fate, ecotoxicological potential, and effect prediction. Chemicals were sorted into priority bins based on the intersection of prioritization score and data availability. Data-limited chemicals represented those that did not have sufficient data to adequately evaluate ecotoxicological potential or environmental fate. Seven compounds (fluoranthene, benzo[a]pyrene, pyrene, atrazine, metolachlor, phenanthrene, and DEET) were identified as high or medium priority and data sufficient and flagged as candidates for further effects-based monitoring studies. Twenty-one compounds were identified as high or medium priority and data limited and flagged as candidates for further ecotoxicological research. Fifteen chemicals were flagged as the lowest priority in the watershed. One of these chemicals (2-methylnaphthalene) displayed no data limitations and was flagged as a definitively low-priority chemical. The remaining chemicals displayed some data limitations and were considered lower-priority compounds (contingent on further ecotoxicological and environmental fate assessments). The remaining 34 compounds were flagged as low or medium priority. Altogether, this prioritization provided a screening-level (non-definitive) assessment that could be used to focus further resource management and risk assessment activities in the Milwaukee Estuary. Furthermore, by providing detailed methodology and a practical example with real experimental data, we demonstrated that the proposed framework represents a transparent and adaptable approach for prioritizing contaminants in freshwater environments. Integr Environ Assess Manag 2023;19:1276–1296. © 2022 SETAC
Noninvasive detection of brain gliomas using plasma cell‐free DNA 5‐hydroxymethylcytosine sequencing
Authors: Zhang Shuxin , Zhang Jun , Hu Xinlei , Yin Senlin , Yuan Yunbo , Xia Lin , Cao Feng , Yan Xiaoqin , Yan Ziyue , Mao Qing , Xie Dan , Liu Yanhui 
Published: December 2022

AbstractLiquid biopsy techniques based on deep sequencing of plasma cell‐free DNA (cfDNA) could detect the low‐frequency somatic mutations and provide an accurate diagnosis for many cancers. However, for brain gliomas, reliable performance of these techniques currently requires obtaining cfDNA from patients' cerebral spinal fluid, which is cumbersome and risky. Here we report a liquid biopsy method based on sequencing of plasma cfDNA fragments carrying 5‐hydroxymethylcytosine (5hmC) using selective chemical labeling (hMe‐Seal). We first constructed a dataset including 180 glioma patients and 229 non‐glioma controls. We found marked concordance between cfDNA hydroxymethylome and the aberrant transcriptome of the underlying gliomas. Functional analysis also revealed overrepresentation of the differentially hydroxymethylated genes (DhmGs) in oncogenic and neural pathways. After splitting our dataset into training and test cohort, we showed that a penalized logistic model constructed with training set DhmGs could distinguish glioma patients from healthy controls in both our test set (AUC = 0.962) and an independent dataset (AUC = 0.930) consisting of 111 gliomas and 111 controls. Additionally, the DhmGs between gliomas with mutant and wild‐type isocitrate dehydrogenase (IDH) could be used to train a cfDNA predictor of the IDH mutation status of the underlying tumor (AUC = 0.816), and patients with predicted IDH mutant gliomas had significantly better outcome (P = .01). These results indicate that our plasma cfDNA 5hmC sequencing method could obtain glioma‐specific signals, which may be used to noninvasively detect these patients and predict the aggressiveness of their tumors.