bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, characterization, biological evaluation, and molecular docking approach of nickel (II) complexes containing O, N‐donor chelation pattern of sulfonamide‐based Schiff bases
Authors: Ramadan Ahmed M. , Bayoumi Hoda A. , Elsamra Rehab M. I. 
Published: August 2021

AbstractA series of Schiff bases (L1–L4) that possess in their structure bioactive sulfonamide group and their nickel (II) complexes have been synthesized. Microanalytical analyses, various spectroscopic methods such as Fourier transform infrared spectroscopy (FT‐IR), 1H nuclear magnetic resonance (NMR), 13C NMR, UV–Vis, and MS, are used to explore the nature of bonding and to elucidate the chemical structures. The analytical and magnetic values suggest a range of stoichiometries 1:1, 1:2, and 2:1 (M:L) for the synthesized complexes of almost square planar geometry. The spectral comparative interpretation reveals that L1 and L2 coordinate to the central Ni (II) in tetradentate ONON donor sequence, whereas L3 and L4 in bidentate ON pattern through deprotonated phenolic‐O and the azomethine‐N. Density functional theory (DFT) and MOE‐docking approaches are used to evaluate the molecular parameters and the binding propensity of the synthesized ligands and their complexes with 3s7s protein and to signify their inhibition strength. Besides, the anticancer, antimicrobial and antifungal activities have been screened against number of tumor cells and human pathogen strains. These in vitro studies reveal that Schiff base L4 and its complex, [Ni(L4‐H)(OAc)(H2O)], have superior activities reflecting the importance of inserting bioactive pendant substituents such as thiazole ring and 3‐fluorophenylazo to the pharmacophoric sulfonamide moiety. Moreover, some of the synthesized Ni (II) complexes display promising therapeutic effects as novel non‐platinum antitumor agents after further preclinical investigations.
Tailoring the softness performance of polyethylene/polypropylene micro‐nanofibrous fabrics for skin contacts
Authors: Zhen Qi , Zhang Heng , Sun Huan‐Wei , Zhang Yi‐Feng 
Published: August 2021

AbstractThe softness of polypropylene (PP) fabrics, which is related to fiber properties and fabric structure, is a pivotal perception for their application in skin contacts. However, tailoring the softness of PP fabrics remains challenging. The effects of mixing different percentages of polyethylene (PE) and PP during the melt‐blowing process on the polymer properties and morphology characteristics, including the softness, preparation, and characterization of the micro‐nanofibrous fabrics were determined. Rheological tests and differential scanning calorimetry results showed that the addition of PE helped destroy the crystalline integrity of PP. Moreover, scanning electron microscopy images depicted a fluffy structure consisting of micro‐nanofibers with average diameters ranging from 1.3 to 3.2 μm. Furthermore, the softness scores ranged from 70.39 to 83.11 by changing the die temperature and PE mass ratio by applying a response surface model. Consequently, this micro‐nanofibrous fabric may become a good material for skin contacts, such as baby diapers, feminine sanitary, and other personal hygiene uses.
The year‐round distribution and habitat preferences of Campbell albatross (Thalassarche impavida)
Authors: Thompson David R. , Goetz Kimberly T. , Sagar Paul M. , Torres Leigh G. , Kroeger Caitlin E. , Sztukowski Lisa A. , Orben Rachael A. , Hoskins Andrew J. , Phillips Richard A. 
Published: August 2021

Abstract

The use of miniaturized electronic tracking devices has illuminated our understanding of seabird distributions and habitat use, and how anthropogenic threats interact with seabirds in both space and time. To determine the year‐round distribution of adult Campbell albatross (Thalassarche impavida), a single‐island endemic, breeding only at Campbell Island in New Zealand's subantarctic, a total of 68 year‐long location data sets were acquired from light‐based geolocation data‐logging tags deployed on breeding birds in 2009 and 2010.
During the incubation and chick‐guard phases of the breeding season, birds used cool (<10°C) waters over the Campbell Plateau, but also ranged over deeper, shelf‐break and oceanic waters (4,000–5,500 m) beyond the Plateau. Later in the breeding season, during post‐guard chick‐rearing, Campbell albatrosses exploited generally deep waters (4,000–5,000 m) beyond the Campbell Plateau.
During the non‐breeding period, adults tended to move northwards into warmer (approximately 15°C) waters and occupied areas beyond western Australia in the west to offshore from Chile in the east. Overall, about 30% of adults spent some of their non‐breeding period in the central and eastern Pacific Ocean, substantially expanding the previously reported range for this species.
One bird, that failed in its breeding attempt in October 2009, departed Campbell Island and circumnavigated the southern oceans before being recaptured back at Campbell Island in October 2010. This is the first example of an annually‐breeding albatross species completing a circumnavigation between breeding attempts.
Overlap with fishing effort, using data from the Global Fishing Watch database, was assessed on a monthly and seasonal basis. Generally, levels of overlap between Campbell albatross and fishing effort were relatively low during the breeding season but were approximately 60% higher during the non‐breeding period, underlining the need for international initiatives to safeguard this species.
Face‐viewing patterns predict audiovisual speech integration in autistic children
Authors: Feng Shuyuan , Lu Haoyang , Wang Qiandong , Li Tianbi , Fang Jing , Chen Lihan , Yi Li 
Published: August 2021

AbstractAutistic children show audiovisual speech integration deficits, though the underlying mechanisms remain unclear. The present study examined how audiovisual speech integration deficits in autistic children could be affected by their looking patterns. We measured audiovisual speech integration in 26 autistic children and 26 typically developing (TD) children (4‐ to 7‐year‐old) employing the McGurk task (a videotaped speaker uttering phonemes with her eyes open or closed) and tracked their eye movements. We found that, compared with TD children, autistic children showed weaker audiovisual speech integration (i.e., the McGurk effect) in the open‐eyes condition and similar audiovisual speech integration in the closed‐eyes condition. Autistic children viewed the speaker's mouth less in non‐McGurk trials than in McGurk trials in both conditions. Importantly, autistic children's weaker audiovisual speech integration could be predicted by their reduced mouth‐looking time. The present study indicated that atypical face‐viewing patterns could serve as one of the cognitive mechanisms of audiovisual speech integration deficits in autistic children.Lay SummaryMcGurk effect occurs when the visual part of a phoneme (e.g., “ga”) and the auditory part of another phoneme (e.g., “ba”) uttered by a speaker were integrated into a fused perception (e.g., “da”). The present study examined how McGurk effect in autistic children could be affected by their looking patterns for the speaker's face. We found that less looking time for the speaker's mouth in autistic children could predict weaker McGurk effect. As McGurk effect manifests audiovisual speech integration, our findings imply that we could improve audiovisual speech integration in autistic children by directing them to look at the speaker's mouth in future intervention.
Biodiesel production using Candida rugosa as biocatalytic lipase immobilized on p‐nitrobenzyl cellulose xanthate (NBXCel)
Authors: Rial Rafael C. , de Freitas Osmar N. , Cavalheiro Leandro F. , Nazário Carlos Eduardo D. , Viana Luíz Henrique 
Published: August 2021

AbstractThis work investigated the best reaction conditions to obtain biodiesel from soybean oil using Candida rugosa lipase (CRL) immobilized on p‐nitrobenzyl cellulose xanthate (NBXCel) support. The alcohols used were methanol and ethanol and the molar ratio used was 1:4 (n/n). The CRL immobilized on NBXCel support showed greater catalytic activity at pH 7.00 and at 45 °C. Thus, 23 experiments were carried out at this pH and at this temperature, varying the reaction time, type of alcohol, and amount of immobilized CRL to achieve a conversion equal to or greater than 96.5% as recommended by EN 14103. The highest conversions of methyl biodiesel were achieved using 4.31%mCRL/mNBXCel and with 3.89%mCRL/mNBXCel. Ethyl biodiesel was achieved at the highest conversion using 5.18% and 4.76%mCRL/mNBXCel. The results were explored with regression analysis to identify the best reaction conditions to obtain a good conversion, and the response surface graphs were plotted to visualize other reaction conditions. We also evaluated the number of reuse cycles of CRL immobilized on NBXCel support, to lower biodiesel production cost, and after 15 cycles of reuse the conversions obtained were above 50%, demonstrating the efficiency of CRL immobilized on the NBXCel support in catalyzing the synthesis of biodiesel. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd
Culture‐free biphasic approach for sensitive detection of Escherichia coli O157:H7 from beef samples
Authors: Mostafa Ariana , Ganguli Anurup , Berger Jacob , Rayabharam Archith , Saavedra Carlos , Aluru Narayana R. , Bashir Rashid 
Published: August 2021

AbstractFoodborne illnesses are a major threat to public health also leading to significant mortality and financial and reputational damage to industry. It is very important to detect pathogen presence in food products early, rapidly, and accurately to avoid potential outbreaks and economic loss. However, “gold standard” culture methods, including enrichment of pathogens, can take up to several days. Moreover, the food matrix often interferes with nucleic acid amplification methods of detection, requiring DNA extraction from the sample for successful molecular detection of pathogens. Here, we introduce a “biphasic” amplification method that can achieve high sensitivity detection with background noise from ground beef food samples without culture or other extraction methods in 2.5 h. Homogenized ground beef is dried resulting in an increase in porosity of the dried food matrix to allowing amplification enzymes and primers to access the target DNA and initiate the reaction within the dried food matrix. Using Loop Mediated Isothermal Amplification, we demonstrate the detection of 1–3 cfu of Escherichia coli bacteria in 30 mg of dried food matrix. Our approach significantly lowers the time to result to less than a few hours and have a pronounced impact on reduction of instrumentation complexity and costs.
Risk prediction models for esophageal cancer: A systematic review and critical appraisal
Authors: Li He , Sun Dianqin , Cao Maomao , He Siyi , Zheng Yadi , Yu Xinyang , Wu Zheng , Lei Lin , Peng Ji , Li Jiang , Li Ni , Chen Wanqing 
Published: August 2021

AbstractBackground and aimsEsophageal cancer risk prediction models allow for risk‐stratified endoscopic screening. We aimed to assess the quality of these models developed in the general population.MethodsA systematic search of the PubMed and Embase databases from January 2000 through May 2021 was performed. Studies that developed or validated a model of esophageal cancer in the general population were included. Screening, data extraction, and risk of bias (ROB) assessment by the Prediction model Risk Of Bias Assessment Tool (PROBAST) were performed independently by two reviewers.ResultsOf the 13 models included in the qualitative analysis, 8 were developed for esophageal squamous cell carcinoma (ESCC) and the other 5 were developed for esophageal adenocarcinoma (EAC). Only two models conducted external validation. In the ESCC models, cigarette smoking was included in each model, followed by age, sex, and alcohol consumption. For EAC models, cigarette smoking and body mass index were included in each model, and gastroesophageal reflux disease, uses of acid‐suppressant medicine, and nonsteroidal anti‐inflammatory drug were exclusively included. The discriminative performance was reported in all studies, with C statistics ranging from 0.71 to 0.88, whereas only six models reported calibration. For ROB, all the models had a low risk in participant and outcome, but all models showed high risk in analysis, and 60% of models showed a high risk in predictors, which resulted in all models being classified as having overall high ROB. For model applicability, about 60% of these models had an overall low risk, with 30% of models of high risk and 10% of models of unclear risk, concerning the assessment of participants, predictors, and outcomes.ConclusionsMost current risk prediction models of esophageal cancer have a high ROB. Prediction models need further improvement in their quality and applicability to benefit esophageal cancer screening.
How Child‐Focused are Child Protection Conferences?
Authors: Richardson Foster Helen , Barter Christine , Stanley Nicky , Churchill Harriet 
Published: August 2021

Child protection conferences (CPCs) are multiagency meetings that are central to child protection procedures in the UK. They bring together practitioners, parents and children to consider whether a child has experienced significant harm and, if so, what action is required to protect him or her in future. This article presents findings from a qualitative study of CPCs in two areas in central England which explored the extent to which conferences are ‘child‐focused’ events. Data were gathered from audio recordings and documentary analysis of 14 initial and review conferences, 15 interviews with conference staff and six focus groups with 35 practitioners from a range of agencies. A four‐part conceptualisation of child‐focused practice was used to analyse practice in conferences. Children's participation in CPCs was found to be low, and child‐focused decision‐making and planning were rarely achieved. The findings emphasise the importance of pre‐conference work with children and families, and the central role of the conference chair. These findings are compared to those of the landmark ‘studies in child protection’ research published by the Department of Health almost 26 years ago to determine if improvements in child protection conference practice have occurred.‘Explore[s] the extent to which [child protection] conferences are ‘child‐focused’ events’Key Practitioner Messages

Making CPCs more child‐focused requires greater support, preparation and planning from practitioners. In particular, mechanisms to facilitate children's participation in conferences should be identified and used.
While representation of children's views is critical, in order for the conference to be child‐focused, it must also consider the individual child's experience, including their daily lived experience and needs and outcomes in reports for conference, CPC discussion and child protection planning – please state preference.
The time allocated for planning and decision‐making should be ring‐fenced within the conference.
Nitrogen fertilization levels influence the physicochemical properties of floury rice varieties
Authors: Han Chae‐Min , Shin Jong‐Hee , Kwon Jung‐Bae , Won Jong‐Gun , Kim Jong‐Sang 
Published: August 2021

AbstractBackground and objectivesThis study was conducted to determine the effect of nitrogen fertilization level during cultivation on physicochemical properties of two floury rice varieties (Shingil and Garumi 2) with different endosperm types under dry‐milling process.FindingsIn both varieties, the protein content was increased in proportion to the level of nitrogen fertilization, while the amylose content exhibited a slight decrease in the highest nitrogen fertilization level. Damaged starch and digestible starch fractions were decreased with increasing nitrogen fertilization for both varieties, maybe due to the reduction in total starch relative to the protein content. Nevertheless, the level of damaged starch increased in Shingil under the highest nitrogen fertilization of 270 kg/ha, suggesting that nitrogen fertilization level can affect the physicochemical characteristics of starch particles during dry milling. The proportion of short amylopectin chains (DP6‐12) decreased with increasing nitrogen fertilization. The difference was more prominent in Shingil than the other variety Garumi 2, indicating that Shingil could experience a greater increase in hardening and a faster retrogradation by increased nitrogen fertilization level than Garumi 2.ConclusionsNitrogen fertilization levels during rice growth affected the starch and protein contents in the endosperm, the chain length of amylopectin, which should, in turn, contribute to the processing properties of floury rice varieties.Significance and noveltyThis study will help develop fertilization strategies for the novel floury rice varieties and consequently provide helpful information to the rice‐processing food industry.
Chemical identification of microfossils from the 1.88‐Ga Gunflint chert: Towards empirical biosignatures using laser ablation ionization mass spectrometer
Authors: Lukmanov Rustam A. , Tulej Marek , Ligterink Niels F. W. , De Koning Coenraad , Riedo Andreas , Grimaudo Valentine , Neubeck Anna , Wacey David , Wurz Peter 
Published: August 2021

AbstractIn this contribution, we investigated the chemical composition of Precambrian microfossils from the Gunflint chert (1.88 Ga) using a miniature laser ablation ionization mass spectrometer (LIMS) developed for in situ space applications. Spatially resolved mass spectrometric imaging (MSI) and depth profiling resulted in the acquisition of 68,500 mass spectra. Using single mass unit spectral decomposition and multivariate data analysis techniques, we identified the location of aggregations of microfossils and surrounding inorganic host mineral. Our results show that microfossils have unique chemical compositions that can be distinguished from the inorganic chert with high fidelity. Chemical depth profiling results also show that with LIMS microprobe data, it is possible to identify chemical differences between individual microfossils, thereby providing new insights about nature of early life. Analysis of LIMS spectra acquired from the individual microfossils reveals complex mineralization, which can reflect the metabolic diversity of the Gunflint microbiome. An intensity‐based machine learning model trained on LIMS Gunflint data might be applied for the future investigations of putative microfossils from silicified matrices, where morphological integrity of investigated structures is lost, and potentially in the investigation of rocks acquired from the Martian surface.
Electrocatalytic H2 Generation from Water Relying on Cooperative Ligand Electron Transfer in “PN3P” Pincer‐Supported NiII Complexes
Authors: Norouziyanlakvan Somayeh , Rao Gyandshwar Kumar , Ovens Jeffrey , Gabidullin Bulat , Richeson Darrin 
Published: August 2021

AbstractWater is the most sustainable source for H2 production, and the efficient electrocatalytic production of H2 from mixed water/acetonitrile solutions by using two new air‐stable nickel(II) pincer complexes, [Ni(κ3‐2,6‐{Ph2PNR}2(NC5H3)Br2] (R=H I, Me II) is reported. Hydrogen generation from H2O/CH3CN solutions is initiated at −2 V against Fc+/0, and bulk electrocatalysis studies showed that the catalyst functions with an excellent Faradaic efficiency and a turnover frequency of 160 s−1. A DFT computational investigation of the reduction behavior of I and II revealed a correlation of H2 formation with charge donation from electrons originating in a reduced ligand‐localized orbital. As a result, these catalysts are proposed to proceed by a novel mechanism involving electron/proton transfer between a Ni0I species bonded to an anionic PN3P ligand (“L−/Ni0I”) and a NiI‐hydride (“Ni−H”). Furthermore, these catalysts are able to reduce phenol and acetic acid, more active proton sources, at lower potentials that correlate with the substrate pKa.
Siliciumcarbid
Authors: Schubert Ulrich 
Published: August 2021

ZusammenfassungSiliciumcarbid hat eine Reihe von Eigenschaften, die denen von Diamant gleichen, wie Härte, hohe chemische, thermische und mechanische Beständigkeit sowie ähnliche optische Eigenschaften. Wie elementares Silicium ist SiC aber auch ein Halbleiter, allerdings mit größerer Bandlücke. Aus dieser Kombination ergeben sich vielfältige technische Anwendungsmöglichkeiten. Die Ähnlichkeit mit Silicium und Diamant ist auf einen gleichen strukturellen Aufbau zurückzuführen, SiC zeichnet sich aber durch eine Vielzahl von Polytypen aus. Der größte Anteil an SiC, mit technischer Qualität, wird durch das Acheson‐Verfahren hergestellt, die Reaktion von SiO2 mit Kohlenstoff. Kristalle hoher Reinheit und definierter Struktur werden durch Sublimation von Acheson‐SiC erhalten. Zur Herstellung dünner SiC‐Schichten sind CVD‐Methoden am besten geeignet; SiC‐Fasern können durch Thermolyse von Polycarbosilanen erzeugt werden.
A sex‐specific feedback projection from aromatase‐expressing neurons in the medial amygdala to the accessory olfactory bulb
Authors: Inbar Tal , Davis Rachel , Bergan Joseph F. 
Published: August 2021

AbstractThe accessory olfactory bulb (AOB) plays a critical role in classifying pheromonal signals. Here we identify two previously undescribed sources of aromatase signaling in the AOB: (1) a population of aromatase‐expressing neurons in the AOB itself; (2) a tract of aromatase‐expressing axons which originate in the ventral medial amygdala (MEA) and terminate in the AOB. Using a retrograde tracer in conjunction with a transgenic strategy to label aromatase‐expressing neurons throughout the brain, we found that a single contiguous population of neurons in the ventral MEA provides the only significant feedback by aromatase‐expressing neurons to the AOB. This population expresses the estrogen receptor alpha (ERα) and displayed anatomical sex differences in the number of neurons (higher in male mice) and the size of cell bodies (larger in females). Given the previously established relationship between aromatase expression, estrogen signaling, and the function of sexually dimorphic circuits, we suggest that this feedback population is well‐positioned to provide neuroendocrine feedback to modulate sensory processing of social stimuli in the AOB.
Pattern2Vec: Representation of clickstream data sequences for learning user navigational behavior
Authors: Olmezogullari Erdi , Aktas Mehmet S. 
Published: August 2021

SummaryWord embedding approaches represent data sequences to handle their contextual meaning in the NLP tasks. Nowadays, there is an emerging need to understand the user behavior patterns over navigational clickstream data. However, representing the URL data sequences utilizing existing embedding approaches to cluster users' behavior with unsupervised machine learning tasks is a challenging task. This study introduces the Patter2Vec embedding approach using a representation vector to construct contextual, precise, and interpretable clusters over the hidden and popular navigational patterns. To test the usability of the proposed representation in clustering tasks, we conduct an experimental study, which indicates that Pattern2Vec outperforms existing embedding approaches.