bluuebunny/crossref_metadata_2025_split huggingface dataset:
Development and Application of Trifluoromethoxylating Reagents
Authors: Si Yafeng , Tang Pingping 
Published: April 2023

Comprehensive SummaryThe trifluoromethoxy functional group has received increasing attention in recent years due to its distinctive properties such as good metabolic stability, appropriate lipophilicity and special electrical properties. Thus, the development of new reagents and new strategies of direct trifluoromethoxylation are attracting the enthusiasm of many fluorine chemical workers. At present, nucleophilic and radical trifluoromethoxylating reagents have made major breakthroughs, greatly promoting the development of trifluoromethoxy chemistry. This review is mainly divided into two parts: nucleophilic and radical types, focusing on the development history, characteristics and applications of various trifluoromethoxylating reagents.
Enantioselective and Enantioconvergent Iron‐Catalyzed C(sp3)‐H Aminations to Chiral 2‐Imidazolidinones
Authors: Cui Tianjiao , Ye Chen‐Xi , Thelemann Jordan , Jenisch Daniel , Meggers Eric 
Published: April 2023

Comprehensive SummaryEnantioselective or enantioconvergent iron‐catalyzed ring‐closing C(sp3)‐H aminations of N‐aroyloxyurea through intermediate iron nitrene species provide chiral 2‐imidazolidinones in up to 99% yield and with up to 95% ee (40 examples). This is a rare example in which sustainable iron catalysis is combined with C(sp3)‐H amination and asymmetric catalysis. Chiral 2‐imidazolidinones are prevalent structural motifs in bioactive molecules and can also be hydrolyzed to valuable chiral vicinal diamines in a single step.
Copper(I)‐Thiosemicarbazone Complexes with Dual Anticancer and Antiparasitic Activity
Authors: Machado João Franco , Marques Fernanda , Pinheiro Teresa , Villa de Brito Maria J. , Scalese Gonzalo , Pérez‐Díaz Leticia , Otero Lucía , António João P. M. , Gambino Dinorah , Morais Tânia S. 
Published: April 2023

AbstractFour new Cu(I) complexes of the general formula [Cu(PP)(LL)][BF4], in which PP is a phosphane ligand (triphenylphosphane or 1,2‐bis(diphenylphosphano)ethane (dppe)) and LL is a bioactive thiosemicarbazone ligand (4‐(methyl)‐1‐(5‐nitrofurfurylidene)thiosemicarbazone) or 4‐(ethyl)‐1‐(5‐nitrofurfurylidene)thiosemicarbazone) were synthesized and fully characterized by classical analytical and spectroscopic methods. The anti‐trypanosome and anticancer activities were investigated in vitro onTrypanosoma cruziand in two human cancer cell lines (ovarian OVCAR3 and prostate PC3). To test the selectivity toward parasites and cancer cells, the cytotoxicity on normal monkey kidney VERO and human dermal fibroblasts HDF cells was also evaluated. The new heteroleptic complexes were more cytotoxic onT. cruziand chemoresistant prostate PC3 cells than the benchmark drugs nifurtimox and cisplatin. The compounds also showed a high level of cellular internalization by the OVCAR3 cells and, in particular, those containing the dppe phosphane showed activation of the cell death mechanism via apoptosis. On the other hand, the production of reactive oxygen species induced by these complexes was not evident.
Increased plasma levels of monocyte chemoattractant protein‐1 in patients with hepatitis B virus pre‐S2 gene deletion mutation predict a higher risk of hepatocellular carcinoma recurrence after curative surgical resection
Authors: Jeng Long‐Bin , Li Tsai‐Chung , Wang John , Teng Chiao‐Fang 
Published: April 2023

AbstractBackgroundDespite resection surgery as a curative therapy for hepatocellular carcinoma (HCC), the high rate of postoperative HCC recurrence remains a big challenge for patient survival. Chronic hepatitis B virus (HBV) infection is the most important risk factor for HCC. Deletion mutation in the HBV pre‐S2 gene leads to expression of an essential viral oncoprotein called pre‐S2 mutant and represents an independent prognostic biomarker for HCC recurrence after curative surgical resection. Additionally, cytokines are multifunctional secreted proteins and implicated in all stages of HBV‐related HCC tumorigenesis.MethodsThis study aimed to identify the cytokines whose plasma levels were associated with pre‐S2 gene deletion mutation and HCC recurrence and evaluate their potential to be combined with pre‐S2 gene deletion mutation in predicting HCC recurrence.ResultsAmong a panel of 27 cytokines examined, plasma levels of monocyte chemoattractant protein‐1 (MCP‐1) were significantly upregulated in patients with pre‐S2 gene deletion mutation or HCC recurrence. MCP‐1 was validated as an independent prognostic biomarker for HCC recurrence. Moreover, patients with both the presence of pre‐S2 gene deletion mutation and high levels of MCP‐1 displayed a higher risk of HCC recurrence than patients with either one or none of these two biomarkers. The combination of pre‐S2 gene deletion mutation and MCP‐1 levels exhibited a better prognostic performance for HCC recurrence than each biomarker alone.ConclusionsThis study discovered that MCP‐1 levels had a significance to be as a combination biomarker with pre‐S2 gene deletion mutation providing an improved performance in predicting HCC recurrence after curative surgical resection.
Optimization of Sodium Storage Performance by Structure Engineering in Nickel‐Cobalt‐Sulfide
Authors: Fan Shanshan , Liu Haiping , Bi Sifu , Meng Xiaohuan , Zhong Haoyin , Zhang Qi , Xie Ying , Xue Junmin 
Published: April 2023

AbstractThe development of high‐performance electrode materials is crucial for the advancement of sodium ion batteries (SIBs), and NiCo2S4 has been identified as a promising anode material due to its high theoretical capacity and abundant redox centers. However, its practical application in SIBs is hampered by issues such as severe volume variations and poor cycle stability. Herein, the Mn‐doped NiCo2S4@graphene nanosheets (GNs) composite electrodes with hollow nanocages were designed using a structure engineering method to relieve the volume expansion and improve the transport kinetics and conductivity of the NiCo2S4 electrode during cycling. Physical characterization and electrochemical tests, combined with density functional theory (DFT) calculations indicate that the resulting 3 % Mn‐NCS@GNs electrode demonstrates excellent electrochemical performance (352.9 mAh g−1 at 200 mA g−1 after 200 cycles, and 315.3 mAh g−1 at 5000 mA g−1). This work provides a promising strategy for enhancing the sodium storage performance of metal sulfide electrodes.
Algebraic infection of charge correlations at the ionic critical point
Authors: Alastuey Angel , Das Subir K. 
Published: April 2023

AbstractWe consider a classical two‐component plasma analog of the restricted primitive model of electrolyte, where the hard‐core interaction is replaced by a soft differentiable potential. Within the Born–Green–Yvon hierarchy for the equilibrium distribution functions, we shed light on an infection mechanism where the charge correlations are polluted by the density correlations at the critical point of the liquid–gas transition. This should imply an algebraic decay of critical charge correlations, consistently with the violation of the Stillinger–Lovett sum rule observed in Monte Carlo simulations. In connection with this effect of density correlations on the charge correlations, we also provide a discussion on an extended version of the Debye–Hückel theory that calculates charge correlations in the restricted primitive model for an externally imposed spatial fluctuation of charges.PACS Numbers: 05.30.‐d, 05.70.Ce, 52.25.Kn.
Effects of habitat management on rodent diversity, abundance, and virus infection dynamics
Authors: Mull Nathaniel , Schexnayder Amy , Stolt Abigail , Sironen Tarja , Forbes Kristian M. 
Published: April 2023

AbstractAs anthropogenic factors continue to degrade natural areas, habitat management is needed to restore and maintain biodiversity. However, the impacts of different habitat management regimes on ecosystems have largely focused on vegetation analyses, with limited evaluation of downstream effects on wildlife. We compared the effects of grassland management regimes (prescribed burning, cutting/haying, or no active management) on rodent communities and the viruses they hosted. Rodents were trapped in 13 existing grassland sites in Northwest Arkansas, USA during 2020 and 2021. Rodent blood samples were screened for antibodies against three common rodent‐borne virus groups: orthohantaviruses, arenaviruses, and orthopoxviruses. We captured 616 rodents across 5953 trap nights. Burned and unmanaged sites had similarly high abundance and diversity, but burned sites had a higher proportion of grassland species than unmanaged sites; cut sites had the highest proportion of grassland species but the lowest rodent abundance and diversity. A total of 38 rodents were seropositive for one of the three virus groups (34 orthohantavirus, three arenavirus, and one orthopoxvirus). Thirty‐six seropositive individuals were found in burned sites, and two orthohantavirus‐seropositive individuals were found in cut sites. Cotton rats and prairie voles, two grassland species, accounted for 97% of the rodents seropositive for orthohantavirus. Our study indicates that prescribed burns lead to a diverse and abundant community of grassland rodent species compared with other management regimes; as keystone taxa, these results also have important implications for many other species in food webs. Higher prevalence of antibodies against rodent‐borne viruses in burned prairies shows an unexpected consequence likely resulting from robust host population densities supported by the increased habitat quality of these sites. Ultimately, these results provide empirical evidence that can inform grassland restoration and ongoing management strategies.
Forest conversion into pasture selects dung beetle traits at different biological scales depending on species pool composition
Authors: Pessôa Marcelo Bruno , Souza do Amaral Tatiana , De Marco Júnior Paulo , Hortal Joaquín 
Published: April 2023

Abstract

The conversion of forests into open areas has large effects on the diversity and structure of native communities. The intensity of these effects may vary between regions, depending on the existence of native species adapted to open habitats in the regional pool or the time since habitat change.

We assess the differences in species richness and functional diversity of dung beetle communities (Coleoptera: Scarabaeinae) between native forests and novel pasturelands of the Atlantic Forest and the Cerrado, two biomes with contrasting histories of human occupation in Brazil. We conducted standardized surveys in seven forest fragments and adjacent pastures in each region and measured 14 traits in individuals collected in each type of habitat at each particular site. We calculated functional richness, functional evenness, functional divergence, and community‐weighted mean of traits for each area, and analyzed individual variation through nested variance decomposition and Trait Statistics.

Communities were richer and more numerous at the Cerrado. We did not find any consistent relationship between functional diversity and forest conversion beyond the changes in species diversity. Although landscape changes were more recent at the Cerrado, the colonization of the new habitat by native species already adapted to open habitats lessens the functional loss in this biome. This indicates that habitat change's effects on trait diversity depend on the regional species pool rather than on time since land conversion.

Forest conversion effects were primarily due to internal filtering. The effects of external filtering only appear at the intraspecific variance level, with contrasting differences between the Cerrado, where traits related to relocation behavior and size are selected, and the Atlantic Forest, where selection operates for traits related to relocation behavior and flight. These results evidence the importance of considering individual variance to address the responses of dung beetle communities to forest conversion.
Valorization of pomace from craft cider: Nutritional value, chemical composition, and phenolic and mineral profiles
Authors: Brandão Ana Sofia , Caleja Cristina , Dias Maria Inês , ben Salha Asma , Rezouga Feriel , Rodrigues Paula , Ferreira Isabel C. F. R. , Barros Lillian , Santos José M. R. C. A. 
Published: April 2023

AbstractWaste recovery, in a circular economy context, is associated with clear economic and environmental benefits. Although apple pomace has been extensively studied for many applications, the valorization of pomace from emerging craft cider production is a novelty. This work is intended to determine the nutritional value, chemical composition, and phenolic and mineral profiles of pomace from craft cider waste. Levels of moisture (79.3%) and sugar contents (54.0%) stand out in their composition. Ethanol (1.56%) has been identified. Also, malic acid (2.94%), as well as α‐tocopherols (0.4 mg/100 g) were detected. The phenolic profile showed six flavonoid compounds identified mainly quercetin derivatives. The mineral analysis revealed potassium as the major constituent (58.5 mg/g). In conclusion, it is envisaged that cider pomace could be an ideal substrate for biotechnological purposes, particularly as a sustainable and alternative, cheap source to produce glycerol for application in various industries such as food, cosmetics, and pharmaceuticals.
Intergroup relations affect depressive symptoms of Indigenous people: Longitudinal evidence
Authors: Zagefka Hanna , González Roberto , Mackenna Bernardo , Castro Diego , Carozzi Pia , Pairican Fernando 
Published: April 2023

AbstractOne thousand eight hundred thirty‐five individuals who self‐identified as Indigenous (with Mapuche being the largest group) participated in a two‐wave longitudinal survey conducted in Chile with an 18 months lag. This was an approximately nationally representative sample of residents from culturally diverse communities. The aim of the study was to identify protective and adverse factors that are related to the development of depressive symptoms in Indigenous people. It was hypothesized that perceived social support would be negatively related to the development of depressive symptoms and that perceived discrimination would be positively associated with depressive symptoms, so that being on the receiving end of discrimination would make the manifestation of depressive symptoms more likely. Social support and perceived discrimination were themselves predicted to be affected by acculturation preferences and skin pigmentation. It was hypothesized that a positive acculturation orientation towards both the Indigenous group and members of non‐Indigenous majority society would be associated with more perceived social support. Hence, preference for culture maintenance and preference for cross‐group contact were expected to be positively related to social support. Further, it was hypothesized that darker skin pigmentation would be associated with more experiences of discrimination. Taken together, two processes were expected to affect depressive symptomatology: a protective effect of acculturation preferences mediated by social support and a deleterious effect of pigmentation mediated by experiences of discrimination. Results confirmed the predictions cross‐sectionally but longitudinal effects were only found for the deleterious effect of pigmentation; the protective effect of acculturation preferences was notably weaker over time. These findings have both theoretical and applied implications.
The Concentrations, Sources, Ecological, and Human Health Risk Assessment of Heavy Metals in Roadside Soils of Six Cities in Shanxi Province, China
Authors: Ma Haotian , Mi Meixia , Wang Chongning , Wu Xiaogang , Zhen Zhilei 
Published: April 2023

Abstract
Roadside soils are regarded as a reservoir for heavy metal pollution, which potentially leads to ecosystem deterioration as well as serious hazard to human health. A comprehensive investigation was conducted for the levels, relationship with soil properties, and potential sources of heavy metals (Hg, Cu, Zn, Pb, Cd, and Cr) in roadside soils in six cities (Changzhi, Jincheng, Yuncheng, Linfen, Xinzhou, Datong) of Shanxi Province; and the corresponding ecological risk and human health risk associated with the concentrations of heavy metals were addressed. Heavy metal concentrations of 112 roadside soil samples in the surveyed cities were, in decreasing order, Zn, Cu, Cr, Pb, Cd, and Hg, which were higher than corresponding background values. The highest concentrations were in Changzhi. The results of Pearson correlation analysis demonstrated that positive correlations in varying degrees existed between soil properties such as electrical conductivity, total nitrogen, total phosphorus, and total organic carbon with specific heavy metals and that negative correlations were observed for clay and electrical conductivity. Anthropogenic sources related to traffic emissions and industrialization were the main sources of heavy metals in roadside soils according to principal component analysis. The ecological risk assessments were achieved by pollution index and potential risk index, indicating that contamination with Hg was the most serious, which posed the highest risk to the ecosystems in the surveyed cities; and the ecological risk in Changzhi ranked at the top compared with other cities. For the human health risk assessment, the results demonstrated that the noncarcinogenic and carcinogenic risks were in the acceptable range in the surveyed cities. However, there was a higher health risk from heavy metal exposure for children than adults, and the main exposure pathway was soil ingestion. In addition, Changzhi was the city with the highest noncarcinogenic and carcinogenic risks, and the main human health risks were posed by Cr contamination in roadside soil, which was different from the results of ecological risks. Both results of ecological and health risk assessment demonstrated that the higher risk exhibited in southern and southeastern cities than northern cities in Shanxi Province. Environ Toxicol Chem 2023;42:1485–1500. © 2023 SETAC
OptimizedLightGBMmodel for security and privacy issues incyber‐physicalsystems
Authors: Dalal Surjeet , Poongodi M. , Lilhore Umesh Kumar , Dahan Fadl , Vaiyapuri Thavavel , Keshta Ismail , Aldossary Sultan Mesfer , Mahmoud Amena , Simaiya Sarita 
Published: April 2023

AbstractIntegrating physical, computational, and networking resources are the goal of cyber‐physical systems, also known as smart‐embedded systems. By investing in a solid foundation, we can improve the usefulness and timeliness of the services we rely on in every facet of our lives and ultimately live more elegantly. Regarding modern technology, data security is a significant factor that must be considered. The complexity of cyber‐physical systems' interacting components and middleware presents serious hurdles when it comes to protecting them from cyber‐attacks without negatively impacting their performance. This article proposes a unique, efficient encryption technique for anticipating cyber assaults in cyber‐physical systems, which addresses these concerns. The suggested method uses Bayesian optimization techniques to fine‐tune the LightGBM algorithm's hyper‐parameters. This proposed algorithm has been implemented on the intrusion detection dataset (UNR‐IDD) from the University of Nevada. Reno has been used to test the suggested approach. The proposed system achieved 99.17% accuracy, 0.9918 precision, and 0.9922 recall values. Our empirical evaluation demonstrates that the algorithm successfully increases accuracy and AUC value, making the cyber‐physical system more secure. In turn, the suggested methodology may offer robust assurance for user data safety.
Spatial learning impairments and discoordination of entorhinal‐hippocampal circuit coding following prolonged febrile seizures
Authors: Kloc Michelle L. , Chen Yuncai , Daglian Jennifer M. , Holmes Gregory L. , Baram Tallie Z. , Barry Jeremy M. 
Published: April 2023

AbstractHow the development and function of neural circuits governing learning and memory are affected by insults in early life remains poorly understood. The goal of this study was to identify putative changes in cortico‐hippocampal signaling mechanisms that could lead to learning and memory deficits in a clinically relevant developmental pathophysiological rodent model, Febrile status epilepticus (FSE). FSE in both pediatric cases and the experimental animal model, is associated with enduring physiological alterations of the hippocampal circuit and cognitive impairment. Here, we deconstruct hippocampal circuit throughput by inducing slow theta oscillations in rats under urethane anesthesia and isolating the dendritic compartments of CA1 and dentate gyrus subfields, their reception of medial and lateral entorhinal cortex inputs, and the efficacy of signal propagation to each somatic cell layer. We identify FSE‐induced theta‐gamma decoupling at cortical synaptic input pathways and altered signal phase coherence along the CA1 and dentate gyrus somatodendritic axes. Moreover, increased DG synaptic activity levels are predictive of poor cognitive outcomes. We propose that these alterations in cortico‐hippocampal coordination interfere with the ability of hippocampal dendrites to receive, decode and propagate neocortical inputs. If this frequency‐specific syntax is necessary for cortico‐hippocampal coordination and spatial learning and memory, its loss could be a mechanism for FSE cognitive comorbidities.
Implementation of data fusion to increase the efficiency of classification of precancerous skin states using in vivo bimodal spectroscopic technique
Authors: Kupriyanov Valentin , Blondel Walter , Daul Christian , Amouroux Marine , Kistenev Yury 
Published: April 2023

AbstractThis study presents the results of the classification of diffuse reflectance (DR) spectra and multiexcitation autofluorescence (AF) spectra that were collected in vivo from precancerous and benign skin lesions at three different source detector separation (SDS) values. Spectra processing pipeline consisted of dimensionality reduction, which was performed using principal component analysis (PCA), followed by classification step using such methods as support vector machine (SVM), multilayered perceptron (MLP), linear discriminant analysis (LDA), and random forest (RF). In order to increase the efficiency of lesion classification, several data fusion methods were applied to the classification results: majority voting, stacking, and manual optimization of weights. The results of the study showed that in most of cases the use of data fusion methods increased the average multiclass classification accuracy from 2% up to 4%. The highest accuracy of multiclass classification was obtained using the manual optimization of weights and reached 94.41%.