bluuebunny/crossref_metadata_2025_split huggingface dataset:
Evaluation of the flocculation and dewatering performance of dual polymers for treating oil sands tailings
Authors: Li Xiaoxiao , Shen Yang , Farinato Raymond S. , Somasundaran Ponisseril , Zhang Yuejun 
Published: January 2021

AbstractMature fine tailings produced in the processing of oil sands create serious water‐recovery problems; thus, it is important to characterize them and to improve the applicable dewatering technologies. Existing methods to dewater the tailings are found to be insufficient. Previous research has demonstrated that the addition of dual polymers is more efficient than using a single polymer to flocculate the fine tailings particles. Different from studies that took sophisticated procedures to assess the flocculation and dewatering efficiency of dual polymers, readily available and simple but effective experiments were conducted in this work. Evaluations were conducted with dual polymers comprised of low molecular weight poly(diallydimethylammonium chloride) (polyDADMAC) and high molecular weight cationic or anionic polyacrylamide (PAM). Turbidity and residual solids measurements for dewatered tailings treated with these polymers confirmed that the dual‐polymer approach yield superior performance compared to either polymer functioning alone. Zeta potential and microscopic observations indicated that the dosages of polyDADMAC and PAM that lead to near charge neutralization of the system result in maximal performance. We hypothesize that when dual polymers are added to the tailings, polyDADMAC acts to neutralize the charge and destabilize the fine particles, while high molecular weight PAM, either cationic or anionic, acts to aggregate the destabilized fines by the bridging mechanism. PolyDADMAC forms weak and tiny flocs when mixed with tailings particles. Cationic PAM transforms these small flocs into much larger ones, while anionic PAM connects them into aggregates. Therefore, synergism exists between polyDADMAC and PAM but this synergism is different, based on the charge of the PAM.
Synthesis and Cell Growth Inhibitory Activity of Six Non‐glycosaminoglycan‐Type Heparin‐Analogue Trisaccharides
Authors: Lisztes Erika , Mező Erika , Demeter Fruzsina , Horváth Lilla , Bősze Szilvia , István Tóth Balázs , Borbás Anikó , Herczeg Mihály 
Published: January 2021

AbstractThe design and synthesis of heparin mimetics with high anticancer activity but no anticoagulant activity is an important task in medicinal chemistry. Herein, we present the efficient synthesis of five Glc‐GlcA‐Glc‐sequenced and one Glc‐IdoA‐Glc‐sequenced non‐glycosaminoglycan, heparin‐related trisaccharides with various sulfation/sulfonylation and methylation patterns. The cell growth inhibitory effects of the compounds were tested against four cancerous human cell lines and two non‐cancerous cell lines. Two d‐glucuronate‐containing tetra‐O‐sulfated, partially methylated trisaccharides displayed remarkable and selective inhibitory effects on the growth of ovary carcinoma (A2780) and melanoma (WM35) cells. Methyl substituents on the glucuronide unit proved to be detrimental, whereas acetyl substituents were beneficial to the cytostatic activity of the sulfated derivatives.
Strategies To Design Selective Histone Deacetylase Inhibitors
Authors: Melesina Jelena , Simoben Conrad V. , Praetorius Lucas , Bülbül Emre F. , Robaa Dina , Sippl Wolfgang 
Published: January 2021

AbstractThis review classifies drug‐design strategies successfully implemented in the development of histone deacetylase (HDAC) inhibitors, which have many applications including cancer treatment. Our focus is on especially demanded selective HDAC inhibitors and their structure‐activity relationships in relation to corresponding protein structures. The main part of the paper is divided into six subsections each narrating how optimization of one of six structural features can influence inhibitor selectivity. It starts with the impact of the zinc binding group on selectivity, continues with the optimization of the linker placed in the substrate binding tunnel as well as the adjustment of the cap group interacting with the surface of the protein, and ends with the addition of groups targeting class‐specific sub‐pockets: the side‐pocket‐, lower‐pocket‐ and foot‐pocket‐targeting groups. The review is rounded off with a conclusion and an outlook on the future of HDAC inhibitor design.
A Novel Mesoporous Superparamagnetic Hybrid Silica/Hydroxyapatite Nanocomposite as MRI Contrast Agent
Authors: Kermanian Mehraneh , Sadighian Somayeh , Ramazani Ali , Naghibi Mehran , Hosseini Seyed Hojjat 
Published: January 2021

AbstractThis paper introduces a novel magnetic hybrid silica/hydroxyapatite nanocomposite with a mesoporous structure, MSFeHA. The usefulness of the nanocomposite as an MRI T2 contrast agent was studied. The structure and morphology of the nanocomposite were characterized by FT‐IR, XRD, N2 adsorption‐desorption isotherms, VSM, TEM, SEM, and EDS‐MAP. Then, the biocompatibility of the synthesized nanocomposite was studied by Brine shrimp Artemia lethality assay, red blood cell hemolysis assay, and MTT assay on MCF‐7 breast cancer cell line and HFF‐2 normal cell line. ICP‐OES results indicate that the highest bioaccumulation of MSFeHA nanocomposite has occurred within the liver and, between 4 to 24 hours after administration of MSFeHA. The amount of bioaccumulation within the studied organs decreased over time, which suggests that the nanocomposite biodegradation and excretion process became started. Furthermore, in vitro MRI studies reveal that MSFeHA nanocomposite has the potential to be an MRI T2 contrast agent (r2=106.6 ms).
Color appearance of small stimuli presented in central and near peripheral visual fields
Authors: Mogi Shuichi , Sakurai Masato , Ishikawa Tomoharu , Ayama Miyoshi 
Published: January 2021

AbstractThis study investigates the change in the color appearance of a small stimulus with a diameter of 0.5° presented at various locations along the vertical and horizontal meridians in the visual field. To determine the color appearance, the hue and saturation judgment method and the categorical color naming method were used. The results obtained using these two methods at 0° exhibit the same quality of color appearance as that of a stimulus with a diameter of about 2° reported in previous studies. A more rapid decrease in perceived saturation and hue shift toward yellow in reddish and greenish stimuli are indicated in the hue and saturation judgment, whereas early distinction of “red” and persistence of “yellow” and “blue” responses are observed in the categorical color naming method. Despite the evident change in color appearance for each stimulus, the relationship between the responses obtained by the two methods for all stimuli was approximately the same across the visual field examined here. The unique hue component needed to elicit the color name of “yellow,” “green,” or “blue” is nearly constant along the eccentricity. However, the hue component of “red” is significantly higher than that of the other primary colors, especially at 0°, which suggests the specificity of that color.
Solvent‐free Reactions for the Synthesis of Indolenine‐based Squaraines and Croconaines: Comparison of Thermal Heating, Mechanochemical Milling, and IR Irradiation
Authors: Zappimbulso Nicola , Capozzi Maria Annunziata M. , Porcheddu Andrea , Farinola Gianluca M. , Punzi Angela 
Published: January 2021

AbstractSquaraines and croconaines are organic dyes characterized by intense absorption in the visible or near‐infrared spectral regions with applications ranging from biology to material sciences. They are commonly synthesized by condensation reactions of oxocarbonic acids (squaric or croconic acid, respectively) with electron‐rich aromatic compounds in high‐boiling organic solvents. Here, a simple, cost‐effective, and environmentally benign process was developed for the synthesis of indolenine‐based squaraines and croconaines under solvent‐free conditions. Protocols based on conventional thermal heating, mechanochemical milling, and IR‐light activation were compared.
A p‐p+ Homojunction‐Enhanced Hole Transfer in Inverted Planar Perovskite Solar Cells
Authors: Song Jian , Zhao Liang , Huang Sheng , Yan Xinfeng , Qiu Qinyuan , Zhao Yulong , Zhu Lei , Qiang Yinghuai , Li Hongshi , Li Guoran 
Published: January 2021

AbstractPerovskite solar cells (PSCs) have triggered a research trend in solar energy devices in view of their high power conversion efficiency and ease of fabrication. However, more delicate strategies are still required to suppress carrier recombination at charge transfer interfaces, which is the necessary path to high‐efficiency solar cells. Here, a p–p+ homojunction was constructed on basis of NiO film to enhance hole transfer in an inverted planar perovskite solar cell. The homojunction was generated by fabricating a NiO/Cu:NiO bilayer film. The density functional theory calculation demonstrated the charge density difference in the two layers, which could generate a space charge region and a band bending at the junction, and the result was further proved by energy level structure analysis of NiO and Cu:NiO films. The designed homojunction could accelerate the hole transfer and inhibit carrier recombination at the interface between hole transfer layer and perovskite layer. Finally, the inverted planar perovskite solar cell with p–p+ homojunction showed an efficiency of 18.30 % and a high fill factor of 0.81, which were much higher than the counterpart of the PSCs individually using NiO or Cu:NiO as hole transfer layer. This work developed a new structure of hole transport layer to enhance the performance of PSCs, and also provided new ideas for design of charge transfer films.
Externalizing behavior and stress system functioning in infants exposed to early adversity: A multi‐system exploration
Authors: Frost Allison , Rodriguez Melanie , Imrisek Steven , Dash Allison , Bernard Kristin 
Published: January 2021

AbstractChildren who experience early adversity often show alterations across multiple stress response systems, including the hypothalamic–pituitary–adrenal (HPA) axis and autonomic nervous system (ANS). Changes in the diurnal rhythm of salivary cortisol (a marker of HPA axis functioning) and alpha‐amylase (a marker of ANS functioning) may increase their probability of developing behavior problems. The goal of this study is to examine how these analytes may interact to predict externalizing behavior in infants exposed to early stress. Participants included 179 parents and their 6‐ to 20‐month old infants recruited from a low‐income neighborhood. Parents reported on their infants’ externalizing behaviors and collected saliva samples from their children at wake‐up and bedtime over three days. Diurnal cortisol and alpha‐amylase were modeled using latent difference scores. Four models were tested examining the effects of cortisol and alpha‐amylase morning values and slopes, as well as their interactions, on externalizing behavior. Results showed a significant interaction effect of cortisol and alpha‐amylase morning values, such that low morning cortisol was associated with decreased externalizing behavior when morning alpha‐amylase was high but not low. These findings highlight the importance of examining multiple systems when characterizing the physiological correlates of externalizing behavior among infants experiencing adversity.
Changing the approach to type 2 diabetes treatment: A comparison of glucagon‐like peptide‐1 receptor agonists and sulphonylureas across the continuum of care
Authors: Orsini Federici Marco , Gentilella Raffaella , Corcos Antonella , Torre Enrico , Genovese Stefano 
Published: January 2021

AbstractDespite the importance of individualised strategies for patients with type 2 diabetes mellitus (T2DM) and the availability of alternative treatments, including glucagon‐like peptide‐1 receptor agonists (GLP‐1 RAs), sulphonylureas are still widely used in practice. Clinical evidence shows that GLP‐1 RAs may provide better and more durable glycaemic control than sulphonylureas, with lower risk of hypoglycaemia. Other reported benefits of GLP‐1 RAs include weight loss rather than weight gain (as observed with sulphonylureas), blood pressure reduction and improvement in lipid profiles. In general, the main adverse events with GLP‐1 RAs are gastrointestinal in nature. The respective modes of action of GLP‐1 RAs and sulphonylureas contribute to differences in the durability of glycaemic control (related to effects on beta‐cells) and effects on body weight. Moreover, the glucose‐dependent mode of action of GLP‐1 RAs, which favours a low incidence of hypoglycaemia, contrasts with the glucose‐independent mode of action of sulphonylureas. Evidence from cardiovascular outcomes trials indicates a consistent finding of cardiovascular safety across the GLP‐1 RAs and suggests a class benefit for the long‐acting GLP‐1 RAs in reducing three‐point major adverse cardiovascular events, cardiovascular mortality and all‐cause mortality. In contrast, potential concerns relating to an increased incidence of adverse cardiovascular events with sulphonylureas have yet to be fully resolved. Recent updates to management guidelines recommend that treatment selection for patients with T2DM should consider clinical trial evidence of cardiovascular safety. Available evidence suggests that this selection should give preference to GLP‐1 RAs over sulphonylureas, especially for patients at high cardiovascular risk.
Seedling diversity in actively and passively restored tropical forest understories
Authors: Wills Jarrah , Herbohn John , Wells Jessie , Maranguit Moreno Maria Opelia , Ferraren Angela , Firn Jennifer 
Published: January 2021

AbstractAlternative methods for restoring tropical forests influence the ecological processes that shape recruitment of understory species. In turn, the traits of species recruited will influence the ecological processes the forests provide now and over the long term. We assess the phylogenetic and functional structure of seedlings beneath monoculture plantations, mixed‐species plantations (both active restoration) and regenerating selectively logged native forests (passive restoration), considering traits of specific leaf area (SLA, including within‐species variation), leaf nitrogen and phosphorus content, life‐form, potential plant height, and dispersal type. Monoculture plantations comprised seedlings that were more closely related then would be expected by chance (i.e., phylogenetically clustered), and regenerating forest contained species more distantly related then would be expected by chance (i.e., phylogenetically overdispersed). This suggests that seedlings beneath monocultures assemble through environmental filtering and through the dispersal limitation of predictable functional guilds. However, dispersal limitation is frequently overcome by human‐assisted dispersal, increasing trait diversity. Comparing SLA values revealed that regenerating forests recruit seedlings with both high and low mean and variation of SLA, leading to higher overall diversity. Regenerating forest seedlings showed signs of environmental filtering, only based on within‐species variation of SLA. Regenerating forest understories appear to favor species that show a high intraspecific variation in SLA values (e.g., Pterocarpus indicus Willd.) and at the same time provided habitat for later successional seedlings that show a lower intraspecific variation in SLA (e.g., Canarium luzonicum (Blume) A.Gray). This trait diversity suggests limiting similarity or competitive exclusion may be reduced because of niche differences, allowing species with different traits to coexist. Phylogenetic and functionally distinct species are restricted in their regeneration capacity, many of which are of conservation significance (under the IUCN Red List). Reforestation projects should maximize desired ecological services (including conservation value) by actively managing for the recruitment of species that are phylogenetically and functionally (including intraspecifically) distinct. This management aim will increase the probability of fulfilling a wider array of niche spaces and potentially increase the diversity of ecosystem services provided.
Chemical diversity rather than cultivar diversity predicts natural enemy control of herbivore pests
Authors: Hauri Kayleigh C. , Glassmire Andrea E. , Wetzel William C. 
Published: January 2021

AbstractCultivar mixtures have been studied for decades as a means for pest suppression. The literature, however, shows a large variability in outcomes, suggesting that we are unable to create mixtures that consistently suppress insect pests and attract natural enemies. A key gap in our understanding of how cultivar mixtures influence pest control is that few studies have examined the plant traits or mechanisms by which cultivar diversity affects pests and their interactions with natural enemies. The diversity of plant chemistry in a cultivar mixture is one trait dimension that is likely influential for insect ecology because chemical traits alter how predators and herbivores forage and interact. To understand how plant chemical diversity influences herbivores and their interactions with predators, we fully crossed predator presence or absence with monocultures, bicultures, and tricultures of three chemotypes of tomato that differed in odor diversity (terpenes) or surface chemistry (acyl sugars) in a caged field experiment. We found that the direct effects of plant chemotype diversity on herbivore performance were strongest in bicultures and depended on herbivore sex, and these effects typically acted through growth rather than survival. The effects of chemotype diversity on top‐down pest suppression by natural enemies differed between classes of chemical diversity. Odor diversity (terpenes) interfered with the ability of predators to hunt effectively, whereas diversity in surface chemistry (acyl sugars) did not. Our results suggest that phytochemical diversity can contribute to pest suppression in agroecosystems, but that implementing it will require engineering cultivar mixtures using trait‐based approaches that account for the biology of the pests and natural enemies in the system.
Metabolic and inflammatory reprogramming of macrophages by ONC201 translates in a pro‐inflammatory environment even in presence of glioblastoma cells
Authors: Geiß Carsten , Witzler Claudius , Poschet Gernot , Ruf Wolfram , Régnier‐Vigouroux Anne 
Published: January 2021

AbstractTumor‐associated macrophages facilitate tumor progression and resistance to therapy. Their capacity for metabolic and inflammatory reprogramming represents an attractive therapeutic target. ONC201/TIC10 is an anticancer molecule that antagonizes the dopamine receptor D2 and affects mitochondria integrity in tumor cells. We examined whether ONC201 induces a metabolic and pro‐inflammatory switch in primary human monocyte‐derived macrophages that reactivates their antitumor activities, thus enhancing the onco‐toxicity of ONC201. Contrary to glioblastoma cells, macrophages exhibited a low ratio of dopamine receptors D2/D5 gene expression and were resistant to ONC201 cytotoxicity. Macrophages responded to ONC201 with a severe loss of mitochondria integrity, a switch to glycolytic ATP production, alterations in glutamate transport, and a shift towards a pro‐inflammatory profile. Treatment of macrophages–glioblastoma cells co‐cultures with ONC201 induced similar alterations in glutamatergic and inflammatory gene expression profiles of macrophages. It induced as well metabolic changes and a pro‐inflammatory switch of the co‐culture milieu. However, these changes did not translate into increased onco‐toxicity. This study provides the first evidence that ONC201 affects macrophage immunometabolism and leads to a pro‐inflammatory tumor environment. This speaks in favor of implementing ONC201 in combinatorial therapies and warrants further investigation of the mechanisms of action of ONC201 in macrophages and other immune cells.
The use of benchmark dose uncertainty measurements for robust comparative potency analyses
Authors: Wheeldon Ryan P. , Dertinger Stephen D. , Bryce Steven M. , Bemis Jeffrey C. , Johnson George E. 
Published: January 2021

AbstractThe Benchmark Dose (BMD) method is the favored approach for quantitative dose–response analysis where uncertainty measurements are delineated between the upper (BMDU) and lower (BMDL) confidence bounds, or confidence intervals (CIs). Little has been published on the accurate interpretation of uncertainty measurements for potency comparative analyses between different test conditions. We highlight this by revisiting a previously published comparative in vitro genotoxicity dataset for human lymphoblastoid TK6 cells that were exposed to each of 10 clastogens in the presence and absence (+/−) of low concentration (0.25%) S9, and scored for p53, γH2AX and Relative Nuclei Count (RNC) responses at two timepoints (Tian et al., 2020). The researchers utilized BMD point estimates in potency comparative analysis between S9 treatment conditions. Here we highlight a shortcoming that the use of BMD point estimates can mischaracterize potency differences between systems. We reanalyzed the dose responses by BMD modeling using PROAST v69.1. We used the resulting BMDL and BMDU metrics to calculate “S9 potency ratio confidence intervals” that compare the relative potency of compounds +/− S9 as more statistically robust metrics for comparative potency measurements compared to BMD point estimate ratios. We performed unsupervised hierarchical clustering that identified four S9‐dependent groupings: high and low‐level potentiation, no effect, and diminution. This work demonstrates the importance of using BMD uncertainty measurements in potency comparative analyses between test conditions. Irrespective of the source of the data, we propose a stepwise approach when performing BMD modeling in comparative potency analyses between test conditions.
Multidisciplinary optimal design of prismatic lithium‐ion battery with an improved thermal management system for electric vehicles
Authors: Li Adriel Chi Tak , Li Wei , Chin Christina M. M. , Garg Akhil , Gao Liang 
Published: January 2021

AbstractThe reliability and performance of lithium‐ion battery implemented in electric vehicles is greatly influenced by temperature. However, there is yet to have a systematic battery thermal strategy due to the poor understanding of battery thermal behavior. Although several heat management systems have been proven to be functional in regulating the operating temperature effectively, its capability would be overtaken by the escalating internal resistance due to ageing after a certain period. Hence, an integration of finite element method (FEM) with particle swarm optimization (PSO) approach is proposed, more specifically for phase change material‐based cooling system, by performing multiobjective optimization of battery pack volume and temperature effects. As such, the multidisciplinary design optimization is considered level by level for the battery pack in order to prevent premature ageing. After justifying the lithium‐ion composition, the prismatic battery pack is modeled parametrically and its thermal responses assessed using FEM. The dimension and arrangement of battery cells are assigned as design variables and constrained in a fixed range, which will then be iterated through online optimization whereby the temperature difference, SD and volume are objectives and minimized by using PSO algorithm. The optimization results are summarized: maximum temperature difference is 0.8208383 K, SD is 0.17239 K, and area is 53 082 cm3. The results also imply that the numbers and columns for cells have a significant impact on the effectiveness of heat transfer which may be correlated to its cell dimension.