bluuebunny/crossref_metadata_2025_split huggingface dataset:
CFD simulations of a bubble column containing enhanced oil recovery chemicals
Authors: Orlando Aloisio E. , Haelssig Jan B. , Klein Tania S. , Medronho Ricardo A. 
Published: April 2024

AbstractChemical enhanced oil recovery (EOR) methods return produced water containing polymers and surfactants which poses a water treatment challenge at offshore facilities. The present work shows that numerical simulations of gas‐water systems containing these chemicals remain challenging. Computational fluid dynamics (CFD) was used to predict gas holdup in a laboratory bubble column containing brine and EOR chemicals. The synthetic produced water was treated as non‐Newtonian in the simulations to match the experimentally‐determined physical properties. Two‐ and three‐dimensional numerical simulations were performed, and the latter were shown to be more appropriate through statistical analysis. Three classical drag models were assessed, and the results indicated that none of them could account for the high liquid viscosities and low surface tensions encountered in the system. A modification to the drag model of Tomiyama et al. (1988) was proposed to account for drag increases at low bubble Reynolds numbers when liquid apparent viscosity is high and surface tension is low. The importance of considering the interaction between apparent viscosity and surface tension was also shown through statistical analysis. CFD predictions of gas holdup showed that the proposed drag modification reduced errors from approximately 30% to less than 10% when compared to the experimental data. Radial profiles of the axial liquid velocity were also assessed and are apparently related to gas holdup prediction.
Covalent organic frameworks as novel materials for overcoming key obstacles in lithium metal battery development
Authors: Ghafari Adel , Dashtipour Bahareh , Sam Mahsa , Yeklangi Akbar Ghasemi , Akbari Somayeh 
Published: April 2024

AbstractCovalent organic frameworks (COFs) are emerging as a potential material to the obstacles preventing the broad adoption of lithium metal batteries (LMBs). While these batteries offer a high energy density, they are plagued by challenges including dendrite growth, formation of dead lithium, and generation of an unstable solid electrolyte interphase (SEI). In this contribution, we undertake a comprehensive exploration of COFs, probing their capacity to surmount these hurdles via a spectrum of methodologies. These encompass the development of novel cathode materials, enhancement of the SEI layer, customization of separators, incorporation of electrolyte additives, and adaptation of current collector strategies. We also examine the potential of COFs in solid‐state LMBs, which offer even greater energy storage capability. Peering ahead, the ongoing refinement and advancement of COFs hold the potential to substantially elevate the efficiency and dependability of LMBs, ultimately paving the way for their expanded utilization in critical applications such as electric vehicles and energy storage for power grids.
Alkyl Radical Initiated Cyclization/Cascade for Synthesizing Lactam‐Substituted Alkyl Sulfones
Authors: Wu Li‐Jun , Zhang Kai‐Yi , Yang Pei , Peng Chuan‐Chong , Liu Jin‐Hui , Li Qing , Sun Da‐Zhi , Yin Shuangfeng 
Published: April 2024

Comprehensive SummaryAn alkyl radical initiated cyclization/tandem reaction of alkyl bromides and alkyl electrophiles by using potassium metabisulphite (K2S2O5) as a connector is developed for the synthesis of various lactam‐substituted alkyl sulfones. Notably, this process does not require a metal catalyst or metal powder reductant, highlighting its environmentally friendly features. The reaction demonstrates outstanding substrate adaptability and a high tolerance towards diverse functional groups. Furthermore, the biologically active molecules and commercially available drugs with a late‐stage modification are also highly compatible with this transformation. Mechanistic studies revealed that the reaction proceeds through a single‐step process involving intramolecular radical cyclization, "SO2" insertion, and external alkyl incorporation.
Three Types of Isocoumarins with Unusual Carbon Skeletons from Artemisia dubia var. subdigitata and Their Antihepatoma Activity
Authors: Yang Ke‐Xin , Li Tian‐Ze , Ma Yun‐Bao , Wang Yong‐Cui , Li Feng‐Jiao , Chen Ji‐Jun 
Published: April 2024

Comprehensive SummaryTen novel isocoumarins, including four pairs of enantiomers, were isolated from Artemisia dubia var. subdigitata (Asteraceae). Compounds 1, 2 and 3a/3b possessed a unique 6/6/6‐tricyclic system comprising an unusual 1‐(2‐methylcyclohexyl) propan‐1‐one moiety fused with isocoumarin core skeleton. Compounds 4a/4b were characterized as an unexpected 2,5‐dimethylcyclohexan‐1‐one scaffold, and compounds 5a/5b and 6a/6b were rare 1,2‐seco‐isocoumarin. Their structures and absolute configurations were elucidated through spectroscopic data, X‐ray crystallography, ECD and NMR calculations with DP4+ analyses. Plausible biosynthetic pathways were proposed from the naturally occurring isocoumarin. Network pharmacological analysis suggested that the targets of compound 1 were significantly enriched in the cell cycle and PI3K‐Akt signaling pathway. The molecular docking revealed that compound 1 had high binding affinity with CDK2 (total score: 6.8717). Furthermore, compounds 1 and 2 exhibited inhibitory activity on three human hepatoma cell lines, with inhibitory ratios of 85.1% and 84.5% (HepG2), 88.2% and 87.3% (Huh7), and 69.2% and 69.1% (SK‐Hep‐1) at 200 μmol·L–1, respectively.
Targeted genotyping for recurring variants in cancer susceptibility genes in non‐Ashkenazi Jewish patients with breast cancer diagnosed ≥50 years
Authors: Bernstein‐Molho Rinat , Shhada Narmeen Abu , Laitman Yael , Netzer Iris , Shoval Shelley , Friedman Eitan 
Published: April 2024

AbstractPurposeSeveral recurring pathogenic variants (PVs) in BRCA1/BRCA2 and additional cancer susceptibility genes are described in the ethnically diverse Israeli population. Since 2019, testing for these recurring PVs is reimbursed unselectively for all patients with breast cancer (BC) in Israel. The aim was to evaluate the yield of genotyping for these PVs in non‐Ashkenazi Jewish (AJ) patients with BC diagnosed ≥age 50 years.MethodsClinical and genotyping data of all patients with BC undergoing oncogenetic counseling at the Oncology Institute at Sheba Medical Center from June 2017 to December 2023 were reviewed.ResultsOf 2706 patients with BC (mean age at diagnosis, 54 years; range, 20–92 years) counseled, 515 patients of non‐AJ (all four grandparents) descent, diagnosed ≥age 50 years of age were genotyped, 55 with triple‐negative BC (TNBC) and 460 with non‐TNBC. One of the recurring PVs in BRCA1/BRCA2 were detected in 12.7% (7/55) of TNBC patients and 0.65% (3/460) of non‐TNBC. One patient with non‐TNBC had PMS2 PV. Low‐penetrance variants were found in 2.5% of genotyped TNBC and in 3.7% of patients with non‐TNBC, including CHEK2 c.499G>A (n = 3), APC c.3920T > A (n = 4), and heterozygous MUTYH c.1187G>A (n = 5). Following first‐pass genotyping, 146 patients performed multigene panel testing, none carried a BRCA1/BRCA2 PV, and only 5/127 non‐TNBC (3.9%) harbored PVs in CHEK2 (n = 2, c.846+1G>C and c.592+3A>T), ATM c.103C>T (n = 2), and NBN c.966C>G (n = 1).ConclusionsThe observed low rates of PV detection in non‐AJ non‐TNBC cases ≥age 50 years at diagnosis, mostly for clinically insignificant variants, questions the justification of unselected genotyping in this subset of patients.
Brain surface morphology and ecological and macroevolutionary inferences of avian New World suboscines (Aves, Passeriformes, Tyrannides)
Authors: Demmel Ferreira María Manuela , Degrange Federico Javier , Tirao Germán Alfredo 
Published: April 2024

AbstractThe New World suboscines (Passeriformes and Tyrannides) are one of the biggest endemic vertebrate radiations in South America, including the families Furnariidae and Tyrannidae. Avian brain morphology is a reliable proxy to study their evolution. The aim of this work is to elucidate whether the brains of these families reflect the ecological differences (e.g., feeding behavior) and to clarify macroevolutionary aspects of their neuroanatomy. Our hypotheses are as follows: Brain size is similar between both families and with other Passeriformes; brain morphology in Tyrannides is the result of the pressure of ecological factors; and brain disparity is low since they share ecological traits. Skulls of Furnariidae and Tyrannidae were micro‐computed tomography–scanned, and three‐dimensional models of the endocast were generated. Regression analyses were performed between brain volume and body mass. Linear and surface measurements were used to build phylomorphospaces and to calculate the amount of phylogenetic signal. Tyrannidae showed a larger brain disparity than Furnariidae, although it is not shaped by phylogeny in the Tyrannides. Furnariidae present enlarged Wulsts (eminentiae sagittales) but smaller optic lobes, while in Tyrannidae, it is the opposite. This could indicate that in Tyrannides there is a trade‐off between the size of these two visual‐related brain structures.
Evaluate the in vitro effect of anthracycline and alkylating cytophosphane chemotherapeutics on dopaminergic neurons
Authors: Desai Darshini , Majrashi Mohammed , Pathak Suhrud , Almaghrabi Mohammed , Liu Keyi , Pondugula Satyanarayana R. , Tiwari Amit K. , Babu R. Jayachandra , Deruiter Jack , Dhanasekaran Muralikrishnan 
Published: April 2024

AbstractBackgroundIatrogenesis is an inevitable global threat to healthcare that drastically increases morbidity and mortality. Cancer is a fatal pathological condition that affects people of different ages, sexes, and races around the world. In addition to the detrimental cancer pathology, one of the most common contraindications and challenges observed in cancer patients is severe adverse drug effects and hypersensitivity reactions induced by chemotherapy. Chemotherapy‐induced cognitive neurotoxicity is clinically referred to as Chemotherapy‐induced cognitive impairment (CICI), chemobrain, or chemofog. In addition to CICI, chemotherapy also causes neuropsychiatric issues, mental disorders, hyperarousal states, and movement disorders. A synergistic chemotherapy regimen of Doxorubicin (Anthracycline‐DOX) and Cyclophosphamide (Alkylating Cytophosphane‐CPS) is indicated for the management of various cancers (breast cancer, lymphoma, and leukemia). Nevertheless, there are limited research studies on Doxorubicin and Cyclophosphamide's pharmacodynamic and toxicological effects on dopaminergic neuronal function.AimThis study evaluated the dopaminergic neurotoxic effects of Doxorubicin and Cyclophosphamide.Methods and ResultsDoxorubicin and Cyclophosphamide were incubated with dopaminergic (N27) neurons. Neuronal viability was assessed using an MTT assay. The effect of Doxorubicin and Cyclophosphamide on various prooxidants, antioxidants, mitochondrial Complex‐I & IV activities, and BAX expression were evaluated by Spectroscopic, Fluorometric, and RT‐PCR methods, respectively. Prism‐V software (La Jolla, CA, USA) was used for statistical analysis. Chemotherapeutics dose‐dependently inhibited the proliferation of the dopaminergic neurons. The dopaminergic neurotoxic mechanism of Doxorubicin and Cyclophosphamide was attributed to a significant increase in prooxidants, a decrease in antioxidants, and augmented apoptosis without affecting mitochondrial function.ConclusionThis is one of the first reports that reveal Doxorubicin and Cyclophosphamide induce significant dopaminergic neurotoxicity. Thus, Chemotherapy‐induced adverse drug reaction issues substantially persist during and after treatment and sometimes never be completely resolved clinically. Consequently, failure to adopt adequate patient care measures for cancer patients treated with certain chemotherapeutics might substantially raise the incidence of numerous movement disorders.
Online streaming feature selection based on hierarchical structure information
Authors: Lin Shuxian , Wang Chenxi , Yu Xiehua , Fang Huirong , Lin Yaojin 
Published: April 2024

SummaryHierarchical classification learning aims to exploit the hierarchical relationship between data categories. The high dimensionality and dynamic of the data feature space are the main challenges of this research. Hierarchical feature selection uses a hierarchical structure to divide large‐scale tasks into multiple small tasks, which can more effectively improve the training speed and prediction accuracy of classification models. To present, existing online feature selection methods ignore the hierarchical structure of data. In addition, the dependency relationships in the hierarchical structure can serve as auxiliary knowledge to aid feature selection. Based on this, this paper proposes an online streaming hierarchical feature selection method based on kernelized fuzzy rough sets (OFS‐HNFRS). First, we use the prior knowledge of the hierarchical structure to divide the sample set into multiple subsets. Second, the dependency relationship of hierarchical structure is extended to kernelized fuzzy rough sets, and hierarchical category dependency based on kernelized fuzzy rough sets is defined. Finally, a new online feature selection framework is proposed, which is used to evaluate the relevance, significance, and redundancy of features. We verify the effectiveness of the proposed algorithm on six hierarchical datasets and eight flat datasets.
Prevention of sleep deprivation attack in MANET using cumulative priority based cluster head selection
Authors: Kumari Ankita , Singh Purushottam , Pranav Prashant , Dutta Sandip , Chakraborty Soubhik 
Published: April 2024

SummaryIn the rapidly evolving domain of Mobile Ad‐hoc Networks (MANETs), where their deployment spans critical military operations to essential organizational communication infrastructures, the pervasive threat of security breaches casts a long shadow on the networks' operational integrity and reliability. Central among these threats are sleep deprivation attacks, a particularly insidious form of cyber aggression that exploits the inherent decentralized and self‐organizing characteristics of MANETs to exhaust the energy reserves of nodes, compromising the network's stability and performance. This paper embarks on a journey to confront this challenge head‐on, introducing a pioneering and holistic defense mechanism that integrates a cumulative priority‐based model for the selection of cluster heads, ingeniously augmented by the principles of Chebyshev's Inequality for optimal load balancing. This novel strategy is designed not only to counteract the direct impacts of sleep deprivation attacks but also to address the underlying vulnerabilities of MANETs that these attacks exploit. Through a rigorous series of simulations, conducted across a spectrum of network scenarios to test the resilience and adaptability of our proposed model, we have observed a commendable success rate of 98% in neutralizing sleep deprivation attacks. By leveraging the dynamic nature of MANETs and integrating advanced statistical methods for load distribution and cluster management, our model offers a robust framework that significantly improves network performance and energy efficiency. This, in turn, fosters a more sustainable and reliable network environment, crucial for the high‐stakes applications MANETs support. By championing a comprehensive and adaptable approach to security, this study promises to reinstate user trust and ensure the continued reliability of these indispensable networks, securing their place as a cornerstone of modern communication infrastructure in the face of evolving cyber threats.
Adaptability of Heteropolytungstate Anions as Efficient Anode Redox Mediators in Redox Flow Polymer Electrolyte Fuel Cells
Authors: Naruse Shinji , Muroyama Hiroki , Matsui Toshiaki , Eguchi Koichi 
Published: April 2024

AbstractHeteropolyanions (HPAs) are known as the candidate for an anode redox mediator for redox flow polymer electrolyte fuel cells (PEFCs). The electrochemical properties of HPAs differ depending on the transition elements and heteroatoms in HPAs. For example, heteropolytungstate anions (W−HPAs), in which the transition element is tungsten, have a lower one‐electron reduction potential than other HPAs. Therefore, it has been reported that redox flow PEFCs adapted with W−HPAs exhibit high power generation performance. On the other hand, studies on the heteroatoms of HPAs are limited only to electrochemical properties, and statistical and comprehensive studies on the power generation performance of redox flow PEFCs are lacking. Thus, it is beneficial to clarify the optimal heteroatom in order to design anolytes suitable for redox flow PEFCs. In this study, heteropolytungstate anions with different heteroatoms were adapted as anodic redox mediators in a redox flow PEFC. In power generation tests, the redox flow PEFC with an anolyte of zinctungstate anion showed the highest performance. Zinctungstate anion exhibited the fastest reduction and oxidation rates among the W−HPAs investigated in this study.
Magnetically Recyclable Borane Lewis Acid Catalyst for Hydrosilylation of Imines and Reductive Amination of Carbonyls
Authors: Saptal Vitthal B. , Ranjan Prabodh , Zbořil Radek , Nowicki Marek , Walkowiak Jędrzej 
Published: April 2024

AbstractFluorinated arylborane‐based Lewis acid catalysts have shown remarkable activity and serve as ideal examples of transition metal‐free catalysts for diverse organic transformations. However, their homogeneous nature poses challenges in terms of recyclability and separation from reaction mixtures. This work presents an efficient technique for the heterogenization of boron Lewis acid catalysts by anchoring Piers’ borane to allyl‐functionalized iron oxide. This catalyst demonstrates excellent activity in the hydrosilylation of imines and the reductive amination of carbonyls using various silanes as reducing agents under mild reaction conditions. The catalyst exhibits broad tolerance towards a wide range of functional substrates. Furthermore, it exhibits good recyclability and can be easily separated from the products using an external magnetic field. This work represents a significant advance in the development of sustainable heterogenous metal‐free catalysts for organic transformations.
CO2 Valorization in Deep Eutectic Solvents
Authors: Guo Zhenbo , Zhang Zhicheng , Huang Yuchen , Lin Tianxing , Guo Yixin , He Liang‐Nian , Liu Tianfei 
Published: April 2024

AbstractThe deep eutectic solvent (DES) has emerged in recent years as a valuable medium for converting CO2 into valuable chemicals because of its easy availability, stability, and safety, and its capability to dissolve carbon dioxide. CO2 valorization in DES has evolved rapidly over the past 20 years. As well as being used as solvents for acid/base‐promoted CO2 conversion for the production of cyclic carbonates and carbamates, DESs can be used as reaction media for electrochemical CO2 reduction for formic acid and CO. Among these products, cyclic carbonates can be used as solvents and electrolytes, carbamate derivatives include the core structure of many herbicides and pesticides, and formic acid and carbon monoxide, the C1 electrochemical products, are essential raw materials in the chemical industries. An overview of the application of DESs for CO2 valorization in recent years is presented in this review, followed by a compilation and comparison of product types and reaction mechanisms within the different types of DESs, and an outlook on how CO2 valorization will be developed in the future.
Advancing precision medicine through single‐cell sequencing: Insights and implications
Authors: Zhang Xu , Gao Rongrong , Yang Liuke , Zhu Youwei , Zhang Tiancheng , Shen Xiaorong , Gu Wenwen , Yang Long , Peng Shenjie 
Published: April 2024

AbstractBackgroundSingle‐cell sequencing (SCS) marks the advent of a transformative period in biomedical studies, enabling unprecedented insight into the cellular intricacies of health and disease.MethodsBy dissecting the genetic, epigenetic and proteomic landscapes at the single‐cell level, SCS transcends traditional bulk sequencing methodologies, illuminating the heterogeneity and dynamics of individual cells.ResultsThis analytical leap facilitates a deeper understanding of disease mechanisms, offers novel diagnostic and therapeutic targets and underpins the development of precision medicine across diverse fields such as neurology, oncology and immunology.ConclusionsDespite its profound potential, SCS encounters challenges, including complex sample preparation, sophisticated data analysis and cost considerations. Nevertheless, ongoing advancements promise to overcome these barriers, integrating SCS with other omics data and leveraging machine learning to enhance biological understanding and clinical application. With the advancement of SCS technologies, personalised healthcare might be fundamentally altered, facilitating tailored and efficacious treatment strategies.
Historical fragmentation and stepping‐stone gene flow led to population genetic differentiation in a coastal seabird
Authors: Harkness Bronwyn A. S. , Ibarguchi Gabriela , Poland Veronica F. , Friesen Vicki L. 
Published: April 2024

AbstractUnderstanding the forces that shape population genetic structure is fundamental both for understanding evolutionary trajectories and for conservation. Many factors can influence the geographic distribution of genetic variation, and the extent to which local populations differ can be especially difficult to predict in highly mobile organisms. For example, many species of seabirds are essentially panmictic, but some show strong structure. Pigeon Guillemots (Cepphus columba; Charadriiformes: Alcidae) breed in small colonies scattered along the North Pacific coastline and feed in shallow nearshore waters year‐round. Given their distribution, gene flow is potentially lower and population genetic structure is stronger than in most other high‐latitude Northern Hemisphere seabirds. We screened variation in the mitochondrial control region, four microsatellite loci, and two nuclear introns in 202 Pigeon Guillemots representing three of five subspecies. Mitochondrial sequences and nuclear loci both showed significant population differences, although structure was weaker for the nuclear loci. Genetic differentiation was correlated with geographic distance between sampling locations for both the mitochondrial and nuclear loci. Mitochondrial gene trees and demographic modeling both provided strong evidence for two refugial populations during the Pleistocene glaciations: one in the Aleutian Islands and one farther east and south. We conclude that historical fragmentation combined with a stepping‐stone model of gene flow led to the relatively strong population differentiation in Pigeon Guillemots compared to other high‐latitude Northern Hemisphere seabird species. Our study adds to growing evidence that Pleistocene glaciation events affected population genetic structure not only in terrestrial species but also in coastal marine animals.