bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, Characterization, Molecular Docking and in vitro Anticancer Screening of Some Novel Thiophene Derivatives
Authors: Patel Ashish K. , Patel Purvesh R. , Patel Bhavin H. , Shah Ujashkumar A , Soni Jigar Y. , Valand Nikunj , Teli Divya M. , Soni Hemal , Patel Manish B 
Published: February 2023

AbstractOne of the diseases in the 21stcentury is still cancer and there is significant research being done all over the world to find a medicine that is more effective and has fewer adverse effects. More than 19 million new cases of cancer have been reported by global statistics and an estimated 10 million people have died from it in 2020. We continue to work on the development of new pharmacological entities because we are motivated in the research area. We have created novel thiophene derivatives and have screened them against the U87‐MG cell line to see whether they have any anticancer properties. It was observed that the AP‐C12 extract showed the highest inhibition in the U87‐MG cell line (EC50: 9.1 μM) which was a very good comparison to Temozolomide (EC50: 61.2 μM). Similarly, AP‐C7 exhibited considerable potency against the U87‐MG cell line with EC50values of 12.3 μM.
Production and Characterization of Bio‐based Sponges Reinforced with Hypericum perforatum oil (St. John′s Wort Oil) via Pickering Emulsions for Wound Healing Applications
Authors: Nur Parin Fatma , Deveci Sinan 
Published: February 2023

AbstractHypericum perforatum oil (HPO) was known as Saint John′s wort oil which has antibacterial properties for medicinal applications. (topically to heal wounds). In this study, Pickering sponges containing HPO have been stabilized using β‐cyclodextrin (β‐CD) natural substance while Polyvinyl alcohol/sodium carboxymethyl cellulose (PVA/CMC) polymer matrices. The β‐CD/HPO inclusion complexes were added to the PVA/CMC sponges in various ratios (1 : 1, 1 : 4, and 1 : 8) and morphological, thermal and physical properties of sponges were investigated based on the ratios. SEM images revealed all Pickering PVA/CMC/HPO sponges has good porosity and PVA/CMC sponges containing (1 : 8 w/v) of β‐CD/HPO indicated the highest porosity. Furthermore, existence of HPO in the sponges were confirmed by FT‐IR analysis. Similarly, thermal stability is increased as the β‐CD/HPO increased. Contact angle value rise from 12.7° to 89.9° as HPO concentration increased, and this value is the ideal hydrophobicity for the skin. Antibacterial efficiency showed good antibacterial activities of Pickering sponges containing the highest amount of HPO (1 : 8 w/v of β‐CD/HPO) against Gram (−) (Escherichia coli), and Gram (+) (Staphylococcus aureus, P. aeruginosa) bacteria with 13–17 mm zone inhibition diameter. All samples showed biocompatibility, and the material with the lowest amount of HPO (1 : 1 w/v of β‐CD/HPO) having the best biocompatibility. The increase in the HPO amount in Pickering sponges caused a decrease in mechanical properties. As a result, the resulting PVA/CMC/HPO Pickering sponges can be utilized in wound dressing applications owing to their imroved antibacterial activity results.
Nanoparticles Mimicking Oxidase Activity and their Application in Synthesis of Neurodegenerative Therapeutic Drug L‐DOPA
Authors: Noori Rubia , Ali Juned , Mirza Kainat , Sardar Meryam 
Published: February 2023

AbstractNanozymes are nanomaterials with intrinsic enzyme‐like activity and show high operational stability as compared to native enzymes. They have gathered the attention of researchers due to their unique physico‐chemical properties and diverse applications. In the present study, screening of different nanoparticles (zinc oxide, iron oxide, selenium and titanium oxide) was performed to evaluate their polyphenol oxidase (PPO) activity. PPO is a biotechnologically important enzyme and its application includes wastewater treatment, food processing and synthesis of l‐3,4‐dihydroxyphenylalanine (L‐dopa, a precursor of dopamine neurotransmitter). Out of all nanoparticles used in this study, zinc oxide nanoparticles (ZnO NPs) showed maximum enzyme activity of 75 %. ZnO NPs demonstrated high thermal stability and can be used upto 80°C. The colloidal solution of nanoparticles showed storage stability upto 6 months at room temperature and showed high activity in the pH range of 6–9 as compared to free enzyme. The nanoparticles were reused till 6th cycle retaining more than 80 % oxidase activity. To study its potential as a catalyst, it was used for the synthesis of L‐dopa from L‐tyrosine and a good productivity of 100 mg/L (0.1 g/L) was obtained. Thus, ZnO nanozymes can be used as an alternate to oxidase enzyme for synthesis of this therapeutic drug.
An Experimental and Theoretical Study of the Conformational Stability of Triazinone Fleximers: Quantitative Analysis for Intermolecular Interactions
Authors: Kumar Akhilesh , Singh Praveen , Kumar Ranjeet , Yadav Priyanka , Jaiswal Amit , Kumar Tewari Ashish 
Published: February 2023

AbstractSynthesis and characterization of triazinone based propylene linked phthalimide and benzimidazole have been carried out for conformational analysis and the study of their quantitative intermolecular interactions. The conformational analyses have been calculated by X‐ray crystallography in the solid state and theoretical calculations in the gaseous state. From the crystal structure and theoretical calculations we have found that all compounds are stable in the folded conformation. These stable conformations are stabilized by different intra and intermolecular interactions, such as C−H⋯O, C−H⋯N, C−H⋯π and π⋯π. Quantitative intermolecular interactions and interactions energy calculations of both compounds have been carried out by Hirshfeld surface analysis.
Magnetic Dispersive Solid‐phase Extraction of Nicosulfuron using Surface Immobilized Molecularly Imprinted Polymer by RAFT Polymerization on Fe3O4/Graphene Oxide Nanosheets
Authors: Piryaei Marzieh , Abolghasemi Mir Mahdi , Jodatvand Sayna 
Published: February 2023

AbstractIn the present work, a new surface‐immobilized molecularly imprinted polymer (MIP) on magnetic graphene oxide adsorbent have been prepared based on reversible addition fragmentation chain transfer (RAFT) polymerization method. Surface‐modified graphene oxide (GO) by Fe3O4 Magnetic nanoparticles allowed for the preparation of the required magnetic nanocomposite and then thin layer of molecularly imprinted polymer containing template (nicosulfuron) was attached on surface of grapheme oxide with covalent immobilization. The synthesized MIP/Fe3O4/GO nanocomposite was used as efficient sorbent for magnetic dispersive solid extraction phase (MDSPE) of nicosulfuron herbicide in water samples. The linearity range of 0.01–100 μg mL−1 of the method was obtained under optimal extraction conditions. The low relative standard deviation (5.3 %) indicated good repeatability and satisfactory percent recovery value (99.7 %) demonstrated the applicability and selectivity of proposed method to waste water samples.
Single‐walled Carbon Nanotubes Dispersed by CO2 Responsive Surfactants for Fabricating High Conductive Epoxy Composites
Authors: Tang Weishan , Shen Yunpeng , Yang Peng , Lin Caiyun , Ke Zhijun , Rao Xiaoping 
Published: February 2023

AbstractThe emerging nanomaterials single‐walled carbon nanotube (SWNTs) with large specific surface area, excellent electrical conductivity and high mechanical strength, has been used to fabricate electronic devices. However, the extremely strong π‐π interactions make SWNTs easy to agglomerate, thus limiting their application. In this work, a novel method was applied to disperse SWNTs by using rigid rosin‐based CO2 responsive surfactant rosin acid dimaleimide choline (R‐BMI‐C). When pH 10.4, SWNTs can be uniformly and stably dispersed, and at pH 6.3, SWNTs aggregated. The dispersed SWNTs was then integrated into diglycidyl ether of bis phenol A (DGEBA) to fabricate high conductive epoxy composites. Their properties were characterized by SEM, TG, high resistivity meters, etc.. The results showed that the modified SWNTs/DGEBA composites obtained an ultra‐low percolation threshold (0.025 wt.%). Compared with the original SWNTs/DGEBA composite, its tensile strength and elastic modulus were enhanced by 17 % and 96 %, respectively, when the SWNTs content was 0.5 wt.%.
Synthesis of Complex Ureas with Brominated Heterocyclic Intermediates
Authors: Vargas Darío A. , Santiago Cintia C. , Cánepa Alicia S. 
Published: February 2023

AbstractHerein we present an efficient method to synthesize novel complex ureas from simple ureas, with potential pharmacological activity. First, 3‐methylindole ketones are protected via a two‐phase N‐tosylation reaction catalyzed by NBu4HSO4 as the PTC. Second, an NBS bromination of the terminal methyl group is performed with high selectivity and very good yields. Finally, complex novel and promising ureas are synthesized in 46 %–92 % yields using non‐base‐catalyzed substitution reactions with simple monosubstituted and disubstituted ureas. All products were easily purified through column chromatography and/or crystallization. The overall procedure produces very high yields and selectivity for bromination.
Sulfated Polyborate Catalyzed Improved Synthesis of Enamines and Enaminones Based Intermediates of Imatinib, Nilotinib and Ocinaplon**
Authors: Bandivadekar Priyanka V. , Gavali Kanchan D. , Chaturbhuj Ganesh U. 
Published: February 2023

AbstractAn activation of methyl ketones or active methylenes and N, N‐dimethylformamide dimethyl acetal at 110 °C by sulfated polyborate under solvent‐free conditions has been developed for enamines and enaminones synthesis. Selected Brønsted acid, optimized reaction conditions, and easy separation method lead to 82–97 % yield, making this process cost‐effective and eco‐friendly. We chose boric acid for scale‐up activity in the interest of readers and industries. The optimized reaction condition was applied to demonstrate a 10 gram scale for the intermediate of Imatinib and Nilotinib with an 80 % from 3‐acetylpyridine. This method is extendable to produce Ocinaplon intermediate with 80.6 % yield using 4‐acetyl pyridine as starting material.
Direct C−H Arylation of Quinoxalin‐2(H)‐ones with Arylhydrazine hydrochlorides
Authors: Liang Yue‐Pei , He Ya‐Nan , Jiang Ze‐Qun , Yang Li‐Hua , Xie Long‐Yong 
Published: February 2023

AbstractA convenient and base promoted methodology for the synthesis of 3‐arylquinoxalin‐2(1H)‐ones through direct C−H arylation of quinoxalin‐2(H)‐ones with arylhydrazine hydrochlorides was developed. Preliminary studies suggest that the reaction undergoes an aryl radical participation process generated via oxidative denitrogenation of arylhydrazine under ambient air atmosphere.
Synthesis of Tris[2‐(dimethylamino)ethyl]amine with Regiospecific Deuterium Labels
Authors: Sobieski Julian , Ruzhylo Illia , Szczepaniak Grzegorz , Gorczyński Adam , Matyjaszewski Krzysztof , Manoury Eric , Poli Rinaldo 
Published: February 2023

AbstractSimple synthetic routes to regioselectively deuterated tris[2‐(dimethylamino)ethyl]amine (Me6TREN) variants are described. Imine formation with formaldehyde‐d2 from tris(2‐aminoethyl)amine (TREN) and subsequent reductions with NaBD4 afforded N[CH2CH2N(CD3)2]3 or d18‐Me6TREN in 79 % yield. A trisubstitution protocol from 2‐bromo‐N,N‐dimethylacetamide and ammonium carbonate and subsequent reduction of the N(CH2CONMe2)3 intermediate by lithium aluminum deuteride has afforded N[CH2CD2N(CH3)2]3 or (d6‐arm)‐Me6TREN in three steps and 52 % overall yield. A similar protocol from 2‐bromo‐N,N‐dimethyl‐d2‐acetamide, obtained in two steps from d4‐acetic acid, with reduction of the N(CD2CONMe2)3 intermediate by lithium aluminum hydride has afforded N[CD2CH2N(CH3)2]3 or (d6‐cap)‐Me6TREN in four steps and 13 % overall yield from CD3COOD.
A Magneto‐Heated Silk Fibroin Scaffold for Anti‐Biofouling Solar Steam Generation
Authors: Xing Hanye , Song Yonghong , Xu Hao , Chen Sheng , Li Kangkang , Dong Liang , Wang Bao , Xue Jingzhe , Lu Yang 
Published: February 2023

AbstractMacroscopic 3D porous materials are ideal solar evaporators for water purification. However, the limited sunlight intensity and penetrating depth during solar‐driven evaporation cannot prevent the biofouling formation by photothermal effect, thus leading to the deterioration of evaporation rate. Herein, a magnetic heating strategy is reported for anti‐biofouling solar steam generation based on a magnetic silk fibroin (SF) scaffold with bi‐heating property. Under one sun, the solar‐heated top surface of magnetic SF scaffolds accelerates water evaporation at 2.03 kg m−2 h−1, while the unheated inner channels suffer from the formation of biofilm. When exposed to alternating magnetic field (AMF), the magnetic SF scaffold can be integrally heated, leading to an efficient inner temperature to prevent biofouling in channels for water transportation. Accordingly, magneto‐heated scaffolds show steady water evaporation rates after exposure to S. aureus and E. coli, which maintained 93.6–94.6% of original performance. In contrast, the evaporation rates of the scaffolds without AMF treatment are reduced to 1.31 (S. aureus) and 1.32 (E. coli) kg m−2 h−1, decreased by 35.5% and 35.0%, respectively. In addition, the magneto‐heated scaffold inhibits biofouling formation in natural lake water, maintaining 99.5% original performance.
The Dual‐Site Adsorption and High Redox Activity Enabled by Hybrid Organic‐Inorganic Vanadyl Ethylene Glycolate for High‐Rate and Long‐Durability Lithium–Sulfur Batteries
Authors: Xiao Wei , Kiran Gundegowda Kalligowdanadoddi , Yoo Kisoo , Kim Jong‐Hoon , Xu Hengyue 
Published: February 2023

AbstractTransition metal oxides (TMOs) have attracted considerable attention owing to their strong anchoring ability and natural abundance. However, their single‐site adsorption toward sulfur (S) species significantly lowers the possibility of S species reacting with Li+ in the electrolyte and increases the reaction barrier. This study investigates molecular modification by coupling the TMO structure with Li+ conductive polymer ligands, and vanadyl ethylene glycolate (VEG) is successfully synthesized by introducing organic ligands into the VOx crystal structure. In addition to the strong interaction between the VOx and lithium polysulfides via the V–S bond, the groups in the VEG polymer ligands can reversibly couple/decouple with Li+ in the electrolyte. Such dual‐site adsorption enables a smooth dynamic adsorption‐diffusion process. Accordingly, the VEG‐based Li–S cells exhibit excellent rate reversibility, cyclic stability, and a long cycle life without the addition of conducting agents. Encouragingly, the VEG‐based cells also exhibit close and excellent capacity decays of 0.081%, 0.078%, and 0.095% at 0, 25, and 50 °C (1 C for 200 cycles), respectively. This work provides a novel approach for developing advanced catalysts that can realize Li–S batteries with long‐term durability, fast charge‐discharge properties, and applications in a wide temperature range.
Intersectionality and solidarity in racial justice activism
Authors: Sun Jonathon C. , Wong Kristen N. , Yu Victoria 
Published: February 2023

AbstractThis article explores intersectionality and solidarity in racial justice activism. Intersectionality is important for building solidarity and critiquing the structures that make racial justice activism necessary. Through framing intersectionality, situating students’ role in racial justice activism, and exploring challenges to forge solidarity, we offer considerations and recommendations for practice.
Human factors hazard modeling in the systems modeling language
Authors: Birch Dustin S. , Narsinghani Jayesh , Herber Daniel , Bradley Thomas H. 
Published: February 2023

AbstractAn ongoing challenge within the field of Systems Engineering is the application of a right‐scoped and consistent approach to modeling human functions and risks within a system lifecycle. Humans interacting with a system can be modeled along a continuum from passive agents with not well‐defined interfaces with the system operations, to essential personnel who are responsible for dynamic interactions that ensure the safety and correct function of the system. This paper seeks to contribute to the integration of a model of human function, response, and reliability into the systems engineering of a complicated system through translation of a Human Factors Hazard Model (HFHM) into the Systems Modeling Language (SysML). The HFHM is constructed as a sequential event tree model of human response to triggering events, where each event's likelihood of failure is modeled by a set of fault trees predicting human failure probabilistically using Human Error Probabilities (HEP). Implementation of this model in SysML is demonstrated through a set of stereotyped structural, behavioral, and parametric diagrams. Integration of the HFHM within SysML demonstrates the benefits of human factors modeling and integration into Model‐Based Systems Engineering (MBSE) processes illustrating executability, reusability, and traceability.
Behavioural disorder in a dog with congenital agenesis of the vomeronasal organ and the septum pellucidum
Authors: Muñiz‐de Miguel Susana , Barreiro‐Vázquez José Daniel , Sánchez‐Quinteiro Pablo , Ortiz‐Leal Irene , González‐Martínez Ángela 
Published: February 2023

ABSTRACTA 1.5‐year‐old, entire male mongrel dog with a bifid nose and primary cleft palate showed aggressiveness towards unknown dogs despite having adequate canine socialisation and the absence of previous traumatic experiences; furthermore, he does not exhibit sexual behaviour towards females in heat. He was previously treated for fear‐related aggression towards unknown people and environmental phobia due to poor human socialisation. Pharmacological treatment with fluoxetine and trazodone, together with behaviour modification, was started without success. Therefore, it was decided to repeat medical tests. CT and MRI revealed a rostral middle raphe ossification defect incompatible with the presence of the vomeronasal organ (VNO) and the absence of the septum pellucidum (SP). The dog was presumptively diagnosed with aggressiveness towards unknown dogs due to an organic cause, a congenital anomaly with agenesis of the VNO and SP. This case shows the importance of both structures in the regular intraspecific interactions of dogs.
The use of multiplex imaging techniques to characterize tuberculous granuloma heterogeneity
Authors: Xu Ruiyao , Xiao Wei , Ding Guanggui , Zeng Jiang , Liu Hui , Cai Yi , Chen Xinchun 
Published: February 2023

AbstractCaseous granulomas are pathological hallmarks of tuberculosis (TB), and increasing evidence suggests that TB granuloma composition is highly temporally and spatially heterogenous in both animal models and humans. Traditional pathological techniques are limited in their ability to reveal the heterogeneity present in TB granulomas. Multiplex tissue imaging tools combined with powerful, high resolution spatial analysis have enabled the detection of various cell phenotypes, aiding in the visualization of the granuloma complex and revealing the interactions between immune cells and nonimmune cells. This updated understanding of tuberculous granuloma heterogeneity offers vital insights for researchers aiming to uncover the immunoregulatory mechanisms underlying granuloma formation during TB pathogenesis. More detailed granuloma classification systems will also be of use for precision medicine, and for identifying biological targets for host‐directed therapeutics in TB patients.This article is categorized under:
Infectious Diseases > Genetics/Genomics/Epigenetics
Infectious Diseases > Biomedical Engineering
Infectious Diseases > Molecular and Cellular Physiology
The Kernelized Taylor Diagram
Authors: Wickstrøm Kristoffer , Johnson J. Emmanuel , Løkse Sigurd , Camps-Valls Gustau , Mikalsen Karl Øyvind , Kampffmeyer Michael , Jenssen Robert 
Published: February 2023

AbstractThis paper presents the kernelized Taylor diagram, a graphical framework for visualizing similarities between data populations. The kernelized Taylor diagram builds on the widely used Taylor diagram, which is used to visualize similarities between populations. However, the Taylor diagram has several limitations such as not capturing non-linear relationships and sensitivity to outliers. To address such limitations, we propose the kernelized Taylor diagram. Our proposed kernelized Taylor diagram is capable of visualizing similarities between populations with minimal assumptions of the data distributions. The kernelized Taylor diagram relates the maximum mean discrepancy and the kernel mean embedding in a single diagram, a construction that, to the best of our knowledge, have not been devised prior to this work. We believe that the kernelized Taylor diagram can be a valuable tool in data visualization.
An Overview of Artificial Intelligence Used in Malware
Authors: Fritsch Lothar , Jaber Aws , Yazidi Anis 
Published: February 2023

AbstractArtificial intelligence (AI) and machine learning (ML) methods are increasingly adopted in cyberattacks. AI supports the establishment of covert channels, as well as the obfuscation of malware. Additionally, AI results in new forms of phishing attacks and enables hard-to-detect cyber-physical sabotage. Malware creators increasingly deploy AI and ML methods to improve their attack’s capabilities. Defenders must therefore expect unconventional malware with new, sophisticated and changing features and functions. AI’s potential for automation of complex tasks serves as a challenge in the face of defensive deployment of anti-malware AI techniques. This article summarizes the state of the art in AI-enhanced malware and the evasion and attack techniques it uses against AI-supported defensive systems. Our findings include articles describing targeted attacks against AI detection functions, advanced payload obfuscation techniques, evasion of networked communication with AI methods, malware for unsupervised-learning-based cyber-physical sabotage, decentralized botnet control using swarm intelligence and the concealment of malware payloads within neural networks that fulfill other purposes.
Axion dark matter from frictional misalignment
Authors: Papageorgiou Alexandros , Quílez Pablo , Schmitz Kai 
Published: February 2023

AbstractWe study the impact of sphaleron-induced thermal friction on the axion dark-matter abundance due to the interaction of an axion-like particle (ALP) with a dark non-abelian gauge sector in a secluded thermal bath. Thermal friction can either enhance the axion relic density by delaying the onset of oscillations or suppress it by damping them. We derive an analytical formula for thefrictional adiabatic invariant, which remains constant along the axion evolution and which allows us to compute the axion relic density in a general set-up. Even in the most minimal scenario, in which a single gauge group is responsible for both the generation of the ALP mass and the friction force, we find that the resulting dark-matter abundance from the misalignment mechanism deviates from the standard scenario for axion massesma≳ 100 eV. We also generalize our analysis to the case where the gauge field that induces friction and the gauge sector responsible for the ALP mass are distinct and their couplings to the axion have a large hierarchy as can be justified by means of alignment or clockwork scenarios. We find that it is easy to open up the ALP parameter space where the resulting axion abundance matches the observed dark-matter relic density both in the traditionally over- and underabundant regimes. This conclusion also holds for the QCD axion.