bluuebunny/crossref_metadata_2025_split huggingface dataset:
Employing acetoacetamide as a key synthon for synthesizing novel thiophene derivatives and assessing their potential as antioxidants and antimicrobial agents
Authors: Almatari Altaf S. , Saeed Ali , Abdel‐Ghani Ghada E. , Abdullah Mahmood M. S. , El‐Demerdash Amr , Abdel‐Latif Ehab 
Published: May 2024

AbstractThe objective of this study is to synthesize novel heterocyclic scaffolds containing a thiophene moiety using easily accessible acetoacetamide as a key synthon. The reaction of acetoacetamide with diazonium salts resulted in the formation of the corresponding thiophene derivatives 4a–c. Additionally, the reaction of acetoacetamide derivative 3 with malononitrile, ethyl cyanoacetate, or 2‐cyanoacetamide, along with elemental sulfur, under refluxing in dioxane containing triethylamine afforded thiophene‐containing derivatives 5a–c. Furthermore, compound 3 reacted with phenyl isothiocyanate in dry dimethylformamide and K2CO3 to yield compound 7. In situ alkylation of the non‐isolable salt 6 was achieved by the addition of methyl iodide, resulting in the formation of methylthio‐thiophene‐2‐carboxamide 8. Compound 7 was employed with numerous alpha‐halogenated reagents in ethanol, affording thiazole derivative 9 and thiophene derivatives 10a and 10b, respectively. Moreover, compound 8 was reacted with hydrazine to produce the 1H‐pyrazole‐4‐carboxamide derivative 11. Additionally, refluxing acetoacetamide derivative 3 with malononitrile and/or ethyl cyanoacetate in dioxane, in the presence of catalytic amount of triethylamine afforded 4‐imino‐3,7‐dimethyl‐4H‐pyrido[1,2‐a]thieno[3,2‐e]pyrimidin‐9(5H)‐one derivatives 12a and 12b. Furthermore, the reactivity of acetoacetamide derivative 3 with 2‐cyanoacetohydrazide was investigated through refluxing the reactants in dioxane, which subsequently yielded the corresponding cyanoacetamide derivative 13. The chemical identity of the newly synthesized compounds was determined by employing infrared spectroscopy (IR), 1H NMR, and 13C NMR techniques. Newly synthesized heterocycles incorporating thiophenes were evaluated for their antioxidant and antimicrobial potentials. Notably, thiophene scaffolds 5a, 10b, 11, and 13 displayed notable antioxidant and antimicrobial activities.
Climatology of thermodynamic indices and background synoptic conditions responsible for severe convection during pre‐ to post‐monsoon seasons over Indian region
Authors: Madhulatha A. , Mohapatra M. , Devi K. Sathi , Pattanaik D. R. , Rajeevan M. , Das Anand Kumar , Jenamani R. K. , Kumar Naresh 
Published: May 2024

AbstractTo investigate the mechanisms responsible for severe convection linked with a variety of mesoscale, synoptic systems over the Indian region, a preliminary analysis is conducted. Using IMD RSRW/Reanalysis (ERA5)/Lightning (TRMM LIS) products both local‐scale thermodynamics and large‐scale background conditions responsible for the major lightning hot spots in different seasons are investigated. In the pre‐monsoon season, high lightning activity over NE Indian region is due to moisture intrusion by south‐westerly at lower levels (warm air advection), along with mid‐level north westerlies (cold air advection) which favour the low‐level convergence and upper‐level divergence. SCS over south India are mainly attributed to wind discontinuity over the region. During monsoon season major lightning activity in NW India is due to the presence of heat low and the rest of the country less intense SCS activity is evident due to high wind shear conditions in connection with low‐level (westerly) and upper‐level (easterly jet stream). In the post‐monsoon season, major lightning in south India are due to the prevailing north‐easterlies and in north India, the activity is attributed to the passage of western disturbance (WD). Station plot analysis suggests the varied distribution of thermodynamic indices season/region‐wise due to the diverse background forcing. Correlation analysis between the lightning and thermodynamic indices suggests that more skillful indices are KI (~0.7 to 0.8), precipitable water (PPW) (~0.8) (pre‐monsoon, monsoon) and (PPW) (~0.8), convective available potential energy (CAPE) (~0.6) in post monsoon over respective lightning hot‐spot regions. Independent verification using Wyoming data/reanalysis for different case studies suggests that monitoring the monthly thresholds of highly correlated indices provides a helpful proxy to operationally forecast the severe convective systems (season/region). Mean Equivalent potential temperature, and mixing ratio in mixed layer has shown reasonable association with the lightning occurrence over all lightning hot spot regions which are implemented in the IMD GFS and IMD WRF models.
Dietary kelp meal improves serum antioxidants, intestinal immunity, and lipid metabolism in hybrid snakehead (Channa maculata ♀ × Channa argus ♂)
Authors: Wang Shaodan , Sun Di , Ye Bin , Xu Guohuan , Zou Jixing 
Published: May 2024

AbstractBACKGROUNDDietary kelp possesses a variety of useful biological qualities but does not have a toxic effect on the host. In this study, we examine how kelp dietary supplementation enhances the serum biochemistry, intestinal immunity, and metabolism of hybrid snakehead. A total of 810 juvenile hybrid snakeheads (Channa maculata ♀ × Channa argus ♂), with an initial average weight of 11.4 ± 0.15 g, were allocated randomly to three treatment groups (three replicates per group). The fish were fed for 60 days with isonitrogenous and isolipidic diets. The groups were the control group (C) (20% high‐gluten flour), the medium replacement group (MR) (10% high‐gluten flour and 10% kelp meal), and the full replacement group (FR) (0% high‐gluten flour and 15% kelp meal).RESULTSThe results showed that dietary kelp increased the activity of serum antioxidant enzymes significantly and decreased the content of serum malondialdehyde (MDA) in hybrid snakeheads, with significant changes in the FR group (P < 0.05). The intestinal morphology results showed that dietary kelp helped to increase the specific surface area of intestinal villi, which was beneficial for intestinal digestion and absorption. According to transcriptome and quantitative real‐time polymerase chain reaction (qRT‐PCR) analysis, dietary kelp can improve the expression of intestinal immunity and metabolism‐related pathways. Among them, immune‐related genes MHC1 and HSPA1 were significantly up‐regulated, and IGH, MHC2, and IL‐8 were significantly down‐regulated (P < 0.05). Lipid metabolism‐related genes DGAT2, FABP2, RXRα, and PLPP1 were all significantly up‐regulated (P < 0.05).CONCLUSIONDietary kelp can effectively improve the antioxidant function of hybrid snakeheads, improve intestinal morphology, reduce intestinal inflammation, and promote intestinal lipid synthesis and transportation, thereby improving intestinal immunity and metabolic functions. © 2024 Society of Chemical Industry.
High efficiency and high color purity deep‐blue organic light‐emitting diodes with blue index >500
Authors: Gao Wei , Xiang Yepeng , Niu Jinghua , Wang Jianyun , Chen Long , Lee Bong‐Geum 
Published: May 2024

AbstractThermally activated delayed fluorescent (TADF) and phosphorescent blue organic light‐emitting diodes (OLEDs) have been developed to overcome the relatively low triplet exciton utilization of traditional fluorescent OLEDs. However, broad emission spectra originating from charge transfer process limit the commercial application of such blue OLEDs. Herein, an effective phosphor‐sensitized fluorescent (PSF) OLED device structure was designed. PSF OLED exhibited a maximum blue index (BI) of 508 cd/A/CIEy with CIEy of 0.060, which has been the highest efficiency result reported for PSF deep‐blue OLEDs. A nearly 100% improvement in operational lifetime LT95 (L/L0 = 95%) was achieved successfully by using lower triplet energy (T1) and deuterated host materials. Impressively, the sensitized OLEDs maintained BI of 407 cd/A/CIEy, narrow emission spectra (FWHM = 17 nm), and high color purity (CIEy = 0.046), revealing the attractive technical advantages and commercial application potential.
Repeat it without me: Crowdsourcing the T1 mapping common ground via the ISMRM reproducibility challenge
Authors: Boudreau Mathieu , Karakuzu Agah , Cohen‐Adad Julien , Bozkurt Ecem , Carr Madeline , Castellaro Marco , Concha Luis , Doneva Mariya , Dual Seraina A. , Ensworth Alex , Foias Alexandru , Fortier Véronique , Gabr Refaat E. , Gilbert Guillaume , Glide‐Hurst Carri K. , Grech‐Sollars Matthew , Hu Siyuan , Jalnefjord Oscar , Jovicich Jorge , Keskin Kübra , Koken Peter , Kolokotronis Anastasia , Kukran Simran , Lee Nam G. , Levesque Ives R. , Li Bochao , Ma Dan , Mädler Burkhard , Maforo Nyasha G. , Near Jamie , Pasaye Erick , Ramirez‐Manzanares Alonso , Statton Ben , Stehning Christian , Tambalo Stefano , Tian Ye , Wang Chenyang , Weiss Kilian , Zakariaei Niloufar , Zhang Shuo , Zhao Ziwei , Stikov Nikola ,   the ISMRM Reproducible Research Study Group and the ISMRM Quantitative MR Study Group
Published: May 2024

AbstractPurposeT1 mapping is a widely used quantitative MRI technique, but its tissue‐specific values remain inconsistent across protocols, sites, and vendors. The ISMRM Reproducible Research and Quantitative MR study groups jointly launched a challenge to assess the reproducibility of a well‐established inversion‐recovery T1 mapping technique, using acquisition details from a seminal T1 mapping paper on a standardized phantom and in human brains.MethodsThe challenge used the acquisition protocol from Barral et al. (2010). Researchers collected T1 mapping data on the ISMRM/NIST phantom and/or in human brains. Data submission, pipeline development, and analysis were conducted using open‐source platforms. Intersubmission and intrasubmission comparisons were performed.ResultsEighteen submissions (39 phantom and 56 human datasets) on scanners by three MRI vendors were collected at 3 T (except one, at 0.35 T). The mean coefficient of variation was 6.1% for intersubmission phantom measurements, and 2.9% for intrasubmission measurements. For humans, the intersubmission/intrasubmission coefficient of variation was 5.9/3.2% in the genu and 16/6.9% in the cortex. An interactive dashboard for data visualization was also developed:
https://rrsg2020.dashboards.neurolibre.org.ConclusionThe T1 intersubmission variability was twice as high as the intrasubmission variability in both phantoms and human brains, indicating that the acquisition details in the original paper were insufficient to reproduce a quantitative MRI protocol. This study reports the inherent uncertainty in T1 measures across independent research groups, bringing us one step closer to a practical clinical baseline of T1 variations in vivo.
Motion‐robust free‐running volumetric cardiovascular MRI
Authors: Arshad Syed M. , Potter Lee C. , Chen Chong , Liu Yingmin , Chandrasekaran Preethi , Crabtree Christopher , Tong Matthew S. , Simonetti Orlando P. , Han Yuchi , Ahmad Rizwan 
Published: May 2024

AbstractPurposeTo present and assess an outlier mitigation method that makes free‐running volumetric cardiovascular MRI (CMR) more robust to motion.MethodsThe proposed method, called compressive recovery with outlier rejection (CORe), models outliers in the measured data as an additive auxiliary variable. We enforce MR physics‐guided group sparsity on the auxiliary variable, and jointly estimate it along with the image using an iterative algorithm. For evaluation, CORe is first compared to traditional compressed sensing (CS), robust regression (RR), and an existing outlier rejection method using two simulation studies. Then, CORe is compared to CS using seven three‐dimensional (3D) cine, 12 rest four‐dimensional (4D) flow, and eight stress 4D flow imaging datasets.ResultsOur simulation studies show that CORe outperforms CS, RR, and the existing outlier rejection method in terms of normalized mean square error and structural similarity index across 55 different realizations. The expert reader evaluation of 3D cine images demonstrates that CORe is more effective in suppressing artifacts while maintaining or improving image sharpness. Finally, 4D flow images show that CORe yields more reliable and consistent flow measurements, especially in the presence of involuntary subject motion or exercise stress.ConclusionAn outlier rejection method is presented and tested using simulated and measured data. This method can help suppress motion artifacts in a wide range of free‐running CMR applications.
The combination of berberine and isoliquiritigenin synergistically improved adipose inflammation and obesity‐induced insulin resistance
Authors: Zhang Xiao‐Yu , Yu Lingling , Wang Keke , Wang Mingsu , Li Ping , Zheng Zu‐Guo , Yang Hua 
Published: May 2024

AbstractWhite adipose tissue accumulation and inflammation contribute to obesity by inducing insulin resistance. Herein, we aimed to screen the synergistic components of the herbal pair Coptidis Rhizoma‐Glycyrrhizae Radix et Rhizoma for the treatment of insulin resistance and explore the potential synergistic mechanisms. Enzyme‐linked immunosorbent assay and quantitative PCR were used to detect expression levels of inflammatory genes in vitro and in vivo. Western blotting and immunohistochemistry were performed to detect protein levels of the insulin signaling pathway and macrophage markers. The effects on obesity‐induced insulin resistance were verified using a diet‐induced obesity (DIO) mouse model. Interactions between macrophage and adipocyte were assessed using a cellular supernatant transfer assay. Berberine (BBR) and isoliquiritigenin (ISL) alleviated mRNA levels and secretion of inflammatory genes in vitro and in vivo. Furthermore, BBR acted synergistically with ISL to ameliorate obesity and dyslipidemia in DIO mice. Meanwhile, the combination treatment significantly improved glucose intolerance and insulin resistance and decreased M1‐macrophage accumulation and infiltration in the adipose tissue. Mechanistically, co‐treatment with BBR and ISL upregulated the protein expression of the IRS1‐PI3K‐Akt insulin signaling pathway, enhanced glucose uptake in adipocyte, and suppressed the interaction between macrophage and adipocyte. BBR and ISL were identified as the synergistic components of the herbal pair Coptidis Rhizoma‐Glycyrrhizae Radix et Rhizoma for treating insulin resistance. The synergistic combination of BBR with ISL can be a promising and effective strategy for improving obesity‐induced adipose inflammation and insulin resistance.
System reliability modeling and analysis for a marine power equipment operating in a discrete‐time dynamic environment
Authors: Li Yan , Zhang Wei , Cui Lirong , Gao Hongda 
Published: May 2024

AbstractExploring on reliability modeling and analysis on a marine equipment in a dynamic environment is a meaningful and challenging issue, because the system commonly carries out the task at sea away from land and suffers a distinct influence of environment. Thus, a reliability model of a multi‐state repairable system operating in dynamic environment is developed by introducing the background of the marine power system in this paper. The novelty of the research lies in the modeling and computing methods are relatively innovative by employing the aggregated stochastic processes, Hadamard production and matrix‐analytic method. First, the working modes of the marine power system under several different kinds of conditions are introduced. Then, the evolution of both the system states and environment are described as discrete‐time Markov chains with multiple and different transition probability matrices. The failure probability and repair probability of components are also distinct in different environments. Furthermore, some performance indexes, especially the index relevant to the environment, are derived, respectively. Finally, the conclusion is obtained by a numerical example of the marine power system, which also illustrates the validity and applicability of the proposed model.
Determination of Binding Constants for the Complexes Between Heavy Metal Ions and Cucurbit[n]uril
Authors: Murray Alenzo , Baker Priscilla , Iwuoha Emmanuel 
Published: May 2024

AbstractOne of the major concerns worldwide is the rapid increase in water pollution with hazardous heavy metals. The Cucurbit[n]uril (CB[n]) structure provides an inner hydrophobic cavity accessible through two electrostatically negative portals with polar carbonyl groups, allowing for charged ion–dipole interaction between cationic species with excellent binding affinities. In this work we selected CB[5], and CB[7] for the titrimetric and electrochemical evaluation of the heavy metal complexes formed with Copper(II), Cadmium(II) and Lead(II). The host–guest interaction was found by either attenuation of the redox peaks, the formation of a new peak, or the slight shift in the redox peaks of the heavy metal ions. Titration data were obtained for CB[n] with the heavy metal solutions to determine the molar coefficient of binding. The stoichiometry of the complexes was 1 : 1 by Job′s plot. We calculated the binding constants using the Benesi–Hildebrand method achieving relatively good binding constants (K) ranging from (1.80±0.14)×105–(4.98±0.13)×105 M−1. The results showed that the complexes of Cadmium(II) and Lead(II) with both CB[5] and CB[7] are highly stable in aqueous media. Copper(II) was able to bind to the smaller sized portal of CB[5], whereas with CB[7] the heavy metal ion could not form a favourable complex. This phenomenon suggests that the CB[5] is an ideal host at forming stable host–guest interactions than their larger homologue.
Hydrothermal Synthesis of CuO/WO3 Hybrid Bifunctional Composites with Unprecedented Dark Adsorption and Photocatalysis
Authors: Patra Niranjan , Ravi Gudiguntla 
Published: May 2024

AbstractThis study presents the synthesis and characterization of Copper Oxide/Tungsten Oxide (CuO/WO3) hybrid bifunctional composites using a hydrothermal approach. X‐ray diffraction (XRD) analysis confirms the successful synthesis of CuO/WO3 hybrids, exhibiting additional peaks corresponding to WO3 phases. Scanning electron microscopy (SEM) images reveal well‐defined, aggregated particles with a nanoscale pattern and uniform distribution of CuO and WO3 throughout the composite. Energy‐dispersive X‐ray spectroscopy (EDX) confirms the stoichiometric composition of CuO/WO3 hybrids. Evaluation of dark adsorption and sunlight‐assisted photocatalysis using methylene blue (MB) dyes shows a remarkable enhancement in efficiency compared to pristine CuO. The CuO/WO3 hybrids exhibit a dark adsorption capacity of 87 % and a photocatalytic degradation efficiency of 95 % under sunlight illumination, outperforming pure CuO. These results underscore the synergistic interaction between CuO and WO3, facilitating efficient pollutant removal. The study elucidates the structural properties and mechanistic insights driving the superior performance of CuO/WO3 hybrid composites, offering promising prospects for advanced water treatment technologies.
Enhanced Intrinsic Self‐Healing Performance of Mussel Inspired Coating via In‐Situ Cation Capture
Authors: Li Miaomiao , Tong Libo , Li Xiangjun , Zou Dening , Xu Shiwei , Ye Fangxia , Wang Kuaishe 
Published: May 2024

AbstractUnder damp or aquatic conditions, the corrosion products deposited on micro‐cracks/pore sites bring about the failure of intrinsically healable organic coatings. Inspired by mussels, a composite coating of poly (methyl methacrylate‐co‐butyl acylate‐co‐dopamine acrylamide)/phenylalanine‐functionalized boron nitride (PMBD/BN‐Phe) is successfully prepared on the reinforcing steel, which exhibits excellent anti‐corrosion and underwater self‐healing capabilities. The self‐healing property of PMBD is derived from the synergistic effect of hydrogen bonding and metal‐ligand coordination bonding, and thereby the continuous generation of corrosion products can be significantly suppressed through in situ capture of cations by the catechol group. Furthermore, the corrosion protection ability can be remarkably improved by the labyrinth effect of BN and the inhibition role of Phe, and the desired interfacial compatibility can be formed by the hydrogen bonds between BN‐Phe and PMBD matrix. The corrosion current density (icorr) of PMBD/BN‐Phe coating is determined as 7.95 × 10−11 A cm−2. The low‐frequency impedance modulus (|Z|f = 0.01 Hz is remained at 3.47 × 109 Ω cm2, indicating an ultra‐high self‐healing efficiency (≈89.5%). It is anticipated to provide a unique strategy for development of an underwater self‐healing coating and robust durability for application in anti‐corrosion engineering of marine buildings.
Injectable Self‐Oxygenating Cardio‐Protective and Tissue Adhesive Silk‐Based Hydrogel for Alleviating Ischemia After Mi Injury
Authors: Hassan Shabir , Rezaei Zahra , Luna Eder , Yilmaz‐Aykut Dilara , Lee Myung Chul , Perea Ana Marie , Jamaiyar Anurag , Bassous Nicole , Hirano Minoru , Tourk Fatima Mumtaza , Choi Cholong , Becker Malin , Yazdi Iman , Fan Kai , Avila‐Ramirez Alan Eduardo , Ge David , Abdi Reza , Fisch Sudeshna , Leijten Jeroen , Feinberg Mark W. , Mandal Biman B. , Liao Ronglih , Shin Su Ryon 
Published: May 2024

AbstractMyocardial infarction (MI) is a significant cardiovascular disease that restricts blood flow, resulting in massive cell death and leading to stiff and noncontractile fibrotic scar tissue formation. Recently, sustained oxygen release in the MI area has shown regeneration ability; however, improving its therapeutic efficiency for regenerative medicine remains challenging. Here, a combinatorial strategy for cardiac repair by developing cardioprotective and oxygenating hybrid hydrogels that locally sustain the release of stromal cell‐derived factor‐1 alpha (SDF) and oxygen for simultaneous activation of neovascularization at the infarct area is presented. A sustained release of oxygen and SDF from injectable, mechanically robust, and tissue‐adhesive silk‐based hybrid hydrogels is achieved. Enhanced endothelialization under normoxia and anoxia is observed. Furthermore, there is a marked improvement in vascularization that leads to an increment in cardiomyocyte survival by ≈30% and a reduction of the fibrotic scar formation in an MI animal rodent model. Improved left ventricular systolic and diastolic functions by ≈10% and 20%, respectively, with a ≈25% higher ejection fraction on day 7 are also observed. Therefore, local delivery of therapeutic oxygenating and cardioprotective hydrogels demonstrates beneficial effects on cardiac functional recovery for reparative therapy.