bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ring‐opening polymerization of l‐lactide in the presence of α‐hydroxy‐γ‐butyrolactone
Authors: Pascouau Chloé , Carlotti Stéphane , Cramail Henri , Peruch Frédéric 
Published: February 2024

AbstractAmong the polymer families, aliphatic polyesters stand out from this category thanks to their degradable and biocompatible properties. In particular, the γ‐lactones differ from other lactones by yielding polyesters that can be depolymerized back to the monomer and offer the advantage of counting various biobased monomers. As an example, α‐hydroxy‐γ‐butyrolactone (HBL) is a hydroxy‐functionalized monomer that can be obtained by a biological synthetic route from glucose. In this article, the ring‐opening copolymerization (ROCP) of HBL and l‐lactide (LLA) using t‐BuP4 as catalyst is investigated. The copolymerizations were conducted within a temperature range of 5–100°C, affording monomer conversions exceeding 80%. The characterization of the copolyesters revealed a branched structure consisting of different HBL patterns, including cyclic, linear, and branched motives. Performing a kinetic study of the copolymerization at room temperature provided a deeper understanding of the mechanism. By modulating the reaction parameters, copolymers of low molar masses with an HBL content of up to 33% were synthesized. High molar mass LLA/HBL‐based copolyesters, with up to 290,000 g/mol, were synthesized by a straightforward chain coupling reaction with a diisocyanate.
Pancreatic iron in pediatric transfusion‐dependent beta‐thalassemia patients: A longitudinal MRI study
Authors: Meloni Antonella , Pistoia Laura , Putti Maria Caterina , Longo Filomena , Corigliano Elisabetta , Ricchi Paolo , Rossi Vincenza , Casini Tommaso , Righi Riccardo , Renne Stefania , Peritore Giuseppe , Barbuto Luigi , Positano Vincenzo , Cademartiri Filippo 
Published: February 2024

AbstractBackgroundIn pediatric transfusion‐dependent thalassemia (TDT) patients, we evaluated the prevalence, pattern, and clinical associations of pancreatic siderosis and the changes in pancreatic iron levels and their association with baseline and changes in total body iron balance.ProcedureWe considered 86 pediatric TDT patients consecutively enrolled in the Extension‐Myocardial Iron Overload in Thalassemia Network. Iron overload (IO) was quantified by R2* magnetic resonance imaging (MRI).ResultsSixty‐three (73%) patients had pancreatic IO (R2* > 38 Hz). Global pancreas R2* values were significantly correlated with mean serum ferritin levels, MRI liver iron concentration (LIC) values, and global heart R2* values. Global pancreas R2* values were significantly higher in patients with altered versus normal glucose metabolism. Thirty‐one patients also performed the follow‐up MRI at 18 ± 3 months. Higher pancreatic R2* values were detected at the follow‐up, but the difference versus the baseline MRI was not significant. The 20% of patients with baseline pancreatic IO showed no pancreatic IO at the follow‐up. The 46% of patients without baseline pancreatic IO developed pancreatic siderosis. The changes in global pancreas R2* between the two MRIs were not correlated with baseline serum ferritin levels, baseline, final, and changes in MRI LIC values, or baseline pancreatic iron levels.ConclusionsIn children with TDT, pancreatic siderosis is a frequent finding associated with hepatic siderosis and represents a risk factor for myocardial siderosis and alterations of glucose metabolism. Iron removal from the pancreas is exceptionally challenging and independent from hepatic iron status.
Well‐defined poly(methyl methacrylate) hybrid titanium dioxide via miniemulsion polymerization: Design and evaluation of methylene blue dye degradation and antibacterial
Authors: Metanawin Tanapak , Panutumrong Praripatsaya , Metanawin Siripan 
Published: February 2024

AbstractA poly(methyl methacrylate)/TiO2 (PMMA/TiO2) hybrid was synthesized in the presence of triethylene glycol dimethacrylate as a crosslinking agent. Different types of TiO2 rutile, anatase, and P25 were employed in this study, and the morphology, crystalline structure, particle size, thermal properties, photocatalytic activity, and antibacterial activity were investigated. The results show that the particle size of the PMMA/TiO2 hybrids was in the range of 73.3 nm to 210.0 nm. The morphology of the PMMA/TiO2 hybrid was spherical with a narrow particle size distribution. The thermal properties of the PMMA/TiO2 hybrid were analyzed using differential scanning calorimetry. The glass transition temperature of the PMMA/TiO2 was higher than that of pristine PMMA. The photocatalytic properties were investigated by monitoring the color changes of methylene blue (MB). It was found that the MB degradation for the PMMA hybrid anatase TiO2 (PMMA/aTiO2) reached 80%, which was similar to that for the PMMA hybrid P25TiO2 at 83% in 60 min. The minimum inhibitory concentrations (MICs) and minimal bactericidal concentrations (MBCs) of the PMMA/TiO2 hybrids were estimated. The MIC of PMMA hybrid anatase TiO2 was 9.65 mg mL−1 (P. aeruginosa) and 19.33 mg mL−1 (S. aureus) which can inhibit the bacteria. The MBC results of the PMMA/aTiO2 were 19.33 mg mL−1 for both P. aeruginosa and S. aureus.Highlights
TiO2 nanoparticle encapsulation with poly(methyl methacrylate) via mini‐emulsion polymerization.
Encapsulated particles exhibit excellent photocatalytic properties.
Triethylene glycol dimethacrylate (TEGDMA) crosslinking ensures stability, enhances photocatalytic property.
The influence of TEGDMA on the hybrid was discussed.
Effect of preschool teacher's math anxiety on teaching efficacy and classroom engagement in math
Authors: Park Jiniee , Ramirez Gerardo , Park Daeun 
Published: February 2024

AbstractIncreasing number of studies have revealed that teacher's math anxiety is related to the use of less effective pedagogical practices, which can lead to reduced math achievement among elementary school students. Children's math experience begins before formal schooling. However, there is limited information about the effect of preschool teachers' math anxiety on math‐related activities. In the current study, 209 in‐service preschool teachers were recruited to explore the relationship between math anxiety and their involvement in math activities within the classroom. Our findings showed that preschool teachers with high levels of math anxiety reported feeling less comfortable teaching math, leading to reduced engagement in math‐related activities and decreased interactions with their students. Building upon these insights, potential strategies are proposed to mitigate adverse effects of math anxiety among preschool teachers and cultivate a more positive learning environment for children.
Species‐specific duplicated FMRFaR‐like gene A62 regulates spontaneous locomotion in Apolygus lucorum
Authors: Gao Han , Tian Ying , Zhang Hui , Li Yanxiao , Li Chenjun , Li Bin 
Published: February 2024

AbstractBACKGROUNDApolygus lucorum, a major cotton pest, has undergone a significant expansion of the FMRFaR gene within the GPCR superfamily, resulting in two classes of GPCR, namely FMRFaR (A54‐55) and newly duplicated FMRFaR‐like (A56‐62). Notably, FMRFaR‐like genes, particularly A62, show enhanced expression in the legs and wings of adults, indicating their potential role in locomotion. Employing A62 as a representative of FMRFaR‐like, our study investigates the influence of FMRFa, FMRFaR, and FMRFaR‐like on locomotion and development of A. lucorum.RESULTSFMRFaR and FMRFa exhibit comparable temporal and tissue expression patterns, whereas the FMRFaR‐like genes within A. lucorum exhibit completely distinct evolutionary and expression patterns compared to classical FMRFaR. RNA interference (RNAi) experiments revealed that suppressing FMRFa expression results in complete lethality in A. lucorum, but neither FMRFaR nor A62 exhibit the same effect after RNAi. Suppressing the expression of FMRFa only decreases the expression of the A54 gene simultaneously, suggesting that A54 may function as a classical FMRFaR activated by FMRFa. RNAi of A62 leads to wing malformation and a significant reduction in spontaneous movement behavior in A. lucorum. Further transcriptomic analysis revealed that A62 affects the A. lucorum's movement behavior through energy metabolism pathways and motor protein pathways.CONCLUSIONOur study unveils the unique and complex roles of FMRFa and its receptor in A. lucorum. These findings provide valuable insights into potential targets for pest control strategies aimed at managing A. lucorum populations in cotton fields. © 2024 Society of Chemical Industry.
Asiaticoside ameliorates DSS‐induced colitis in mice by inhibiting inflammatory response, protecting intestinal barrier and regulating intestinal microecology
Authors: Liu Kunjian , Yin Yu , Shi Chong , Yan Chengqiu , Zhang Yiwen , Qiu Li , He Shuangyan , Li Guofeng 
Published: February 2024

AbstractUlcerative colitis (UC) is one of the most prevalent inflammatory bowel diseases and poses a serious threat to human health. Currently, safe and effective preventive measures are unavailable. In this study, the protective effects of asiaticoside (AS) on dextran sodium sulfate (DSS)‐induced colitis in mice and the underlying molecular mechanism were investigated. In this experiment, colitis was induced in mice with DSS. Subsequently, the role of AS in colitis and its underlying mechanisms were examined using H&E staining, immunofluorescence staining, western blot, Elisa, FMT, and other assays. The results showed that AS significantly attenuated the related symptoms of DSS‐induced colitis in mice. In addition, AS inhibited the activation of signaling pathways TLR4/NF‐κB and MAPK reduced the release of inflammatory factors, thereby attenuating the inflammatory response in mice. AS administration also restored the permeability of the intestinal barrier by increasing the levels of tight junction‐associated proteins (claudin‐3, occludin, and ZO‐1). In addition, AS rebalanced the intestinal flora of DSS‐treated mice by increasing the diversity of the flora. AS can alleviate DSS‐induced ulcerative colitis in mice by maintaining the intestinal barrier, thus inhibiting the signaling pathways TLR4/NF‐κB and MAPK activation, reducing the release of inflammatory factors, and regulating intestinal microecology.
GPU acceleration of many‐body perturbation theory methods in MOLGW with OpenACC
Authors: Byun Young‐Moo , Yoo Jejoong 
Published: February 2024

AbstractQuasiparticle self‐consistent many‐body perturbation theory (MBPT) methods that update both eigenvalues and eigenvectors can calculate the excited‐state properties of molecular systems without depending on the choice of starting points. However, those methods are computationally intensive even on modern multi‐core central processing units (CPUs) and thus typically limited to small systems. Many‐core accelerators such as graphics processing units (GPUs) may be able to boost the performance of those methods without losing accuracy, making starting‐point‐independent MBPT methods applicable to large systems. Here, we GPU accelerate MOLGW, a Gaussian‐based MBPT code for molecules, with open accelerators (OpenACC) and achieve speedups of up to over 32 open multi‐processing (OpenMP) CPU threads.
A new braiding index to assess river regulation effects in multi‐thread channels: Insights from a highly regulated Himalayan river
Authors: Ghosh Kausik , Chakraborty Tapan , Patel Priyank Pravin 
Published: February 2024

AbstractRiver regulation by dams and embankments drastically reduce/alter flow, which affects the natural channel pattern. Existing braiding indices have seldom incorporated the effects of diurnal flow variations caused by hydropeaking, leading to over/underestimation of the braiding intensity. These indices consider only the visible wet channels, ignoring the existence of dry channels that are activated only episodically during phases of water release from hydropower dams. We have extracted the dry channels (those that are periodically wet) coursing across the channel belt of the highly regulated River Tista from Landsat images between 1977 and 2014, using Normalized Difference Wetness Index values. These were combined with existing wet channel widths and numbers to formulate the Regulated Braiding Index (RBi) for characterizing channel braiding in the Tista's course over the Himalayan foothill plains. Overall, the widths and numbers of wet channels decreased by 63% and 25%, respectively, during the regulated years (2003 and 2014) as compared to pre‐dam years (1977 and 1995) due to the collective operation of 14 upstream dams/barrages (having cumulative ~89 million m3 reservoir capacity), whose operations reduced the braiding intensity (eliciting lower RBi values). Further, the number of high braiding reaches decreased by half while low braiding stretches rose by 10% in comparison to the pre‐dam period due to reduced/regulated flow. Comparative analysis of derived RBi values with three existing braiding indices revealed that RBi values consistently decreased near barrages, bridges, and within embankment‐confined reaches, unlike the other indices, thus providing a better framework for assessing expected river regulation effects.
Intermolecular Interactions of Binary Mixtures Comprising 2‐Benzylaminoethanol with Alcohols (C1−C3) at Different Temperatures: Experiments and Modelling
Authors: Belabbaci Aouicha , Ayad Amal , Negadi Amina , Hernández Ariel , Kabane Bakusele , Bahadur Indra , Mohammad Faruq , Mokbel Ilham , Negadi Latifa 
Published: February 2024

AbstractThis manuscript represents the physical quantities comprising the densities, speed of sound and refractive indices for the binary mixtures involving [2‐Benzylaminoethanol (BAE) with methanol, ethanol, 1‐propanol, or 2‐propanol] over a molar composition (xBAE=0–1). The measurements were conducted with the use of Anton Paar densimeter (DSA 5000 M) operated at different temperatures, T=(293.15–323.15) K and at atmospheric pressure. The intermolecular interactions occurring between the prepared binary mixtures were interpreted by computing the excess properties including excess molar volumes (
), isentropic compressibilities (
), intermolecular free length (
), specific acoustic impedance (
), relative association (
, relaxation strength (
), and Rao's molar sound function (
). The Redlich‐Kister polynomial equation was utilized to fit the computed excess properties and PC‐SAFT EoS was utilized for modeling the measured densities. In addition, the Laplace mixing rule as well as the Nomoto's relation were utilized for the modeling of refractive indices and speed of sound, respectively. The experimental data was found in good agreement with the theoretical data for the measured properties.
Dispersive Micro‐Solid Phase Extraction of Selected Metals in Water and Food Samples Followed by ICP‐OES Analysis: Method Development, Analysis of Real Samples and Greenness Evaluation
Authors: Sajid Muhammad , Kabeer Muhamed , Nazal Mazen Khaled , Younas Muhammad , Płotka‐Wasylka Justyna 
Published: February 2024

AbstractMultiwalled carbon nanotubes (MWCNTs) are well‐known adsorbents because of their high surface area, layered and hollow architecture, hydrophobicity, and multiple and easily accessible adsorption sites. In this study, MWCNTs were used for dispersive micro‐solid‐phase extraction of various metal chelates in environmental and food samples. Different parameters such as concentration of the chelating reagent, the sorbent dosage, the extraction time, the desorption time, and the strength of the eluent were suitably optimized. Under the optimum extraction conditions, the proposed method demonstrated a good linear working range for all the analytes, with correlation coefficients above 0.9915. The limit of detection ranged from 0.02 to 0.21 μg/L. The inter‐day and intra‐day relative standard deviations were less than 2.5 %. The proposed method was used for the determination of selected metals in tap water, drinking water, cucumber, and tomato samples. In the end, GAPI tool was used to evaluate the greenness of the method.
Synthesis of New Imidazo[1,2‐a]pyridine Triazole Hybrid Molecules as Potential Apoptotic Antitumor Agents
Authors: Albayrak Halac Fatma , Essiz Sebnem , Servili Burak , Altundas Ramazan , Onur Sucu Bilgesu , Kulu Irem 
Published: February 2024

AbstractNovel imidazo[1,2‐a]pyridines bearing 1,2,3‐triazole moieties at the C3 position were synthesized. After the characterization of the synthesized compounds, their in vitro therapeutic activities were evaluated in various cancer cell lines (MCF7, A549, HePG2 and T98G). Methoxy substituted derivative was identified as the most potent compound based on the results of its anti‐proliferative activity on various cancer cell lines, as well as showing no cytotoxicity on the healthy human fibroblast cell line (MRC‐5). As an indicator of apoptosis, a significant decrease in the level of PARP protein was observed in the MCF7 cells treated with this derivative. Molecular docking studies were conducted on wide range of targets such as phosphoinositide 3‐kinase (PI3K), cyclin‐independent kinase 2 (CDK2), mitogen‐activated protein kinase (MEK), insulin‐like growth‐factor‐1 (IGF‐1), tubulin, DNA topoisomerase, poly (ADP‐ribose) polymerase (PARP) and B‐cell lymphoma‐2 (BCL2). All the compounds tested showed the lowest binding energies with target PARP1. Moreover, CDK2 and tubulin displayed relatively good binding scores. The docking poses and scores were cross‐checked with two different software and multiple protein conformations were included to incorporate flexible protein docking features. Finally, drug‐likeness properties of the compounds are further tested via Swiss‐ADME software.
Efficient Electrocatalytic Reduction of CO2 to CO by Cu‐doped Carbon Materials Derived from ZIF‐8
Authors: Song M. S. Tao , Wang M. S. Yimin , Yuan Zhen , Liu Hai , Zhang B. S. Xiaoli , Cui B. S. Li , Chen B. S. Yuewen , Liu Tianxia , Zhang Xiya 
Published: February 2024

AbstractElectrochemical reduction of carbon dioxide presents a promising pathway to tackle global energy and environmental challenges. Porous carbon materials from metal‐organic frameworks exhibit high specific surface area, abundant active sites, and adjustable pore structure, demonstrating excellent electrocatalytic performance. With their abundant resources and tunability, copper‐based catalysts are well‐suited for efficient carbon dioxide conversion. However, the selectivity and stability of copper‐based catalysts is poor. This study presents the preparation of the first Cu‐doped ZIF‐8‐derived carbon materials and investigates their effect on electrocatalytic carbon dioxide reduction. At the optimal potential of −0.7 V vs. RHE, the CO Faradaic Efficiency (FE) of the Cu0.5‐N−C catalyst reaches 89 %. Furthermore, the electrochemical current density and CO FE of Cu0.5‐N−C catalyst remain nearly unchanged within 13 hours in 0.1 mol L−1 KHCO3 electrolyte. Compared to most of the reported copper‐based catalysts, Cu0.5‐N−C exhibits better stability. Characterization results show that Cu0.5‐N−C has a larger Cu‐N4, higher pyridinic N content, larger specific surface area, and average pore size, which help promote CO2 adsorption and enhance catalyst stability. This work provides new insights and pathways for electrocatalytic carbon dioxide reduction, with enormous potential to contribute to the global energy transition and environmental protection.
Synthesis of New Nifuroxazide Derivatives Based on Nitropyrrole Skeleton with Good Antitumor Activity in Vitro
Authors: Luo Huaxin , Luo Shunyin , Lu Zujia , Yang Guangzao , Irfan Majeed , Deng Rong , Zhu Xiaofeng , Zeng Zhuo 
Published: February 2024

AbstractHerein, we reported 36 novel nifuroxazide derivatives based on 4 or 5‐nitropyrrole skeleton for the first time. The influence of the benzyl substituents on the pyrrole ring and/or hydroxyl substituent on the benzene ring for the anticancer activity was investigated. Most of the designed derivatives were active at micromolar or submicromolar concentrations. The most promising compounds, namely derivatives (E)‐2,3‐dihydroxy‐N′‐((5‐nitro‐1‐(4‐(trifluoromethyl)benzyl)‐1H‐pyrrol‐2‐yl)methylene) benzohydrazide (18), (E)‐N′‐((1‐(4‐fluorobenzyl)‐5‐nitro‐1H‐pyrrol‐2‐yl) methylene)‐2,3‐dihydroxybenzohydrazide (24), and (E)‐N′‐((1‐(3‐fluorobenzyl)‐5‐nitro‐1H‐pyrrol‐2‐yl) methylene)‐2,3‐dihydroxybenzohydrazide (30), exhibited better antitumor activity than nifuroxazide in vitro, with IC50 values ranging from 0.80 to 5.18 μM on CNE2 (human nasopharyngeal carcinoma cell line) and SUNE1 (human nasopharyngeal carcinoma cell line). Docking results indicated that compounds 24 and 30 interacted with the SRC homology 2 (SH2) and carboxyl‐terminal transactivation domain of STAT3 (the signal transducer and activator of transcription 3), with binding energies ranging from −3.98 to −3.88 kcal/mol, and exhibited similar binding modes and energies to nifuroxazide. Interestingly, the trifluoromethyl substituted 18 interacts in the coiled‐coil, DNA‐binding and linker domain of STAT3, with a binding energy of −4.16 kcal/mol.
Dynamic Structural Change of Plant Epidermal Cell Walls under Strain
Authors: Yu Jingyi , Del Mundo Joshua T. , Freychet Guillaume , Zhernenkov Mikhail , Schaible Eric , Gomez Esther W. , Gomez Enrique D. , Cosgrove Daniel J. 
Published: February 2024

AbstractThe molecular foundations of epidermal cell wall mechanics are critical for understanding structure–function relationships of primary cell walls in plants and facilitating the design of bioinspired materials. To uncover the molecular mechanisms regulating the high extensibility and strength of the cell wall, the onion epidermal wall is stretched uniaxially to various strains and cell wall structures from mesoscale to atomic scale are characterized. Upon longitudinal stretching to high strain, epidermal walls contract in the transverse direction, resulting in a reduced area. Atomic force microscopy shows that cellulose microfibrils exhibit orientation‐dependent rearrangements at high strains: longitudinal microfibrils are straightened out and become highly ordered, while transverse microfibrils curve and kink. Small‐angle X‐ray scattering detects a 7.4 nm spacing aligned along the stretch direction at high strain, which is attributed to distances between individual cellulose microfibrils. Furthermore, wide‐angle X‐ray scattering reveals a widening of (004) lattice spacing and contraction of (200) lattice spacing in longitudinally aligned cellulose microfibrils at high strain, which implies longitudinal stretching of the cellulose crystal. These findings provide molecular insights into the ability of the wall to bear additional load after yielding: the aggregation of longitudinal microfibrils impedes sliding and enables further stretching of the cellulose to bear increased loads.