bluuebunny/crossref_metadata_2025_split huggingface dataset:
Prospects in the application of a frontally curable epoxy resin for cured‐in‐place‐pipe rehabilitation
Authors: Malik Muhammad Salman , Wolfahrt Markus , Domínguez Pardo Juan J. , Bublitz Dirk , Schlögl Sandra 
Published: December 2023

AbstractPhotocurable acrylates and vinyl esters are among the most commonly used resins in cured‐in‐place‐pipe (CIPP) rehabilitation technology, as they impart excellent thermomechanical properties in composite pipes. In the quest for achieving a higher energy efficiency of the photo‐curing process in CIPP, the frontal polymerization technique is a viable alternative that requires a lower irradiation dosage coupled with exceptionally high curing speeds and depths. Herein, for the first time, we report the application of frontal polymerization in the rehabilitation of underground pipes using a newly developed frontally curable epoxy‐based resin (Trelleborg Self‐Curing*). The neat resin is characterized for degree of cure, glass transition temperature, and mechanical properties via FTIR, DMA, and tensile tests, respectively. In a comprehensive way, the properties are benchmarked against commercially available acrylate (Trelleborg Light Cure*) and vinyl ester (Trelleborg Rapid Cure*) resins to evaluate their applicability for CIPP. The results show a higher glass transition temperature and final monomer conversion for the frontally cured resin, which cures significantly faster than the reference resins under the same irradiation conditions. In proof‐of‐concept trials, the newly developed resin successfully cures polymeric liners in a PVC host pipe with 100% water tightness and without losing its structural integrity. Results from ring stiffness tests for cured composite pipes additionally show that liners cured with Trelleborg Self‐Curing* resin pass the minimum required Young's modulus for non‐pressure drainage pipes as per ASTM F1216. Thus, frontally curable epoxy‐based resins are a promising and competitive alternative to acrylates and vinyl esters in CIPP.
Comb‐shaped block poly(arylene ether sulfone ketone)s for anion exchange membranes
Authors: Lai Ao Nan , Li Shu Chun , Zheng Pei Zhi , Zhou Shu Feng , Wu Shi Jie 
Published: December 2023

AbstractA well‐designed architecture is presented here to construct high‐performance anion exchange membranes (AEMs). A series of quaternized fluorene‐containing block poly(arylene ether sulfone ketone)s (QFPESK‐m‐n) is synthesized as the main chains, and grafted with comb‐shaped C8 long alkyl chains for the AEMs. By varying the hydrophilic segment’ length, there has been a significant change in the microstructure as well as phase separation morphology of the membranes, as confirmed by atomic force microscopy. Hence the as‐prepared AEMs with moderate ion exchange capacities (IECs) show enhanced hydroxide conductivities in the range of 28.8―94.7 mS⋅cm−1 from 30 to 80°C. Furthermore, based on the block backbones and hydrophobic comb‐shaped alkyl chains, the AEMs show low‐level swelling ratios of 4.3% to 9.2% at 30°C and from 6.2% to 13.2% at 80°C, and superior ratios of conductivity to swelling. In addition, the QFPESK‐m‐n AEMs also depict acceptable mechanical properties, good thermal stability and an optimizable alkaline stability.
Tropical Atlantic rainfall drives bias in extratropical seasonal forecasts
Authors: Collier T. , Kettleborough J. , Scaife A. A. , Hermanson L. , Davis P. 
Published: December 2023

AbstractWe investigate the impact of seasonal forecast biases in the Tropical Atlantic on the North Atlantic. The analysis uses a novel ensemble‐based method to estimate the impact of tropical rainfall bias on forecasts of the Extratropical North Atlantic. The inter‐ensemble spread of the forecast model is used to estimate the impact of the bias in Tropical Atlantic rainfall on the North Atlantic by selecting model members that happen to produce forecast anomalies that most closely resemble the tropical rainfall bias and using these as a proxy for the model error. The Tropical Atlantic rainfall bias impacts Rossby wave sources over the Subtropical Atlantic and there is a clear Rossby wave pattern originating from this area which is comparable to the mean bias in hindcasts. We argue that Tropical Atlantic rainfall errors explain a significant amount of the bias in seasonal forecasts over the Extratropical North Atlantic.
Lithium Fluoride Embedded Prelithiated Graphite Interface Layer Enables Stable All‐solid‐state Lithium Ion Batteries
Authors: Zhang Nini , Guo Dingcheng , Su Qili , Deng Shungui , Lu Yong , Li Zhe , Liu Haijing , Yao Xiayin 
Published: December 2023

AbstractAll‐solid‐state rechargeable batteries are regarded as one of the most promising next‐generation energy storage devices, while their cycling stability is still a great challenge due to the nonuniform lithium ion transportation and the loss of active lithium during cycling. Herein, a LiF embedded prelithiated graphite interface layer is designed and inserted between Li6PS5Cl solid electrolyte layer and graphite anode layer. The presence of LiF, C−F bonds and prelithiated graphite in this unique interface layer can facilitate uniform lithium ion migration and compensate the loss of active lithium, thus significantly improving the cyclic performances of both monopolar and bipolar all‐solid‐state lithium ion batteries. After 100 cycles at 0.1 C, the capacity retention increases from 58 % to 78.5 % for the monopolar LiNi0.5Co0.2Mn0.3O2|Li6PS5Cl|LiF@2.5 %Li@G|graphite all‐solid‐state lithium ion battery. Besides, the bipolar all‐solid‐state lithium ion batteries show a high discharge plateau of ~7.6 V with a capacity retention of 60.2 % after 190 cycles at 0.1 C. This work demonstrates the effectiveness of LiF embedded prelithiated graphite interface layer for improving the electrochemical performances of all‐solid‐state lithium ion batteries.
Hierarchical Representation of Measurement Data, Metrological Uncertainty and Metadata for Calibrated Battery Tests
Authors: Moradpour Amin , Kasper Manuel , Moertelmaier Manuel , R‐Smith Nawfal Al‐Zubaidi , Kienberger Ferry 
Published: December 2023

AbstractWe present an interoperable hierarchical data representation for battery tests, leading to improved scalability of data transmission and enhanced data accessibility and comprehensibility for both human interpretation and machine processing. The hierarchical data format includes the raw trace electrical measurement data, the metrological calibration and uncertainty data, the metadata such as experimental settings, instruments and software versions, as well as post‐processed data such as electrochemical model fit parameters. This data representation allows repetition of the battery test under the exact same conditions such that identical results are achieved within defined error bounds. This is in line with the general F. A. I. R. data approach and provides repeatability and traceability in the battery value chain. As an application of the hierarchical data representation, we show the classification of cells as pass/fail being performed with quantitative confidence levels. We demonstrate the complete workflow of establishing the hierarchical data structure for electrochemical impedance spectroscopy (EIS), starting from metrological traceability of the calibration and uncertainty analysis towards the storage of the structured data as a single integrated file that preserves the hierarchical data format. The structured data file is provided in JSON format in the Zenodo repository, as well as the program scripts to generate and read the JSON EIS files.
Direct ammonia oxidation (Dirammox) is favored over cell growth in Alcaligenes ammonioxydans HO‐1 to deal with the toxicity of ammonium
Authors: Lv Jun‐Lu , Min Di , Cheng Zhou‐Hua , Zhang Jia‐Xin , Li Wen‐Wei , Mu Yang , Liu Shuang‐Jiang , Liu Dong‐Feng 
Published: December 2023

AbstractBacteria capable of direct ammonia oxidation (Dirammox) play important roles in global nitrogen cycling and nutrient removal from wastewater. Dirammox process, NH3 → NH2OH → N2, first defined in Alcaligenes ammonioxydans HO‐1 and encoded by dnf gene cluster, has been found to widely exist in aquatic environments. However, because of multidrug resistance in Alcaligenes species, the key genes involved in the Dirammox pathway and the interaction between Dirammox process and the physiological state of Alcaligenes species remain unclear. In this work, ammonia removal via the redistribution of nitrogen between Dirammox and microbial growth in A. ammonioxydans HO‐1, a model organism of Alcaligenes species, was investigated. The dnfA, dnfB, dnfC, and dnfR genes were found to play important roles in the Dirammox process in A. ammonioxydans HO‐1, while dnfH, dnfG, and dnfD were not essential genes. Furthermore, an unexpected redistribution phenomenon for nitrogen between Dirammox and cell growth for ammonia removal in HO‐1 was revealed. After the disruption of the Dirammox in HO‐1, more consumed NH4+ was recovered as biomass‐N via rapid metabolic response and upregulated expression of genes associated with ammonia transport and assimilation, tricarboxylic acid cycle, sulfur metabolism, ribosome synthesis, and other molecular functions. These findings deepen our understanding of the molecular mechanisms for Dirammox process in the genus Alcaligenes and provide useful information about the application of Alcaligenes species for ammonia‐rich wastewater treatment.
Chemical Profile and Biological Activities Of Piper mikanianum (Kunth) Steud Essential Oil for Development and Improvement of Oral Rinse
Authors: Alencar Araujo Maia Philippe , Dantas Pereira Ana Paula , de Oliveira Braz Ana Valéria , Carvalho Rodrigues Mariana , de Lima Silva Jussara , Pereira Lucetti Elaine Cristina , Martins de Lima João Paulo , da Silva Luiz Everson , do Amaral Wanderlei , Quefi Blasco , Andrade Rebelo Ricardo , Melo Coutinho Henrique Douglas , Ferreira Matias Edinardo Fagner 
Published: December 2023

AbstractIntroduction: Studies prove that the use of medicinal plants is a custom carried out by man since ancient times, the evolution of the pharmaceutical industry makes more people consume more natural products. Currently, we can observe that mouthwashes containing natural compounds have shown a growth in demand in the markets and in the professional community. Objective: The present study aims to carry out the chemical characterization and microbiological potential of Piper mikanianum (Kunth) Steud essential oil (EOPm), providing data that allows the development of a low‐cost mouthwash formulation aimed at vulnerable communities. Methods: The evaluation of the antibacterial activity and modulator of bacterial resistance was performed by the microdilution method to determine the minimum inhibitory concentration (MIC). The chemical components were characterized by gas chromatography coupled to mass spectrometry, identified 28 constituents, in which Safrole Phenylpropanoid is the major compound, representing 72.6 % of the total composition, followed by α‐pinene (10.7 %), Limonene (2 %), β‐caryophyllene (2 %), E‐nerolidol (1.9 %), spathulenol (1.3 %) and camphene (1.1 %). Results: The EOPm showed a MIC minimum inhibitory concentration≥1024 μg/mL for all bacterial strains used in the tests. When the EOPm modulating activity combined with chlorhexidine, mouthwash, ampicillin, gentamicin and penicillin G was evaluated against bacterial resistance, the oil showed significant synergistic activity, reducing the MIC of the products tested in combination, in percentage between 20.6 % to 98 .4 %. Conclusions: We recommend the expansion of tests with greater variation of EOPm concentration combinations and the products used in this study, as well as toxicity evaluation and in vivo tests, seeking the development of a possible low‐cost mouthwash formulation accessible to the most vulnerable population.
In Vitro and In Silico Antioxidant Activity and Molecular Characterization of Bauhinia ungulata L. Essential Oil
Authors: Nunes de Andrade Medeiros Sandra Regina , Conrado Bezerra Iverson , José da Silva Artur , Leal Pedroza Lucas Aleixo , Gomes Martins Regildo Max , Moniz Ana Maria Henrique , Gonçalves Reis de Melo Ana Cristina , Souza Paiva Weslley , Gubert Priscila , Alves de Melo Filho Antonio 
Published: December 2023

AbstractBauhinia ungulata is an antioxidant medicinal plant that has been manipuled in Brazil to lower glycemic index as well is for alternative treatment for diabetes. Therefore, the present hearch has aimed to investigates the antioxidant effects of the essential oil of Bauhinia ungulata L. (EOBU) collected in Amazon region better specified in Boa Vista, Roraima, Brazil, located in the Amazon region. Gas chromatography had been used to characterize the components, and antioxidant assays such as DPPH, TAC, reducing power, Fe2+ chelation, and total phenols had also been performed. The major constituents had molecularly anchored with the human catalase (CAT) enzyme, and maltol has showed as a positive control. Among the 25 revealed components, the main ones have been α‐bisabolol (27.2 %), β‐Caryophyllene (12.5 %) and Epi‐γ‐eudesmol (13.6 %). The EOBU has comproved a TAC value of 618.79 mg of ascorbic acid equivalent, free radical scavenging capacity (DPPH) around 53.7 % and 65.27 %, Fe2+ chelation capacity of 161±6 and 126.7±39.6, for 0.1 mg.mL−1 and 0.5 mg.mL−1, respectively. The power around the EOBU has appeared percentages equals to 28.66 %, 44.6 %, and 77.03 % in the concentrations tested. As well as, 96.5 % of total phenols. The compounds α‐bisabolol (−5.7±0.4 Kcal.mol−1) and β‐caryophyllene (−6.1±0.5 Kcal.mol−1) have showed good interaction with CAT compared to Maltol (−4.4±0.4 Kcal.mol−1). The present work has demonstrated that EOBU functions as a potent antioxidant, capable of scavenging free radicals and reducing oxidative stress damage.
Thiazolobenzamide‐Naphthalene Hybrids as Potent Anticancer agents compared to Doxorubicin: Design, Synthesis, SAR, In‐silico and Toxicity Analysis
Authors: Kazmi Mohammad Taha , Amir Mohd , Iqbal Md Azhar , Rashid Mohammad , Husain Asif 
Published: December 2023

AbstractIn order to determine whether thiazolobenzamide molecules connected to naphthalene could inhibit the growth of three different tumor cell lines, MCF7 (breast carcinoma), A549 (pulmonary carcinoma), and DU145 (prostatic adenocarcinoma) a novel series of ten molecules, designated TA 1‐10, was designed, synthesized, and tested. Among these compounds, TA7 showed promising results against cell lines, especially showing exceptional efficacy against breast cancer. Antioxidant activity tests consistently showed the best performance from the TA7 molecule. Furthermore, when a dose of 50 to 500 mg/kg of the total mass of rats is given, the most effective chemical, TA7, did not exhibit any harmful effects during acute oral toxicity tests. The biochemical indicators (SGOT and SGPT) for hepatotoxicity associated with compound TA7 were found to be fairly similar to those of the control group. The findings from molecular docking, XP visualization, and MM‐GBSA dG binding investigations are in agreement with the outcomes of in‐vitro tests of antioxidant and anticancer capabilities. TA7 was the most effective compound among those that were docked; it bound free energy and had adequate properties for metabolism (biochemical processes), distribution (dispersion), absorption (assimilation), and excretion (elimination). This study found that the TA7 molecule, a thiazole ring system derivative connected to naphthalene, is to be a promising and possible anticancer agent and its efficacy may be further explored in clinical studies.
Recurrent intracranial anaplastic ependymoma with late‐onset giant scalp metastasis
Authors: Scalia Gianluca , Ferini Gianluca , Chaurasia Bipin , Graziano Francesca , Priola Stefano , Amico Paolo , Umana Giuseppe Emmanuele 
Published: December 2023

Key Clinical MessageEpendymomas are primary brain tumors that predominantly affect individuals between 0 and 4 years of age. Although ependymomas have a propensity for recurrence and the potential to spread within the central nervous system through cerebrospinal fluid (resulting in drop metastases), reports of extra‐neural metastatic localizations are exceedingly rare in the existing literature. This case report presents a unique and rare instance of recurrent intracranial anaplastic ependymoma with a late‐onset giant scalp metastasis.AbstractA 55‐year‐old male patient with a medical history of partial resection of an atypical supratentorial left temporal ependymoma presented with a recurrent anaplastic ependymoma, which had been managed with surgery and radiotherapy. After a 4‐year follow‐up, the patient developed a subcutaneous mass in the left parietal region of the scalp. A multidisciplinary team of neurosurgeons and plastic surgeons performed a surgical procedure, which included en bloc removal of the scalp lesion, resection of 1 cm of unaffected skin, and craniotomy to address an osteolytic area in the parietal skull bone. Skin autografts were used for reconstruction. Histological examination confirmed metastasis of anaplastic ependymoma in the scalp. After a delay in starting chemotherapy due to concerns related to the COVID‐19 pandemic, the patient eventually initiated chemotherapy, leading to disease stability at a short‐term follow‐up. Scalp metastases from ependymoma are rarely reported in the literature. Management of such cases necessitates aggressive surgical resection, followed by adjuvant chemotherapy and radiotherapy. A multidisciplinary approach is recommended to ensure effective and targeted therapy, with a focus on preserving aesthetics, particularly in pediatric cases.
“Bubble‐Diode” Breathable Electrodes for Fast Gas Transport
Authors: He Yi , Tan Peng 
Published: December 2023

AbstractBubbles arising from wild gas evolution commonly exist in electrochemical systems, particularly in water electrolysis and rechargeable aqueous batteries (e. g., Zn‐air batteries). Substantial energy dissipation occurs due to the obstruction of active sites and ion‐conducting pathways by evolving bubbles. Efforts are made to elucidate effective strategies for fast gas transport, most of which focus on minimizing bubble size and facilitating their timely detachment through complex techniques such as constructing super‐hydrophilic nano‐structure electrodes, flowing electrolytes, and ultrasonic oscillation. Recently, an innovative, facile, and highly efficient method utilizing a breathable electrode design to promote gaseous molecules to the external environment emerges as a promising approach since it avoids remarkable bubble accumulation while remaining free of additional accessories. This paper highlights the origin and evolution of this promising design. Starting with introducing the basic concept of traditional breathable electrodes based on hydrophobic polymer networks and discussing the current progress made in underlying mechanisms, a detailed description of the advanced design inspired by a “bubble‐diode” concept with superior breathability follows. This Concept aims to contribute to a deep understanding of this technology and paves the way for further advancements in this renewable energy era.
Electrochemical Diselenation of BODIPY Fluorophores for Bioimaging Applications and Sensitization of 1O2
Authors: Bozzi Ícaro A. O. , Machado Luana A. , Diogo Emilay B. T. , Delolo Fábio G. , Barros Luiza O. F. , Graça Gabriela A. P. , Araujo Maria H. , Martins Felipe T. , Pedrosa Leandro F. , da Luz Lilian C. , Moraes Emmanuel S. , Rodembusch Fabiano S. , Guimarães João S. F. , Oliveira André G. , Röttger Sebastian H. , Werz Daniel B. , Souza Cauê P. , Fantuzzi Felipe , Han Jianhua , Marder Todd B. , Braunschweig Holger , da Silva Júnior Eufrânio N. 
Published: December 2023

AbstractWe report a rapid, efficient, and scope‐extensive approach for the late‐stage electrochemical diselenation of BODIPYs. Photophysical analyses reveal red‐shifted absorption – corroborated by TD‐DFT and DLPNO‐STEOM‐CCSD computations – and color‐tunable emission with large Stokes shifts in the selenium‐containing derivatives compared to their precursors. In addition, due to the presence of the heavy Se atoms, competitive ISC generates triplet states which sensitize 1O2 and display phosphorescence in PMMA films at RT and in a frozen glass matrix at 77 K. Importantly, the selenium‐containing BODIPYs demonstrate the ability to selectively stain lipid droplets, exhibiting distinct fluorescence in both green and red channels. This work highlights the potential of electrochemistry as an efficient method for synthesizing unique emission‐tunable fluorophores with broad‐ranging applications in bioimaging and related fields.
Transformation of Diffusion and Local Structure of CH4, CO2, SO2 and H2O Mixtures in Graphene Under Wide Temperature and Pressure Range: A Molecular Dynamics Simulation Study
Authors: Hu Minghui , Gao Wei , Zhang Lisha , Wang Yize , Feng Huajie 
Published: December 2023

AbstractAs a material with high specific surface area and excellent chemical stability, graphene exhibited remarkable adsorption and separation performance as well as a wide range of potential applications. The graphene layer played a significant role in influencing gas transmission. In this study, we employed molecular dynamics simulation to investigate the diffusion characteristics and local structures of a mixed system consisting of CH4, CO2, SO2 and H2O. Additionally, we further examined the transformation of the behavior of these mixtures within graphene layers. The order of diffusion coefficients of the four molecules without graphene was H2O>SO2>CO2≫CH4. However, in the double‐layer graphene, the order changed to CH4>CO2≫H2O>SO2. Higher temperatures and lower pressures were found to facilitate gas diffusion. Temperature and pressure had great effects on the local structures of CH4, CO2 and SO2, while their impact on H2O was limited due to the extensive network of hydrogen bonds formed by H2O molecules. The statistical results of average coordination number revealed that CH4 tended to aggregate with itself, whereas CO2 and SO2 exhibited a tendency to aggregate with H2O. The graphene structure enhanced the separation and transportation of CH4 from mixed systems.
Assessing the phylogenetic relationship among varieties of Toona ciliata (Meliaceae) in sympatry with chloroplast genomes
Authors: Xiao Yu , Wang Xi , He Zi‐Han , Lv Yan‐Wen , Zhang Chun‐Hua , Hu Xin‐Sheng 
Published: December 2023

AbstractToona ciliata is an endangered species due to over‐cutting and low natural regeneration in China. Its genetic conservation is of an increasing concern. However, several varieties are recognized according to the leaf and flower traits, which complicates genetic conservation of T. ciliata. Here, we sequenced the whole chloroplast genome sequences of three samples for each of four varieties (T. ciliata var. ciliata, T. ciliata var. yunnanensis, T. ciliata var. pubescens, and T. ciliata var. henryi) in sympatry and assessed their phylogenetic relationship at a fine spatial scale. The four varieties had genome sizes ranged from 159,546 to 159,617 bp and had small variations in genome structure. Phylogenomic analysis indicated that the four varieties were genetically well‐mixed in branch groups. Genetic diversity from the whole chloroplast genome sequences of 12 samples was low among varieties (average π = 0.0003). Besides, we investigated genetic variation of 58 samples of the four varieties in sympatry using two markers (psaA and trnL‐trnF) and showed that genetic differentiation was generally insignificant among varieties (Фst = 0%–5%). Purifying selection occurred in all protein‐coding genes except for the ycf2 gene that was under weak positive selection. Most amino acid sites in all protein‐coding genes were under purifying selection except for a few sites that were under positive selection. The chloroplast genome‐based phylogeny did not support the morphology‐based classification. The overall results implicated that a conservation strategy based on the T. ciliata complex rather than on intraspecific taxon was more appropriate.