bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigation dry reforming of methane over nickel using a one‐dimensional model
Authors: Rakhi  , Giri Binod R , Günther Vivien , Mauss Fabian 
Published: November 2023

AbstractIn the field of catalysis, dry reforming, that is, methane reforming with , is in the focus due to growing environmental concerns about oil depletion and global warming with a desire to produce synthesis gas. However, this process can lead to the formation of carbon, which can cause catalyst deactivation, especially at industrial conditions. Nevertheless, the key to develop a more coke‐resistant catalyst is a better comprehension of the reforming process at a molecular level. Regardless of all the investigations available in literature, the detailed path for the conversion of methane to syngas and carbon remains a controversial issue. Another problem in setting up a reaction mechanism is the difficulty to define the thermodynamic data for intermediate surface species and this leads to the development of thermodynamic consistent surface reaction mechanisms in literature where the thermodynamic data are not used to calculate the rate coefficients of the reverse reactions. Rather the Arrhenius parameters for the forward as well as backward reactions are explicitly given in the reaction mechanism to establish thermodynamic equilibrium. In this investigation, a kinetically consistent detailed surface reaction mechanism is developed which consists of 26 reversible reactions with the help of a one‐dimensional model, LOGEcat. Our previous work constructs the basis of the present investigation. Further, a detailed sensitivity analysis of reversible reactions and reaction pathways is performed to understand the mechanism better. The mechanism is validated for dry reforming of methane over nickel catalyst, however, it can also be used for other processes, such as, steam reforming and partial oxidation. The mechanism is tested by comparing the simulation results with the literature experiments and simulations in a wide range of temperature. The new developed kinetically consistent surface reaction mechanism is able to accurately express the dry reforming of methane over the nickel catalyst for complete range of temperature and also provide a useful insight into the key rate determining steps.
Preparation, stretch‐induced crystallization and thermo‐oxidative aging behavior of poly (lactic acid)/saponite grafted polystyrene nanocomposites films
Authors: Wang Zhe , Jilili Yikelamu , Ma Yumiao , Zhen Weijun 
Published: November 2023

AbstractIn this work, modified saponite (SAP‐g‐PS) was prepared by Pickering emulsion polymerization, and the optimum synthesis conditions of SAP‐g‐PS were investigated. Furthermore, SAP‐g‐PS was used as a reinforcing filler for poly (lactic acid) (PLA) and the mechanical properties results revealed that the elongation at break increased by 81.51% compared to pure PLA when SAP‐g‐PS was added up to 0.5 wt%. Scanning electron microscopy analysis showed that the fracture of PLA based nanocomposite films was ductile. The thermal analysis results showed that the maximum thermal decomposition temperature was increased from 352.19°C (PLA0, pure PLA film) to 361.63°C (PLA3, 0.5 wt% SAP‐g‐PS), and the crystallinity was increased from 18.2% (PLA0) to 31.3% (PLA3) at the traction ratio of 14. The stretch‐induced crystallization behavior of PLA based nanocomposites films was investigated under the conditions of the optimum blow molding process, and it was found that the elongation at break of PLA0 films increased from 25.8% to 37.4% and that of PLA3 was increased from 81.4% to 135.5% with the increase of the traction ratio, the crystallinity of both films showed an increasing trend, which indicated that the presence of the tensile flow field improved the orientation of the PLA, and increased its crystallization and mechanical properties. The thermo‐oxidative aging kinetics of PLA based nanocomposites films with different additions of SAP‐g‐PS were investigated by thermo‐oxidative aging experiments, and the lifetime of the films were predicted by the Arrhenius equation, which showed that the addition of SAP‐g‐PS effectively improved the lifetime of PLA based nanocomposites films.
Effect of curing temperature on shape memory properties of graphene oxide‐carbon fiber hybrid‐reinforced shape memory polymer composites
Authors: Ma Yuqin , Guo Haiyin , Xu Yi , Li Puda , Xu Wei , Ji Jing , Shi Yanni 
Published: November 2023

AbstractIn order to study the effect of curing temperature on the shape memory properties (SMPs) of GO‐CF hybrid‐reinforced SMPCs, eight sets of composites were prepared at different curing temperatures (60, 70, 80, 90, 100, 110, 120, and 130°C). The rheological and curing properties of the matrix, and the apparent density, porosity, microstructure, and SMPs of the composite were measured and analyzed, respectively. The results showed that at 100°C, the composite has the highest apparent density (1.52 g/cm3), the lowest porosity (0.47%), the best SMPs, the shape fixed rate of 99.13%, the shape recovery rate of 96.54%, and the maximum shape recovery force (5.15 N). The shape recovery speed and rate of shape recovery are also the fastest. This is because when the curing temperature is 100°C, the viscosity of the matrix can be kept at a low level, and the curing reaction rate is appropriate. This not only ensures that the matrix can be fully infiltrated into the fiber space but also obtains the matrix with appropriate crosslinking degree. Therefore, the microstructure of the prepared composite is ideal, which makes the matrix has a strong ability to restrain the expansion force of the fiber and a high efficiency of the transfer force and heat. Finally, in the test of SMPs, the composite showed higher SMPs. It was concluded that the SMPs of the composites were mainly affected by the infiltration effect of the matrix in the fiber.Highlights
The microstructure of the composite was more ideal at 100 °C.
The composite with the lowest porosity has the best shape memory properties.
The high porosity weakens the heat and force transfer ability of the matrix.
The shape memory properties of composites are the best prepared at 100  °C.
Optimizing large real‐world data analysis with parquet files in R: A step‐by‐step tutorial
Authors: Abdelaziz Abdullah I. , Hanson Kent A. , Gaber Charles E. , Lee Todd A. 
Published: November 2023

AbstractPurposeThe use of open‐source programming languages can facilitate open science practices in real‐world evidence (RWE) studies. Real‐world studies often rely on using big data, which makes using such languages complicated. We demonstrate an efficient approach that enables RWE researchers to use R to undertake RWE analysis tasks from cohort building to reporting.MethodsUsing the Merative Marketscan data (2017–2019), we developed an R function to transform the data into parquet format to be used in R. Then, we compared the differences in data size before and after transformation. We compared the performance of the transformed data in R to the original data in terms of numerical consistency and running times required to complete simple exploratory tasks. To show how the transformed databases can be used in practice, we conducted a simplified replication of an active comparator new user study from the literature. All codes are available on GitHub.ResultsOur approach exhibited high efficiency in data storage, as evidenced by the converted data size, which ranged from 10% to 43% of that of the original data files. The runtime of the exploratory tasks in R generally outperformed that of the original data with SAS. We showed, through example, how the converted data can be efficiently used to implement an RWE study.ConclusionWe demonstrate a free and efficient solution to facilitate the use of open‐source programming languages with big real‐world databases, which can facilitate the adoption of open science practices.
P/N/Si‐containing synergistic flame retardants endowing lignin‐based epoxy resin with good flame retardancy, mechanical properties and heat resistance
Authors: Li Jialan , Wang Jinlei , Zheng Huimin , Guo Jianwei , Guo Ruijie , Yan Hong 
Published: November 2023

AbstractBiobased epoxy resins are gaining attention as a renewable alternative to petroleum‐based resins. However, their inherent flammability requires flame‐retardant treatment. In this study, hexaphenoxycyclotriphosphazene (HPCP) and various synergists were utilized to improve the flame retardancy of lignin‐based epoxy resin (EP‐L). Results showed that (3‐aminopropyl)triethoxysilane (APTES) had the most effective synergistic effect for HPCP to form a P/N/Si‐containing system, resulting in a compact crosslinked char layer. Upon the incorporation of HPCP and APTES (6∶1, 12 wt% of EP mass) into EP, a V‐0 classification was achieved in the UL‐94 vertical burning assessment, with a limiting oxygen index of 33.6% and a 47.77% decrease in the peak of heat release rate. This system minimally influenced the tensile strength of the composite (a 16.51% reduction), and maximumly increased its initial degradation temperature by 83 °C, compared with EP‐L. © 2023 Society of Industrial Chemistry.
Lithological controls on soil properties, Snow Island, Maritime Antarctica
Authors: Lopes Davi do Vale , de Oliveira Fábio Soares , Reis João Santiago , Schaefer Carlos Ernesto G. R. 
Published: November 2023

AbstractSoil–parent material is a critical controlling factor of soil properties in the Antarctic region due to a limited degree of soil development. However, the degree to which soil–parent material can be considered the major controlling factor in pedogenesis and subsequent soil physical and chemical properties in Antarctica should be better understood to improve soil mapping and interpretations. The present study aims to analyze the soil properties of different lithological groups on the President Head Peninsula on Snow Island, Maritime Antarctica. Thirty soil profiles across the major lithological groupings on Snow Island (beach deposits, andesites, basalts/andesites, conglomerate, sandstones, siltstones, and mudstones) were described, and the morphological, physical, and chemical properties of samples from sampled genetic horizons were characterized. Beach deposits were most clearly differentiated from other lithological groups, whereas most other groups overlapped strongly in observed properties. Whereas some lithological groups (e.g., sedimentary rock groups) were characterized largely by immature soils with little degree of pedogenesis, other sampled soils exhibited more development. The soil–parent material relationships of Snow Island revealed a unique setting of a complex heterogeneous landscape and show that the area has a great pedological complexity induced by phosphatization, melanization, and cryoturbation processes that preclude placing primary importance on parent material and lithology as the major controlling factor in Antarctic soils.
TEPCAM: Prediction of T‐cell receptor–epitope binding specificity via interpretable deep learning
Authors: Chen Junwei , Zhao Bowen , Lin Shenggeng , Sun Heqi , Mao Xueying , Wang Meng , Chu Yanyi , Hong Liang , Wei Dong‐Qing , Li Min , Xiong Yi 
Published: November 2023

AbstractThe recognition of T‐cell receptor (TCR) on the surface of T cell to specific epitope presented by the major histocompatibility complex is the key to trigger the immune response. Identifying the binding rules of TCR–epitope pair is crucial for developing immunotherapies, including neoantigen vaccine and drugs. Accurate prediction of TCR–epitope binding specificity via deep learning remains challenging, especially in test cases which are unseen in the training set. Here, we propose TEPCAM (TCR–EPitope identification based on Cross‐Attention and Multi‐channel convolution), a deep learning model that incorporates self‐attention, cross‐attention mechanism, and multi‐channel convolution to improve the generalizability and enhance the model interpretability. Experimental results demonstrate that our model outperformed several state‐of‐the‐art models on two challenging tasks including a strictly split dataset and an external dataset. Furthermore, the model can learn some interaction patterns between TCR and epitope by extracting the interpretable matrix from cross‐attention layer and mapping them to the three‐dimensional structures. The source code and data are freely available at https://github.com/Chenjw99/TEPCAM.
The Relationships of AMPK Allosteric Inhibitors with Their Activities against Breast Cancer in 2D and 3D Models
Authors: El‐Araby Moustafa E. , Khan Mohammad I. , Muhammad Yosra A. , Razeeth Shait Mohammed Mohammed , Dalhat Mahmood H. , Alharbi Majed A. , Mass Shaza , Abou Gharbia Magid , Khayat Maan T. , Omar Abdelsattar M. 
Published: November 2023

AbstractAMP‐activated Protein Kinase (AMPK) has conflicting roles in solid tumor progression as it shows anticarcinogenic activities in healthy cells while it may help the existing cancer cells to survive through certain stress conditions such as metastasis, hypoxia, and dormancy. These cells are usually present in the core of the solid tumors. To explore AMPK inhibitors and their anticancer activities, three compounds related to N‐benzyl‐[4‐(phenylamino)aryl]acetamide scaffold demonstrated high potency as α1/β1/γ2 AMPK allosteric inhibitors (IC50 range 7.77–13.75 nM). As an example, the compound N‐(6‐(2‐(benzylamino)‐2‐oxoethyl)pyridin‐3‐yl)‐3‐methoxybenzamide (MAK‐11) inhibited cancer growth at IC50 values 0.148 μM (MCF7, monolayer), 0.097 μM (T47D, monolayer), 19.58 μM (MCF7, spheroids) and 3.72 μM (T47D, spheroids). It was also found that MAK‐11 caused increases in spheroid model dead cells (36.5 % and 32.1 %), induced mitochondrial depolarization (34.0 % and 36.8 %), and elevated ROS levels (24.6 %% and 32.1 %) for MCF7 and T47D, respectively. We also profiled the drug‐likeness of compounds and confirmed that they do not inhibit HSF (non‐cancerous cell lines). It was noticed that monolayer (2D) assay results are not parallel to the spheroid (3D) results as MAK‐11 was 97 times lower than MAK‐6 in T47D 2D assay, while it was twice as potent as the same compound in the 3D assay. Therefore, we propose that AMPK inhibitors should be tested on 3D tumor models that are similar to the environment with the core of tumor cells.
Decomposition Kinetics of Perfluoro‐(4‐methyl‐2‐pentene) (C6F12) and its Extinguishing Performance Study
Authors: Wang Xingyu , Ji Qiuchi , Zhang Xiao 
Published: November 2023

AbstractThe urgent desire for Halon substitution has initiated the development of potential environment friendly alternatives since the Montreal Protocol and subsequent amendments were introduced. Atmospheric degradable agents such as halogenated alkenes, fluorinated ketones and cyclic compounds have been extensively studied. Among them, perfluoro‐(4‐methyl‐2‐pentene) (C6F12) has an analogous structure to C6F12O (Novec 1230) and has been regarded as one kind of potential substitute. In this paper, the main decomposition kinetics of C6F12 are studied numerically. In addition, the interactions between C6F12 and flames are studied experimentally. The results show that the suppression effectiveness of C6F12 is comparable to C6F12O, and the temperature rise is not obvious. The low chemical reactivity is believed to be caused by the perfluorinated methyl and isopropyl groups adjacent to olefinic carbon decreasing the reactivity of C6F12 toward OH radicals. Chemical kinetics simulation indicates that H‐induced reactions dominate the initial decomposition of C6F12, and a lot of isomers will be formed via a series of isomerization reactions and subsequent decomposition reactions at high temperature. These findings suggest the promising applicability of C6F12 and worth further study.
Can geography explain Quebec's historical poverty?
Authors: Geloso Vincent , Rouanet Louis 
Published: November 2023

AbstractFrom the 19th century to the 1940s, Quebec remained poorer and less economically developed than the rest of Canada in general, and than Ontario in particular. This placed Quebec at the bottom of North American rankings of living standards. One prominent hypothesis for the initiation of this gap is tied to disparities in agricultural land quality. We formally test this hypothesis using newly available data for the mid‐19th century and find it holds little explanatory power. We further argue that poor institutions in Quebec, notably seigneurial tenure, were at the root of the development gap and that the effect of land quality on living standards was institutionally contingent.
Influence of silver doping on pro‐inflammatory and pro‐fibrogenic effects of nano‐titanium dioxide in murine lung
Authors: Huang Xiaoquan , Li Congcong , Wei Tingting , Zou Lingyue , Liu Na , Bai Changcun , Yao Yongshuai , Wang Zhihui , Li Binjing , Qiao Dong , Niu Yiru , Wang Xiaoli , Tang Meng 
Published: November 2023

AbstractSilver is usually loaded on nano‐titanium dioxide (TiO2) through photodeposition method to enhance visible‐light catalytic functions for environment purification. However, little is known about how the toxicity changes after silver doping and how the physicochemical properties of loaded components affect nanocomposite toxicity. In this study, Ag‐TiO2 with different sizes and contents of silver particles were obtained by controlling photodeposition time (PDT) and silver addition amount. Pro‐inflammatory and pro‐fibrogenic responses of these photocatalysts were evaluated in male C57BL/6J murine lung. As a result, silver was well assembled on TiO2, promoting visible‐light catalytic activity. Notably, the size of silver particles increased with PDT. Meanwhile, toxicity results showed that pure TiO2 (P25) mainly caused neutrophil infiltration, while 2 wt/wt% silver‐loaded TiO2 recruited more types of inflammatory cells in the lung. Both of them caused the increase of proinflammatory cytokines while decreasing the anti‐inflammatory cytokine in bronchoalveolar lavage fluid. However, 2 wt/wt% silver doping also accelerated the lung pro‐fibrogenic response of photocatalysts in the subacute phase from evidence of collagen deposition and hydroxyproline concentrations. Mechanistically, the overactivation of TGFBR2 receptors in TGF‐β/smads pathways by silver‐loaded TiO2 rather than pure TiO2 may be the reason why silver‐loaded TiO2 can promote pro‐fibrogenic effect response. Intriguingly, the increased toxicity caused by silver doping can be rescued by increasing the size of the loaded silver or decreasing the silver amount. These results may be important for the new understanding of the toxicity of TiO2‐based photocatalysts.
Introduction
Authors: Norkus Zenonas 
Published: November 2023

AbstractThis book is a comparative case study in the historical sociology of modern social restorations. This is a new field in comparative social research designed to extend and complete comparative historical sociological research on social revolutions. Comparative research on revolutions is a well-established research field, as at least four generations of theory have changed to date (cf. Goldstone 2001, 2014; DeFronzo 2006, 2021). It originated with the comparison of 1789 French and 1917 Russian revolutions (Shlapentokh 1999), culminating in the famous study by Theda Skocpol (1979), which is one of the most influential and cited works in comparative social research (Goodwin 1996). Puzzlingly, as yet no authors have taken into due account the fact that both great modern social revolutions did in fact end (in 1815 and 1989 correspondingly) with restorations of the prerevolutionary regimes.
Life Expectancy in the Interwar Period: Fixing Data Gaps for Lithuania and Explaining Early Demographic Transition in Estonia and Latvia
Authors: Norkus Zenonas 
Published: November 2023

AbstractTable 10.1 provides a compilation of the available data on life expectancy at birth, based on life tables for the Baltic countries and Finland in 1897–1938, which is included because of its role as a regional benchmark country in the perceptions of the indigenous populations of the Baltic countries. It also provides Gapminder (Lindgren 2020) estimates, which could not be neglected because of my interest (for application of the OOST) in the 1913 life expectancy values. They could only be interpolated or estimated from values in the years for which life tables could be constructed. I rely on my estimates, but those coming from Gapminder are useful as a control instance.
The Idea of Social Restoration
Authors: Norkus Zenonas 
Published: November 2023

AbstractIn fights between the factions of the victorious French revolutionaries in 1792–1799, the accusation of scheming to restore the monarchy was the most murderous claim that could be made. In power struggles over who would succeed Vladimir Lenin within the USSR (1924–1938), the indictment of plotting the restoration of capitalism was deemed most ruinous. This was the case in the infamous ‘Moscow trials’ of 1936–1938 where Kamenev, Zinov’ev, Bukharin and other rivals of Joseph Stalin were indicted for conspiring to dismember the USSR and to restore capitalism. The indictments were false, but after some 50 years the USSR was dismembered and capitalism was restored, as happened in France in 1814–1815 to the Bourbon monarchy.
The ‘Baltic Question’ and Retroactive Politics in the Baltic Restorations
Authors: Norkus Zenonas 
Published: November 2023

AbstractOf course, survivors from the interwar republics of Lithuania, Latvia and Estonia were not single survivals from the interwar years in 1990, helping make the continuity of the Baltic states and societies a sociological reality. The next and no less important asset of tokenist restoration politics in 1988–1991 was the survival of the Baltic states de jure as persons in international law. Knowledge of this legal fact was the main source of inspiration of fundamentalist tokenist restoration politics in the Baltic countries. The main cause of the de jure survival of the Baltic states was the US policy of non-recognition of the annexation of the Baltic states, dating back to 23 July 1940.