bluuebunny/crossref_metadata_2025_split huggingface dataset:
3,11‐Diaminodibenzo[a,j]phenazine: Synthesis, Properties, and Applications to Tröger's Base‐Forming Ladder Polymerization
Authors: Izumi Saika , Inoue Keiki , Nitta Yuya , Enjou Tomoya , Ami Takahiro , Oka Kouki , Tohnai Norimitsu , Minakata Satoshi , Fukushima Takanori , Ishiwari Fumitaka , Takeda Youhei 
Published: December 2022

AbstractA new class of diamino‐substituted π‐extended phenazine compound was synthesized, and its photophysical properties were investigated. The U‐shaped diaminophenazine displayed photoluminescence in solution with moderate quantum yield. The diamino aromatic compound was found applicable to the poly‐condensation with formaldehyde to form Tröger's base ladder polymer. The obtained microporous ladder polymer features high CO2 adsorption selectivity against N2, most likely due to the presence of basic nitrogen atoms in the phenazine rings.
Supramolecular Aggregation Control in Polyoxometalates Covalently Functionalized with Oligoaromatic Groups
Authors: Knoll Sebastian , Hänle Matthias , Mengele Alexander K. , Sorsche Dieter , Rau Sven , Streb Carsten 
Published: December 2022

AbstractCLICK‐chemistry has become a universal route to covalently link organic molecules functionalized with azides and alkynes, respectively. Here, we report how CLICK‐chemistry can be used to attach oligoaromatic organic moieties to Dawson‐type polyoxometalates. In step one, the lacunary Dawson anion [α2‐P2W17O61]6− is functionalized with phosphonate anchors featuring peripheral azide groups. In step two, this organic‐inorganic hybrid undergoes microwave‐assisted CLICK coupling. We demonstrate the versatility of this route to access a series of Dawson anions covalently functionalized with oligoaromatic groups. The supramolecular chemistry and aggregation of these systems in solution is explored, and we report distinct changes in charge‐transfer behavior depending on the size of the oligoaromatic π‐system.
Role of Counterions in the Structural Stabilisation of Redox‐Active Metal‐Organic Frameworks**
Authors: Golomb M. J. , Tolborg K. , Calbo J. , Walsh A. 
Published: December 2022

AbstractThe crystal structures of metal‐organic frameworks (MOFs) are typically determined by the strong chemical bonds formed between the organic and inorganic building units. However, the latest generation of redox‐active frameworks often rely on counterions in the pores to access specific charge states of the components. Here, we model the crystal structures of three layered MOFs based on the redox‐active ligand 2,5‐dihydroxybenzoquinone (dhbq): Ti2(Cl2dhbq)3, V2(Cl2dhbq)3 and Fe2(Cl2dhbq)3 with implicit and explicit counterions. Our full‐potential first‐principles calculations indicate that while the reported hexagonal structure is readily obtained for Ti and V, the Fe framework is stabilised only by the presence of explicit counterions. For high counterion concentrations, we observe the formation of an electride‐like pocket in the pore center. An outlook is provided on the implications of solvent and counterion control for engineering the structures and properties of porous solids.
Water detection framework for industrial electric arc furnaces: Boundary modelling and formulation
Authors: Alshawarghi Hamzah , Hourfar Farzad , Moshiri Behzad , Almansoori Ali , Elkamel Ali 
Published: December 2022

AbstractThis paper describes the development of a boundary model for the off‐gas water vapour in an industrial steelmaking electric arc furnace (EAF). The solution addresses the mechanistic components of a complete EAF water detection framework. The boundary model has been implemented on an industrial alternating current (AC) EAF. The model specifies upper and lower limits in real‐time of the expected EAF off‐gas water vapour leaving the furnace, and it provides a valuable on‐line monitoring tool to the operator on what boundary to expect for the off‐gas water vapour in different circumstances. An essential data required for the framework is the EAF off‐gas composition. So, in this work, an off‐gas analyzer with a human machine interface (HMI) and a supervisory control and data acquisition (SCADA) system was installed in the first step. Then, in order to evaluate the developed water leak detection framework and verify the obtained results, industrial trials were designed in which a certain amount of water was intentionally added into the furnace by increasing the electrode spray water flow rate. Moreover, we have shown how the presented framework can be used to appropriately adjust the alarm setting values in control/emergency shutdown systems of industrial EAF to enhance the safety and availability of the plant.
Establishment of Baseline Reference Geochemical Values in Tropical Soils of Western Ghats: Assessment of Periyar Basin with Special Reference to Contaminant Geochemistry
Authors: Krishnakumar Appukuttanpillai , Aditya Sanal Kumar , Krishnan Krishnan Anoop , Vivekanandan Nandakumar , Kaliraj Seenipandi , Jose Jeenu 
Published: December 2022

AbstractBased on the detailed geochemical studies of 184 soil samples from Periyar River Basin (PRB), a tropical monsoon dominated river basin (5398 km2) in the southern western Ghats (WGs) of India, a baseline reference data is established. The soils are mildly acidic with sandy loam and silt loam facies in non‐monsoon to sandy loam and sandy clay loam in monsoon. The mean metal concentrations follow the upper continental crust and world shale values. The Geoaccumulation index (Igeo) shows unpolluted to moderately polluted category, except for Cu, Zn, and Ba, while Enrichment Factor (EF) indicates no to minor enrichment for all elements. Contamination factor (Cf) indicates low to considerable contamination for V, Rb, Sr, Ni, and low to very high contamination for Cu, Zn, and Ba. Three significant components are extracted by Principal Component Analysis (PCA), explaining 78.09% and 74.10% of the total variance for monsoon and non‐monsoon seasons. Ti, Al, Fe, Ca, Na, K, V, Cr, Ni, Sr, and Ba exhibited common source of origin while anthropogenic origin is identified for Zn and Cu. The study will provide valuable information into the pedological characteristics of WGs river basins.
Using NeuroPAL Multicolor Fluorescence Labeling to Identify Neurons in C. elegans
Authors: Santiago Emerson R. , Shelar Ashish , Christie Nakeirah T.M. , Lewis‐Hayre Maya R. , Koelle Michael R. 
Published: December 2022

AbstractNeuroPAL (Neuronal Polychromatic Atlas of Landmarks) is a recently developed transgene that labels each of the 118 classes of neurons in C. elegans with various combinations of four fluorescent proteins. This neuron‐type‐specific labeling helps identify neurons that could otherwise be confused with neighboring neurons. Neuron identification enables researchers to combine new data that they generate on a C. elegans neuron with existing datasets on that same neuron, such as its synaptic connections, neurotransmitters, and transcriptome. An impediment to using NeuroPAL, however, is overcoming the steep learning curve for interpreting three‐dimensional (3D) fluorescence images of crowded neural ganglia within which different neurons may be similarly colored, some neurons are only very faintly labeled, and the positions of some neurons are variable.Here, we provide protocols that allow researchers to learn to accurately identify neurons within 3D images of NeuroPAL‐labeled animals. We provide 3D reference images that illustrate NeuroPAL labeling of each body region, and additional 3D images as training exercises to learn to accurately carry out C. elegans neuron identifications. We also provide tools to annotate images in 3D, and suggest that such 3D annotated images should be the standard for documenting C. elegans neuron identifications for publication. © 2022 Wiley Periodicals LLC.Basic Protocol 1: Using Imaris software to view and annotate images of NeuroPAL‐labeled animals in 3DAlternate Protocol: Using FIJI/ImageJ software to view and annotate images of NeuroPAL‐labeled animals in 3DBasic Protocol 2: Identifying tail neurons—an introduction to identifying neuronsBasic Protocol 3: Identifying midbody neuronsBasic Protocol 4: Identifying anterior head neuronsBasic Protocol 5: Identifying posterior head neuronsBasic Protocol 6: Identifying ventral head and retrovesicular ganglion neurons
Rapid Synthesis of Diesel Precursors from Biomass‐Derived Furanics Over Aluminum‐Doped Mesoporous Silica Sphere Catalysts
Authors: Huang Yao‐Bing , Yan Xia‐Yun , Huang Zhi‐Hao , Shan Tian‐Xi , Geng Jing‐Yu , Cao Zi‐He , Lu Qiang 
Published: December 2022

AbstractThe condensation of biomass‐derived molecules has been increasingly utilized as a sustainable strategy for the preparation of high‐carbon precursors for high‐density fuels, thus stimulating the demand for more efficient catalysts. This study concerns the synthesis of an aluminum‐doped mesoporous silica sphere (Al‐MSS) catalyst for the conversion of biobased furfural and 2‐methylfuran into a C15 diesel precursor through a hydroxyalkylation/alkylation (HAA) reaction. A series of Al‐MSS catalysts with different Si/Al ratios and calcination temperatures is prepared and extensively characterized, among which Al‐MSS20‐450 (Si/Al=20 : 1, calcined at 450 °C) exhibits unprecedentedly high reaction efficiency in catalyzing HAA reaction, offering a 94 % product yield at 140 °C in 20 min. The catalyst also gives high product yields across a broad temperature range from 80 °C to 140 °C with varied reaction time. Reaction kinetics reveal that both competitive substrate adsorption and temperature‐dependent system viscosity affect the reaction efficiencies. Correlations between the catalytic activity and surface acid sites disclose that moderate and strong acid sites are primarily responsible for catalysis. Brønsted and Lewis acid sites are found by poisoning assays to work synergistically to catalyze the reaction, with the former being the primary sites. Finally, the catalyst displays good recycling performance, which further highlights its potential for industrial application.
Zinc oxide nanostructured platform for electrochemical detection of heavy metals
Authors: Belcovici Alexandra , Fort Carmen Ioana , Mureşan Laura Elena , Perhaiţa Ioana , Borodi Gheorge , Turdean Graziella Liana 
Published: December 2022

AbstractZnO nanoparticles (ZnO‐NP) were prepared by a facile precipitation technique using di‐isopropyl amine as precipitating agent. The morpho‐structure and porosity of the as‐prepared nano‐powder were investigated by FT‐IR analysis, X‐ray diffraction (XRD), scanning electron microscopy (SEM), and BET analysis. By drop‐casting, a composite film was deposited to obtain ZnO‐NP‐Nafion/GCE modified electrode. The modified electrode was investigated by cyclic voltammetry, electrochemical impedance spectroscopy, and square wave anodic stripping voltammetry (SWASV) for the detection of Pb2+, Cd2+, Cu2+, and Fe3+, and it was successfully applied for the detection of Pb2+ and Cu2+ in real water samples.
A new analytical method for calculating the strain of oil and gas pipeline under a normal fault dislocation
Authors: Hu Wen‐jun , Zhao Yu , Hu Kai‐heng , Chen Gui‐yu , Fu Kai‐wei 
Published: December 2022

AbstractOil and gas pipelines that go through an active normal fault often deform largely and cause serious disasters. On the basis of the beam theory of the elastic foundation and assuming a shape function for the deformed pipeline, a new analytical method is proposed to calculate the pipeline strain under a normal fault. The length of the deformed pipeline is calculated by using a simplified structural mechanical model. Moreover, a three‐dimensional solid finite element model (3D FEM) is developed to calculate the pipeline strain under different working conditions. The developed analytical solution and the numerical results of 3D FEM are compared with the results of the two traditional methods (the dissipated energy method and the Karamitros method). The strain development law predicted by the proposed method and the 3D FEM is in good agreement with that of the dissipated energy method and the Karamitros method. Compared with the existing models, the new analytical method is simpler and more efficient.
Option features and price discovery in convertible bonds
Authors: Jin Liwei , Yuan Xianghui , Peiran Li , Xu Hailun , Lian Feng 
Published: December 2022

AbstractIn this paper, we investigate whether the option features in convertible bonds lead to price discovery. On the basis of minute‐level data from January 2019 to December 2021, we find that the convertible bond market contributes to the price discovery of the stock market by using the thermal optimal path method, and that the option features in convertible bonds are an important factor affecting the price discovery ability. Regression analysis shows that the effect of option features remains significant after controlling for a range of variables, such as the size of the convertible bond, the premium rate, information shock, and volatility. In addition, we further explore the impact of the difference in trading regimes between the convertible bond market and the equity market on price discovery.
Place cells are nonrandomly clustered by field location in CA1 hippocampus
Authors: Wirtshafter Hannah S. , Disterhoft John F. 
Published: December 2022

AbstractA challenge in both modern and historic neuroscience has been achieving an understanding of neuron circuits, and determining the computational and organizational principles that underlie these circuits. Deeper understanding of the organization of brain circuits and cell types, including in the hippocampus, is required for advances in behavioral and cognitive neuroscience, as well as for understanding principles governing brain development and evolution. In this manuscript, we pioneer a new method to analyze the spatial clustering of active neurons in the hippocampus. We use calcium imaging and a rewarded navigation task to record from 100 s of place cells in the CA1 of freely moving rats. We then use statistical techniques developed for and in widespread use in geographic mapping studies, global Moran's I, and local Moran's I to demonstrate that cells that code for similar spatial locations tend to form small spatial clusters. We present evidence that this clustering is not the result of artifacts from calcium imaging, and show that these clusters are primarily formed by cells that have place fields around previously rewarded locations. We go on to show that, although cells with similar place fields tend to form clusters, there is no obvious topographic mapping of environmental location onto the hippocampus, such as seen in the visual cortex. Insights into hippocampal organization, as in this study, can elucidate mechanisms underlying motivational behaviors, spatial navigation, and memory formation.
Knockdown of LINC01138 protects human chondrocytes against IL‐1β‐induced damage by regulating the hsa‐miR‐1207‐5p/KIAA0101 axis
Authors: Zhang Jiangtao , Lv Genbing 
Published: December 2022

AbstractIntroductionLong intergenic non‐protein coding RNA 1138 (LINC01138) plays a vital role in human cancers. In this study, we aimed to investigate the effect of LINC01138 on the progression of osteoarthritis (OA) and explore its potential mechanism of action.MethodsThe expression of LINC01138, hsa‐miR‐1207‐5p, and KIAA0101 in OA tissues and normal tissues was analyzed using GSEA datasets and confirmed in human specimens. Human chondrocytes were treated with interleukin (IL)‐1β to establish an OA cell model. Quantitative real time PCR(qRT‐PCR), enzyme‐linked immunosorbent assay, and western blotting analyses were performed to evaluate the role of LINC01138, hsa‐miR‐1207‐5p, and KIAA0101 during extracellular matrix (ECM) protein degeneration and cellular inflammatory response. The target relationship was predicted using DIANA‐TarBase and TargetScan. The binding effects were verified by dual‐luciferase reporter assay.ResultsLINC01138 expression was higher in OA tissues than in normal controls. LINC01138 levels increased in chondrocytes treated with IL‐1β. Silencing of LINC01138 attenuated the IL‐1β‐induced decrease in Col2α1, aggrecan, and sulphated glycosaminoglycan (sGAG), and inhibited the IL‐1β‐induced increase in matrix metalloproteinase (MMP)‐13, IL‐6, and tumor necrosis factor (TNF)‐α. miR‐1207‐5p is weakly expressed in OA tissues and cell models. The inhibition of hsa‐miR‐1207‐5p, a target of LINC01138, attenuated the effects of LINC01138 silencing on chondrocyte ECM degeneration and inflammatory responses. Silencing KIAA0101, a target of hsa‐miR‐1207‐5p, alleviated the effect of hsa‐miR‐1207‐5p on chondrocyte ECM degeneration and inflammatory responses. Furthermore, silencing of KIAA0101 inhibited the JAK/STAT and Wnt signaling pathways.ConclusionSilencing LINC01138 protected chondrocytes from IL‐1β‐induced damage, possibly by regulating the hsa‐miR‐1207‐5p/KIAA0101 axis.
Extracurricular activities and adjustment among students at disadvantaged high schools: The mediating role of peer relatedness and school belonging
Authors: Bouchard Maxim , Denault Anne‐Sophie , Guay Frédéric 
Published: December 2022

AbstractIntroductionParticipation in extracurricular activities (ECAs) during high school is likely to be associated with higher intrinsic motivation, as well as lower externalizing problems and depressive symptoms, particularly for students in schools located in socioeconomically disadvantaged neighborhoods. However, few studies have explored the processes underlying these positive associations. In this study, we examined whether peer relatedness and school belonging mediated the links between participation in these activities and adolescent academic and psychosocial adjustment and whether another indicator of poverty, namely material deprivation, moderated these links.MethodsCanadian students (n = 638; 59% girls) at disadvantaged high schools were surveyed at two‐time points.Results and ConclusionsResults show that peer relatedness can explain the associations between extracurricular activity participation and (a) school intrinsic motivation and (b) depressive symptoms. Results also revealed that the indirect effect involving the number of activities, peer relatedness, and depressive symptoms was only significant among students living in highly deprived areas. These results highlight the contribution of peer relatedness as a potential mediator of the positive association connecting extracurricular activity participation to adjustment among disadvantaged students.
DP‐coloring Cartesian products of graphs
Authors: Kaul Hemanshu , Mudrock Jeffrey A. , Sharma Gunjan , Stratton Quinn 
Published: December 2022

AbstractDP‐coloring (also called correspondence coloring) is a generalization of list coloring introduced by Dvořák and Postle in 2015. Motivated by results related to list coloring Cartesian products of graphs, we initiate the study of the DP‐chromatic number, , of the same. We show that , where is the coloring number of the graph . We focus on building tools for lower bound arguments for and use them to show the sharpness of the bound above and its various forms. Our results illustrate that the DP‐color function of , the DP analogue of the chromatic polynomial, is essential in the study of the DP‐chromatic number of the Cartesian product of graphs, including the following question that extends the sharpness problem above and the classical result on gap between list‐chromatic number and chromatic number: given any graph and , what is the smallest for which ?
The female orgasm and the homology concept in evolutionary biology
Authors: Basanta Silvia , Nuño de la Rosa Laura 
Published: December 2022

AbstractThe definition of homology and its application to reproductive structures, external genitalia, and the physiology of sexual pleasure has a tortuous history. While nowadays there is a consensus on the developmental homology of genital and reproductive systems, there is no agreement on the physiological translation, or the evolutionary origination and roles, of these structural correspondences and their divergent histories. This paper analyzes the impact of evolutionary perspectives on the homology concept as applied to the female orgasm, and their consequences for the biological and social understanding of female sexuality and reproduction. After a survey of the history of pre‐evolutionary biomedical views on sexual difference and sexual pleasure, we examine how the concept of sexual homology was shaped in the new phylogenetic framework of the late 19th century. We then analyse the debates on the anatomical locus of female pleasure at the crossroads of theories of sexual evolution and new scientific discourses in psychoanalysis and sex studies. Moving back to evolutionary biology, we explore the consequences of neglecting homology in adaptive explanations of the female orgasm. The last two sections investigate the role played by different articulations of the homology concept in evolutionary developmental explanations of the origin and evolution of the female orgasm. These include the role of sexual, developmental homology in the byproduct hypothesis, and a more recent hypothesis where a phylogenetic, physiological concept of homology is used to account for the origination of the female orgasm. We conclude with a brief discussion on the social implications for the understanding of female pleasure derived from these different homology frameworks.
Insights into the interaction between the kusaginin and bovine serum albumin: Multi‐spectroscopic techniques and computational approaches
Authors: Huang Fengwen , Chen Chen 
Published: December 2022

AbstractKusaginin, as a phenylethanoid glycoside, which has exhibited wide antioxidant and antimicrobial properties. The molecular mechanism underlying the broad biological activities of kusaginin has not yet been well documented. In this paper, the interaction of kusaginin with bovine serum albumin (BSA) has been explored by fluorescence spectra, UV‐vis absorption spectra, and circular dichroism (CD) spectra along with computational approaches. The fluorescence experiments showed that kusaginin could strongly quench the intrinsic fluorescence of BSA through both dynamic and static quenching mechanisms. The thermodynamic analysis suggested that hydrophobic force was the main force in stabilizing the BSA‐kusaginin complex. In addition, conformation changes of BSA were observed from three‐dimensional and synchronous fluorescence spectra, UV spectra, and CD spectra under experimental conditions. All these experimental results have been complemented and validated by the molecular docking and dynamic simulation studies, which revealed that kusaginin was bound on the hydrophobic cavity in subdomain IIA of BSA and formed a stable BSA‐kusaginin complex. Finally, density functional theory (DFT) calculation further implied that hydrogen bonds also support stabilizing the BSA‐kusaginin complex. This research may aid in understanding the pharmacological characteristics of kusaginin and provide a vital reference modeling for the design of analogues drugs.