bluuebunny/crossref_metadata_2025_split huggingface dataset:
Spectroscopic Exploration Of Catalyst Dynamics And Electrochemical Properties Of Grubbs Second Generation In Different Solvent
Authors: Odewole O. Abiola , Swart Martinus Rudi , Erasmus Elizabeth 
Published: December 2024

AbstractThe phosphine (PCy3) ligand dissociation equilibrium of the second generation Grubbs catalyst (GII) in different solvents (dichloromethane, dichloroethane, chloroform, tetrahydrofuran, and toluene) was determined to be pseudo first order with kobs=0.8–2.6×10−4 s−1. An electrochemically reversible behavior was observed for GII dissolved in the chlorinated solvents (DCM, DCE, and CLF). The formal reduction potentials, E°′, of GII in the different chlorinated solvents increased with increasing polarity index of the solvent. In THF, however, only oxidation of GII could be detected. Upon oxidation of GII, THF (with a lone pair electron on the oxygen), which is a highly coordinative solvent, nucleophilically attaches to the electrochemically generated Ru⋅+, resulting in a redox inactive THF‐associated compound. A correlation was established between the ease of GII oxidation in the different solvents and the rate of PCy3 dissociation in that solvent. The % yield of GII‐catalyzed cross‐metathesis product in the different solvents at 40 °C increases exponentially with increasing Gutmann donor number of the solvent increased, with DCM showing the highest yield. No metathesis could be detected in THF, consistent with the electrochemical data that THF coordinates to the positively charged or active GII, rending it inactive.
Modular Synthesis of Tetracyclic Heteroarenes via Platinum‐Catalyzed Cyclization of Ethynylbiaryl Precursors
Authors: Jablonkai István , Bogner Marcell M. , Zsignár‐Nagy Barnabás , Simon József , London Gábor 
Published: December 2024

AbstractPolycyclic heteroarenes that contain internal thiophene, furan and pyrrole rings are well‐documented materials due to their presence in fossil fuels and their importance in organic optoelectronic applications. Accordingly, a variety of methods are available for their synthesis. In this report we prepared naphthannulated 4‐membered heteroarene isomers through the PtCl2‐catalyzed 6‐endo cyclization of ethynylbiaryls. Isomers were accessible from two structurally different precursors that contained the ethynyl subunit in different positions. We synthesized two pairs of thiophene‐based ethynylbiaryls where each pair would lead to the same tetracyclic isomer and explored their reactivity in the Pt‐catalyzed transformation. The formation of a detectable amount of inseparable side‐product was observed when the alkyne was introduced onto the benzene ring of the biaryls. This is suggested to be an exo‐methylene group containing derivative that forms via a 5‐exo cyclization pathway. Similarly, naphthannulated benzofuran isomers were prepared following the same strategy and an exo‐methylene‐containing side product was observed when the alkyne unit was on the benzene ring of the biaryl. Finally, novel synthesis methods were described for benzo‐fused carbazoles from ethynylbiaryls containing an alkyne either on the heterocyclic ring or on the phenyl substituent attached to the indole ring. No side‐product formation was detected in this case.
Selective synthesis of cyclic dithiocarbonates using bis‐benzimidazolate salts as multifunctional catalysts
Authors: da Silva Ribeiro Stephany Larissa , Alves de Oliveira Cecília Maria , Pereira da Silva Thaís Vieira , do Rêgo Barros Olga Soares , Edivirges Alvarenga Meiry , Terra Martins Felipe , Sônego Milani Jorge Luiz , das Chagas Rafael Pavão 
Published: December 2024

AbstractCyclic dithiocarbonates of the type 1,3‐oxathiolane‐2‐thione were selectively and efficiently produced from the reaction between epoxides and CS2 using disodium bis‐benzimidazolate salts as catalysts. We have designed and synthesized this group of three nucleophilic catalysts from the neutral forms of bis‐benzimidazole compounds (BBE‐Me, BBE‐H and BBE‐NO2), through simple and efficient procedures. All three catalysts, with aryl substituents possessing different electronic characteristics, were able to selectively catalyze the production of cyclic dithiocarbonates. BBE‐Me proved to be the most effective catalyst in the initial screening with 1,2‐epoxy‐3‐phenoxypropane, converting 95 % of the epoxide with 99 % of selectivity for the cyclic dithiocarbonate 1,3‐oxathiolane‐2‐thione. This catalyst was subsequently used to evaluate various reaction parameters and then several epoxides were selectively converted to the respective cyclic dithiocarbonates, under mild conditions, with a low catalyst loading, short reaction times, and in a solvent‐ and additive‐free system. A mechanistic proposal, supported by high‐resolution mass spectrometry, demonstrated for the first time that a nucleophilic catalyst in this system can simultaneously activate both CS2 and the epoxide molecule.
The Moralization of Women's Bodies
Authors: Morgenroth Thekla , Ryan Michelle K. , Arnold Madisyn F. , Faber Nadira S. 
Published: December 2024

ABSTRACTWomen's bodies have long been subject to societal control. We examine a form of gender/sex bias that may be used to justify and maintain such control: the moralization of women's bodies. Across two studies with US samples (total N = 805), we show that people draw more strongly on morality when justifying their views about women's (vs. men's) autonomy over their bodies. Study 1 showed that a wide range of body‐related behaviours were seen as more of a moral issue for women than for men—a pattern that was absent for behaviours unrelated to bodily autonomy. Study 2 focused on a context with more opposition to women's bodily autonomy (public toplessness) and showed that people drew more strongly on morality when justifying their opposition to women's, compared to men's, bodily autonomy. Exploratory analyses suggested that sexist beliefs may play an important role in such gendered moralization.
Seismic Capacity of Unstrengthened and FRP Strengthened Masonry Arches: Tilting Test and Nonlinear Numerical Analysis
Authors: Tarhan İsmail Hakkı , Savalle Nathanaël , Uysal Habib , da Silva Luis C. M. , Lourenço Paulo B. 
Published: December 2024

ABSTRACTCultural heritage preservation requires a deeper understanding of their seismic response and imposes the use of effective strengthening methods. Fibre‐reinforced polymers (FRP) have emerged as an effective solution for strengthening masonry structural elements. The decision over the optimal configuration for a FRP‐based strengthening is a trade‐off between different objective functions such as strength, inelastic stiffness and cost. Although some studies have explored design alternatives and topology optimisation, experimental investigation remains limited, especially regarding the evaluation of seismic response. This study investigates the seismic capacity of unstrengthened and strengthened mortared–masonry arches through tilting table experiments and numerical simulations. The optimal strengthening arrangement is obtained through topology optimisation, and experimental results demonstrate its performance. A three‐dimensional numerical model, following a macro‐modelling approach through the so‐called concrete damage plasticity material model, is adopted. Numerical results are validated with existing literature and experimental data. A parametric study is conducted for full‐scale arches to evaluate the effect of dimensions and the embrace angle of masonry arches. The study reveals that the numerical model successfully replicates masonry arches' nonlinear behaviour and hinge mechanism. In addition, both experimental and numerical results highlight the effectiveness of optimised strengthening placement achieved through topology optimisation.
Metabolic response of vitamin C and phenolic compounds in fresh‐cut pineapple induced by pulsed electric fields
Authors: Sanches Alex Guimarães , Ferreira Feitosa Elem Maria , Schwob André Colson 
Published: December 2024

AbstractThe loss of nutritional quality is the main factor associated with the perishability of minimally processed foods. In this sense, the application of pulsed electric field (PEF) as an abiotic elicitor to induce stress responses in the metabolism of vitamin C and phenolic compounds in minimally processed pineapple tissues was evaluated. The samples were subjected to treatment with PEF (5 pulses – 3.5 kV m−1) and subsequently stored under refrigeration (10 ± 2°C and 90 ± 5% RH) for a period of 7 days. Pulsed electric field treatment increased total vitamin C (AsA) levels by up to 4.32% up to the third day of storage compared to the control and kept oxidized AsA levels low. This is advocated by the incitement of AsA biosynthesis initiated by the more prominent action of l‐galactone‐1,4‐lactone dehydrogenase—GalLDH and the reusing chemicals (Monodehydroascorbate reductase—MDHA and Dehydroascorbate reductase—DHA) in the ascorbate–glutathione cycle. In the metabolism of phenolic compounds, an increase of 25.26%, 21.48%, and 25.44% was observed for polyphenols, flavonoids, and antioxidant activity in samples treated with PEF in relation to the control, respectively, until the third day of storage. These results were corroborated by the higher phenylalanine ammonia‐lyase (PAL) – PAL synthesis activity and lower polyphenoloxidase—PPO degradative action, which can be seen in the absence of dark spots on the tissues during storage. Considering the consumption and nutritional potential of minimally processed pineapple, the use of PEF is an important technology to increase/preserve the antioxidant potential, ensuring food safety and the visual appearance of the final product.
A Global Lakes/Reservoirs Surface Extent Dataset (GLRSED): An Integration of Multi‐Source Data
Authors: Bai Bingxin , Mu Lixia , Tan Yumin 
Published: December 2024

ABSTRACTThe surface water extent of global lakes/reservoirs is a fundamental input data for many studies. Although some datasets are currently available, issues such as incomplete data or spatial inconsistencies persist. In this study, a new Global Lakes/Reservoirs Surface Extent Dataset (GLRSED), which provides a more comprehensive spatial extent and basic attributes (e.g., name, area, source, depth and type) of 2.17 million individual features, was developed based on HydroLAKES and OpenStreetMap (OSM). In addition, by spatially overlaying with mountainous polygon, lakes/reservoirs in mountainous areas were identified. The Global Reservoir and Dam database (GRanD), GlObal geOreferenced Database of Dams (GOODD), Georeferenced global Dams and Reserves (GeoDAR) dataset, and OSM were used to distinguish reservoirs from natural lakes. The lakes/reservoirs in the rivers were identified by overlaying them with the Surface Water and Ocean Topography (SWOT) Mission River Database (SWORD). Similarly, endorheic, glacier‐fed and permafrost‐fed lakes/reservoirs were identified using the same method. Furthermore, the coverage of the SWOT ground track for each lake/reservoir in the GLRSED was calculated to explore the potential of SWOT in monitoring water resources. Although preliminary and with some limitations, this dataset is promising. It can provide essential data for monitoring global lakes/reservoirs, support refined water resource management, and facilitate comprehensive studies on the impacts of human activities and climate change on these water bodies.
Transcranial Direct Current Stimulation Over Bilateral Temporal Lobes Modulates Hippocampal‐Occipital Functional Connectivity and Visual Short‐Term Memory Precision
Authors: Xie Weizhen , Thakurdesai Sanikaa , Varastegan Sahereh , Zhang Weiwei 
Published: December 2024

ABSTRACTAlthough the medial temporal lobe (MTL) is traditionally considered a region dedicated to long‐term memory, recent neuroimaging and intracranial recording evidence suggests that the MTL also contributes to certain aspects of visual short‐term memory (VSTM), such as the quality or precision of retained VSTM content. This study aims to further investigate the MTL's role in VSTM precision through the application of transcranial direct current stimulation (tDCS) and functional magnetic resonance imaging (fMRI). Participants underwent 1.5 mA offline tDCS over bilateral temporal lobes using left cathodal and right anodal electrodes, administered for either 20 min (active) or 0.5 min within a 20‐min window (sham), in a counterbalanced design. As the electrical current passes through midbrain structures with this bilateral stimulation montage, prior behavioral and modeling evidence suggests that this tDCS protocol can modulate MTL functions. To confirm this and examine its impacts on VSTM, participants completed a VSTM color recall task immediately following tDCS, while undergoing a 20‐min fMRI scan and a subsequent 7.5‐min resting‐state scan, during which they focused on a fixation cross. Behavioral results indicated that this tDCS protocol decreased VSTM precision without significantly affecting overall recall success. Furthermore, psychophysiological interaction analysis revealed that tDCS over the temporal lobe modulated hippocampal‐occipital functional connectivity during the VSTM task, despite no main effect on fMRI BOLD activity. Notably, this modulation was also observed during resting‐state fMRI 15–20 min post‐tDCS, with the magnitude of the effect correlating with participants' behavioral changes in VSTM precision across active and control conditions. Combined, these findings suggest that tDCS over the temporal lobe can modulate the intrinsic functional connectivity between the MTL and visual sensory areas, thereby affecting VSTM precision.
A Crystal Structure of an Oligoproline Hexamer with a Zig‐zag Arrangement
Authors: Schnitzer Tobias , Woods Joseph F. , Trapp Nils , Wennemers Helma 
Published: December 2024

AbstractOligoprolines adopt the well‐defined polyproline II (PPII) helical conformation, even at a short chain length of six residues. These rigid peptides are versatile molecular rulers and scaffolds, yet there has been great difficulty in obtaining single crystals for X‐ray crystal structure analysis to probe their conformation in the solid state. Here, we report a crystal structure of an oligoproline hexamer bearing an N‐terminal terephthalic acid moiety. Comparison with that of a previously obtained crystal structure of a closely related hexaproline revealed influence of the terminal functional groups and the solvent on the crystal packing.
Robust Determinants of Current Account Imbalances in Emerging and Developing Countries
Authors: Mbassi Christophe Martial , Samba Michel Cyrille , Lakouetene Prince de Pierre 
Published: December 2024

ABSTRACTWe aim to identify robust determinants of current account imbalances in 87 emerging and developing countries in the context of model uncertainty and selection bias, from 1980 to 2017. The uncertainty arises from the diversity of competing theories and the contradictory findings of empirical works, while the systemic unavailability of current account data causes selection bias. To overcome these issues, we extend Bayesian Model Averaging (BMA) approach to HeckitBMA in order to address model uncertainty in the presence of selection bias. We find that out of 21 potential determinants, only 10 are robust determinants. However, these determinants differ according to country groupings, and since the 2008 financial crisis, some determinants have gained importance, such as inflation targeting, macroprudential policies, and income inequality. Finally, we find that the determinants of current account surpluses are not strictly the same as those of deficits. Our results shed more light on how policy makers can manage current account imbalances and which levers to use.
Board Gender Diversity and Firm Performance in an Emerging Economy: The Role of Women Directors' Attributes
Authors: Pham Tien‐Minh , Rizov Marian , Vo Xuan Vinh 
Published: December 2024

ABSTRACTDespite the extensive research on board gender diversity (BGD), questions persist regarding its impact on firm performance and the mechanisms through which it operates, especially in emerging economies. This research enhances our understanding of how the attributes of female directors contribute to firm performance. Using data from large, listed firms in Vietnam over the period 2014–2020, we find a positive effect of BGD on firm performance, with a significant impact when at least two women serve on the board. Notably, our results show that women executive directors exert a stronger positive influence than women independent directors. We also demonstrate the importance of women directors' age, rather than their education level, in shaping firm performance. Our findings are robust across various tests. Overall, this study provides compelling evidence that, in the context of emerging economies, BGD's impact on firm performance is driven by older (more experienced) women executive directors.
Community Building in Crisis: Interventions With Displaced Communities in Temporary Housing Shelters
Authors: Posklinsky Iris , Nouman Hani 
Published: December 2024

ABSTRACTEmergency displacement is a widespread phenomenon impacting all facets of life and increasing rates of psychological trauma. This article analyzes the effects of shared residency among evacuated and fragmented communities, focusing on social and communal disparities in temporary shelters. By adopting theoretical perspectives of community building and social capital, it describes interventions aimed at promoting resilience within newly formed shelter communities. A qualitative study was conducted in temporary housing shelters in Israel during wartime. The study included four focus groups with 31 professionals and an analysis of recent emergency protocols. Professional interventions following displacement into temporary evacuation centers create a new reference community, “the shelter community.” These mobilizing interventions include establishing volunteer emergency teams, strengthening community cohesion, and fostering community participation in renewed daily routines. Community building interventions in temporary housing shelters can foster personal and community empowerment following disasters worldwide.
The Potential Role of Bone Morphogenetic Protein‐2/‐4 in Excessive Mechanical Overloading‐Initiated Joint Degeneration
Authors: Hsieh Rong‐Ze , Huang Kuo‐Chin , Su Yu‐Ping , Shi Chung‐Sheng , Chang Shun‐Fu 
Published: December 2024

ABSTRACTExcessive mechanical overloading of articular cartilage caused by excessive exercise or severe trauma is considered a critical trigger in the development of osteoarthritis (OA). However, the available clinical theranostic molecular targets and underlying mechanisms still require more elucidation. Here, we aimed to examine the possibility that bone morphogenetic proteins (BMPs) serve as molecular targets in rat cartilages and human chondrocytes under conditions of excessive mechanical overloading. Two rat models involving high‐intensity running training and surgery for destabilization of medial meniscus, along with a cell model subjected to cyclic tensile strain, were established to simulate and investigate excessive mechanical overloading effects on cartilages/chondrocytes. We employed various methods, including immunohistochemistry, real‐time polymerase chain reaction, western blot analysis, and enzyme‐linked immunosorbent assay, to evaluate the expression, secretion, phosphorylation, and nuclear translocation of mRNA/proteins in cartilages and chondrocytes. Our findings revealed a simultaneous upregulation of BMP‐2 and downregulation of BMP‐4 in degenerated and inflamed cartilages and chondrocytes under excessive mechanical overloading. Furthermore, toll‐like receptor 2 and nuclear factor kappa B‐p50/p65 subunits signaling were identified as regulators governing this distinct expression pattern. Treatment with recombinant BMP‐2 and/or BMP‐4 proteins significantly ameliorated cartilage degeneration and chondrocyte inflammation induced by excessive mechanical overloading. These results strongly suggest that BMP‐2 upregulation and BMP‐4 downregulation might represent mechanisms for self‐rescue and degeneration in damaged cartilage/chondrocytes, respectively. Our findings advance new insights that BMP‐2/‐4 might be potential molecular targets for excessive mechanical overloading‐caused OA development and should be taken into account in future clinical applications.
CO2 capture by new ternary nanocomposite LDH/bayerite/Ag2O in tetrametallic NiZnAgAl layered double hydroxides fabricated via in situ growth
Authors: Wihadi Muh. Nur Khoiru , Maza Muh. Khoirul , Grasianto Grasianto , Sofyan Muhammad Ihsan 
Published: December 2024

AbstractBACKGROUNDCarbon dioxide exerts the most substantial environmental influence of all greenhouse gases. Therefore, creating novel materials that exhibit minimal energy requirements, robust CO2 capture efficiency, outstanding adsorption and selectivity, economic viability and rapid scalability for applications in industry is important. This study aimed to fabricate the new ternary nanocomposite LDH/bayerite/Ag2O in tetrametallic NiZnAgAl layered double hydroxide (LDH) using the hydrothermal method and to investigate its use for efficient CO2 capture.RESULTSThe results showed that tetrametallic NiZnAgAl LDH, bayerite and Ag2O had grown and formed in situ ternary composites in the solid. Various characterization techniques confirmed the presence of tetrametallic NiZnAgAl LDH, bayerite and Ag2O in the composites. The composites exhibit surface areas ranging from 153.34 to 255.02 m2 g−1, pore volumes ranging from 0.19 to 0.26 cm3 g−1 and pore diameters ranging from 4.06 to 4.93 nm. Each composite has a laminar arrangement of stacked flakes, and the surface of the composite is covered with silver oxide. Transmission electron microscopy images exhibit the nano‐hexagonal construction of the composites. The selected area electron diffraction profile exhibited congruence with the X‐ray diffraction data of LDH, bayerite and Ag2O. The composites have an average particle size that ranges from 22.79 to 41.84 nm. The ternary composite exhibits CO2 capture activity with adsorption capacities ranging from 5.88 to 8.29 mmol g−1. We observed that variations in the molar ratios of Ni, Zn and Ag affected the properties of the composites.CONCLUSIONOverall, the new ternary nanocomposites LDH/bayerite/Ag2O in tetrametallic NiZnAgAl LDH exhibit promising potential for CO2 capture applications. © 2024 Society of Chemical Industry (SCI).