bluuebunny/crossref_metadata_2025_split huggingface dataset:
Interactions Between [PdX4]2− (X=Cl, Br) Dianions in Presence of Counterions
Authors: Trzęsowska Natasza , Wysokiński Rafał , Hajlaoui Fadhel , Zouari Nabil , Michalczyk Mariusz , Scheiner Steve , Zierkiewicz Wiktor 
Published: November 2024

AbstractThe interaction between two square palladium (II) dianions PdX42− (X=Cl, Br) is evaluated by crystal study and analyzed by quantum chemical means. The arrangement within the crystal between each pair of PdX42− neighbors is suggestive of a Pd⋅⋅⋅X noncovalent bond, which is verified by a battery of computational protocols. While the potential between these two bare dianions is computed to be highly repulsive, the introduction of even just two counterions makes this interaction attractive, as does the presence of a constellation of point charges. It is concluded that there is indeed a stabilizing Pd⋅⋅⋅X bond, but it is incapable of overcoming the strong coulombic repulsive force between two dianions. While the QTAIM, NBO, and NCI tools can indicate the presence of a noncovalent bond, they are unable to distinguish an attractive from a repulsive interaction.
Unraveling the Role of CuO in CuxO/TiO2 Photocatalyst for the Direct Propylene Epoxidation With O2 in a Fluidized Bed Reactor
Authors: Morante Nicola , Tammaro Olimpia , Monzillo Katia , Sannino Diana , Battiato Alfio , Vittone Ettore , Castellino Micaela , Esposito Serena , Vaiano Vincenzo 
Published: November 2024

AbstractPropylene epoxidation in mild conditions using molecular O2 is a highly desirable reaction that represents a significant challenge in the field of heterogeneous catalysis for the synthesis of oxygenated organic compounds of industrial interest. In this work, CuxO/TiO2 composites with different mominal CuO loadings (in the range of 0.5–8.4 wt %) were used to promote the photocatalytic epoxidation of propylene with molecular oxygen under UV‐A irradiation in a fluidized bed system. The photocatalysts were prepared by a straightforward method consisting of thermal annealing of physical mixtures between copper acetate and sol‐gel‐derived TiO2. Different characterization techniques were employed to assess the influence of CuxO content on the physical‐chemical properties of the CuxO/TiO2 composites. The best combination in terms of propylene conversion and selectivity towards propylene oxide (18.1 % and 72 %, respectively) was obtained with CuxO/TiO2 at 1.1 wt % CuO, as shown by photocatalytic tests. The high propylene oxide selectivity is due to the ability of CuO in the CuxO/TiO2 composite to transform molecular O2 into hydrogen peroxide that, in turn, is able to directly oxidize propylene to propylene oxide. By using a UV‐A light intensity of 297.2 mW cm−2, the propylene conversion and the epoxide yield were 31.5 and 22.2 %, respectively, significantly higher than that reported in the literature. Moreover, the energy consumption of the reaction system employed in this paper was significantly lower than that of photocatalytic systems studied in the literature dealing with selective propylene epoxidation.
Radiation Chemistry Reveals the Reaction Mechanisms Involved in the Reduction of Vinylene Carbonate in the Solid Electrolyte Interphase of Lithium‐Ion Batteries
Authors: Souid Yanis , Puget Marin , Ortiz Daniel , Piveteau Laura , Denisov Sergey , Herlin‐Boime Nathalie , Mostafavi Mehran , Dognon Jean‐Pierre , Le Caër Sophie 
Published: November 2024

AbstractA safe and efficient lithium‐ion battery requires including an additive in the electrolyte. Among the additives used, vinylene carbonate (VC) is particularly interesting, because it leads to the formation of a stable and protective solid electrolyte interphase (SEI) on the negative electrode. However, the reduction behavior of VC, resulting in polymer formation, is complex, and many questions remain as to the corresponding reaction mechanisms. In particular, in conventional battery studies, it is not possible to observe the transient species formed during reduction. Using picosecond pulsed radiolysis coupled with theoretical chemistry calculations, we showed that, once formed, the anion radical VC⋅− can undergo ring opening in a few nanoseconds or generate VC2⋅−. Within 100 ns, each of these anions then leads to the formation of VCC3H2O3⋅−. This latter species starts oligomerizing. Eventually, a polymer is formed. Although it mainly consists of poly(VC) units, other chemical functions, such as alkyl groups, are also present, which highlights the role played by water, even in trace amounts. Lastly, we propose a scheme of the reaction mechanisms involved in VC reduction, leading to its polymerization. Clearly, the polymer formed from VC at the SEI of lithium‐ion batteries has a complex structure.
Constructing Asymmetric Cu Catalytic Sites for CO2 Electroreduction with Higher Selectivity to C2 Products
Authors: Meng Fanfei , Yao Xiaohui , He Jingting , Gu Jianxia , Li Wei , Sun Chunyi , Wang Xinlong , Su Zhongmin 
Published: November 2024

AbstractThe design of catalytic sites with tunable properties is considered a promising approach to advance the reduction of CO2 into valuable fuels and chemicals, as well as to achieve carbon neutrality. However, significant challenges remain in precisely constructing catalytic sites to adjust target reduction products. In this study, catalysts were derived from metal‐organic frameworks (MOFs) with different coordination environments during the electrochemical CO2 reduction reaction (eCO2RR), referred to as Cu‐N2O2 and Cu‐N2O3, respectively. Higher selectivity towards the production of C2 products was exhibited by the Cu‐N2O2‐derived catalysts, characterized by asymmetric catalytic centers of Cu0 and Cu+, compared to the Cu‐N2O3‐derived catalysts, which contained only symmetric catalytic centers of Cu0 sites. This enhanced selectivity is attributed to the synergistic interaction between the Cu0 and Cu+ sites, facilitating the multi‐electron transfer process and improving the activation of CO2. This study explores how the coordination environment affects the catalytic performance of catalysts derived from MOFs, providing valuable insights for the development of more effective catalysts aimed at CO2 reduction.
Wheat field earthworms under divergent farming systems across a European climate gradient
Authors: Nuutinen Visa , Briones Maria J. I. , Schrader Stefan , Dekemati Igor , Grujić Nikola , Hyvönen Juha , Ivask Mari , Lassen Simon Bo , Lloret Eva , Ollio Irene , Pérez‐Rodríguez Paula , Simon Barbara , Sutri Merit , de Sutter Nancy , Brandt Kristian K. , Peltoniemi Krista , Shanskiy Merrit , Waeyenberge Lieven , Martínez‐Martínez Silvia , Fernández‐Calviño David 
Published: November 2024

AbstractEarthworms are a key faunal group in agricultural soils, but little is known on how farming systems affect their communities across wide climatic gradients and how farming system choice might mediate earthworms' exposure to climate conditions. Here, we studied arable soil earthworm communities on wheat fields across a European climatic gradient, covering nine pedo‐climatic zones, from Mediterranean to Boreal (S to N) and from Lusitanian to Pannonian (W to E). In each zone, 20–25 wheat fields under conventional or organic farming were sampled. Community metrics (total abundance, fresh mass, and species richness and composition) were combined with data on climate conditions, soil properties, and field management and analyzed with mixed models. There were no statistically discernible differences between organic and conventional farming for any of the community metrics. The effects of refined arable management factors were also not detected, except for an elevated proportion of subsurface‐feeding earthworms when crop residues were incorporated. Soil properties were not significantly associated with earthworm community variations, which in the case of soil texture was likely due to low variation in the data. Pedo‐climatic zone was an overridingly important factor in explaining the variation in community metrics. The Boreal zone had the highest mean total abundance (179 individuals m−2) and fresh mass (86 g m−2) of earthworms while the southernmost Mediterranean zones had the lowest metrics (<1 individual m−2 and <1 g m−2). Within each field, species richness was low across the zones, with the highest values being recorded at the Nemoral and North Atlantic zones (mean of 2–3 species per field) and declining from there toward north and south. No litter‐dwelling species were found in the southernmost, Mediterranean zones. These regional trends were discernibly related to climate, with the community metrics declining with the increasing mean annual temperature. The current continent‐wide warming of Europe and related increase of severe and rapid onsetting droughts will likely deteriorate the living conditions of earthworms, particularly in southern Europe. The lack of interaction between the pedo‐climatic zone and the farming system in our data for any of the earthworm community metrics may indicate limited opportunities for alleviating the negative effects of a warming climate in cereal field soils of Europe.
Complex interactive responses of biodiversity to multiple environmental drivers
Authors: Zhang Zeyu , Chase Jonathan M. , Bearup Daniel , Liao Jinbao 
Published: November 2024

AbstractThere remains considerable doubt, debate, and confusion regarding how biodiversity responds to gradients of important environmental drivers, such as habitat size, resource productivity, and disturbance. Here we develop a simple but comprehensive theoretical framework based on competition–colonization multispecies communities to examine the separate and interactive effects of these drivers. Using both numerical simulations and analytical arguments, we demonstrate that the critical trade‐off between competitive and colonization ability can lead to complex nonlinear, zig‐zag responses in both species richness and the inverse Simpson index along gradients of these drivers. Furthermore, we find strong interactions between these drivers that can dramatically shift the response of biodiversity to these gradients. The zig‐zag patterns in biodiversity along ecological gradients, together with the strong interactions between the drivers, can explain the mixed findings of empirical studies and syntheses, thereby providing a new paradigm that can reconcile debates on the relationships between biodiversity and multiple drivers.
Design of long‐wavelength infrared InAs/InAsSb type‐II superlattice avalanche photodetector with stepped grading layer
Authors: Cheng Keming , Shen Kai , Li Chuang , Guo Daqian , Wang Hao , Wu Jiang 
Published: November 2024

AbstractWeak response in long‐wavelength infrared (LWIR) detection has long been a perennial concern, significantly limiting the reliability of applications. Avalanche photodetectors (APDs) offer excellent responsivity but are plagued by high dark current during the multiplication process. Here, we propose a high‐performance type‐II superlattices (T2SLs) LWIR APD to address these issues. The low Auger recombination rate of the InAs/InAsSb T2SLs absorption layer is exploited to reduce the dark current initially. AlAsSb with a low k value is employed as the multiplication layer to suppress device noise while maintaining sufficient gain. To facilitate carrier transport, the conduction band discontinuity is optimized by inserting an InAs/AlSb T2SLs stepped grading layer between the absorption and multiplication layers. As a result, the device exhibits excellent photoresponse at 8.4 μm at 100 K and maintains a low dark current density of 5.48 × 10−2 A/cm2. Specifically, it achieves a maximum gain of 366, a responsivity of 650 A/W, and a quantum efficiency of 26.28% under breakdown voltage. This design offers a promising solution for the advancement of LWIR detection.
A Varying Precision Beta Prime Autoregressive Moving Average Model With Application to Water Flow Data
Authors: Santos Kleber H. , Cribari‐Neto Francisco 
Published: November 2024

ABSTRACTWe introduce a dynamic model tailored for positively valued time series. It accommodates both autoregressive and moving average dynamics and allows for explanatory variables. The underlying assumption is that each random variable follows, conditional on the set of previous information, the beta prime distribution. A novel feature of the proposed model is that both the conditional mean and conditional precision evolve over time. The model thus comprises two dynamic submodels, one for each parameter. The proposed model for the conditional precision parameter is parsimonious, incorporating first‐order time dependence. Changes over time in the shape of the density are determined by the time evolution of two parameters, and not just of the conditional mean. We present simple closed‐form expressions for the model's conditional log‐likelihood function, score vector, and Fisher's information matrix. Monte Carlo simulation results are presented. Finally, we use the proposed approach to model and forecast two seasonal water flow time series. Specifically, we model the inflow and outflow rates of the reservoirs of two hydroelectric power plants. Overall, the forecasts obtained using the proposed model are more accurate than those yielded by alternative models.
Fiscal Forecasting Rationality Among Expert Forecasters
Authors: Chocobar Belen , Claeys Peter , Poplawski‐Ribeiro Marcos 
Published: November 2024

ABSTRACTMacroeconomic theories attribute rigidities in expectations formation to two mechanisms: sticky or noisy information. Recent advances in testing time variations in forecast dispersion—using the fluctuation rationality test—allow detecting departures from forecaster rationality over time. Relating individual forecaster behavior to economic or political factors on a panel of budget balance forecasts from Consensus Economics, a large panel of individual expert forecasters in four major OECD countries between 1993 to 2023, we find evidence for forecaster behavior in line with noisy information. Traditional full‐sample tests show that forecasters are not rational, but this is due to an overly pessimistic reaction to sudden big shifts, like the global financial crisis or the pandemic. In normal times, forecasters do systematically incorporate economic and political news in budget forecast revisions.
Predictors of Gastrostomy Tube Placement in Head and Neck Cancer Patients Undergoing Radiation or Chemoradiotherapy: A Systematic Review
Authors: Xiao Jenny B. , Cherukupalli Abhiram , Tran Khanh Linh , Prisman Eitan 
Published: November 2024

ABSTRACTBackgroundMalnutrition is a major problem in head and neck cancer (HNC) with up to half of patients requiring gastrostomy tube (G‐tube) placement. Predicting this need remains complex given mixed evidence surrounding its usage.MethodsA comprehensive search was performed to identify studies examining risk factors associated with G‐tube placement following radiotherapy (RT) or concurrent chemoradiotherapy (CCRT) in HNC patients.ResultsSixteen retrospective studies were included (n = 11 015). The overall prevalence of G‐tube placement was 44% with 76% of patients receiving reactive G‐tube placement. Pretreatment dysphagia, pretreatment BMI < 18.5, and tumors in the hypopharynx were significant predictive factors for prophylactic G‐tube placement. Type of chemotherapy regimen, tumors in the nasopharynx, and cytokine changes were significant predictive factors for reactive G‐tube placement.ConclusionSeveral factors were identified that contribute to increased risk of G‐tube placement and may guide current decision‐making algorithms.
Does National Insecurity Motivate Ambiguous Financial Reporting? An Insight Into Terrorism
Authors: Hoang Huy Viet 
Published: November 2024

ABSTRACTTerrorism brings forth social disorder and obstructs economic activities at both macro‐ and micro‐level. This study examines the quality of corporate financial reporting under the influence of terrorism among U.S. listed firms. Using the fixed effect estimator in a sample stretching from 2007 to 2020, I document that firms employ greater accruals in the face of terrorism, and accruals extend in both directions. This negative association stay robust with different model specifications and endogeneity diagnoses. The state‐level analysis supports this inverse relationship by revealing a larger decline in earnings quality among firms located in states where terrorist attacks take place. The channel analysis shows that corporate monitoring efforts, including board diligence, ethical values, and market attention, serve as a channel which transmits the impact of terrorism to corporate earnings quality. Additionally, economic sanction imposition from the U.S. government also curtails the detrimental effect of terrorism on firms' earnings quality. This study's findings shed light on corporate responses to terrorism threats through the financial reporting lens and suggest some implications as well as future research directions for interested scholars.
Institutional Shareholders, Board Gender Diversity, and Firm Performance
Authors: Mishra Chandra S. 
Published: November 2024

ABSTRACTMy research examines the relationship between two important methods of governance, specifically, institutional ownership and the presence of women on the board of directors. I examine two hypotheses, namely, the stealth‐trading and political attention hypotheses, by employing fractional logit models and zero‐inflated Poisson models. The analysis is conducted on a dataset consisting of 480,780 observations from 2000 to 2018. I find a negative relation between the shares held by institutions and the number of female directors on the board. This supports the stealth‐trading hypothesis. Moreover, I find that public pension funds have a beneficial influence on the presence of female directors, which aligns with the political attention hypothesis. Public pension funds may promote their political agenda by endorsing board gender diversity. Institutional investors with long‐term investment strategies, such as dedicated institutions and quasi‐indexed funds, play a beneficial role in increasing the representation of women on corporate boards. These institutions are expected to appeal to investors that prioritise social responsibility. Female directorships favourably influence the return on assets and Tobin's Q, but an unfavourable influence on market‐adjusted stock return and excess asset return. I find a positive relation between institutional ownership and firm performance when there are few female directors, but a negative relation when there are more female directors, consistent with the critical mass theory in that having more female directors in the firm leads to a greater amount of information being shared, in line with the stealth‐trading hypothesis.
Obstetrics and gynecology devices designed for low‐ and middle‐income countries: A narrative review
Authors: Thiyagarajan Dhanalakshmi , Adanu Enaam A. , Amico K. Rivet 
Published: November 2024

AbstractThere are many barriers contributing to poor health outcomes for women in low‐ and middle‐income countries (LMICs), one of which is the lack of necessary medical devices. Presently, the development of various kinds of devices intended to improve women's health outcomes specifically in LMICs remains underrepresented in the literature; therefore, we performed a narrative review to understand this current state of literature. A literature search was conducted in Scopus and Overton between December 2023 to February 2024, and PubMed in October 2024 to broadly explore peer‐reviewed publications focusing on understanding the development of devices used specifically in obstetrics and gynecology (OBGYN) care in LMICs. The initial search identified 132 published manuscripts: 114 non‐duplicates from 1993 to 2024. After a two‐research team member independent review, 22 manuscripts from 2011 to 2023 were included, and 18 devices identified. Nine devices focus on postpartum hemorrhage, four on general obstetrics, one on fetal monitoring, one on vaginal deliveries, one on gynecology hemorrhage, one on gynecology screening, and one on OBGYN anesthesia. This review provides recommendations for areas of improvement of key gaps affecting the development and implementation of OBGYN devices for use in LMICs. Recommendations are provided for various stages of the development to early commercialization phases. We believe future incorporation of these recommendations can aid in equitable and implementable medical device design for OBGYN care in LMICs.
Dabrafenib Inhibits Egr‐1‐Mediated Adhesion of Thyroid Cancer Cells to Pulmonary Microvascular Endothelium
Authors: Qin Yanchao , Ding Wei , Wu Xuesong , Qin Dongguang 
Published: November 2024

ABSTRACTCell‐cell adhesion between thyroid tumor cells and pulmonary endothelial cells plays a critical role in the development of lung metastases from primary thyroid cancer. Dabrafenib, a selective inhibitor for B‐RAF kinase, has been approved for cancer treatment. However, its effects on pulmonary metastases originating from primary thyroid cancer remain unclear. In this study, we demonstrate that conditioned medium (CM) from the thyroid cancer SW579 cell line significantly elevated the expression of pro‐inflammatory cytokines HMGB‐1, IL‐1β, and MCP‐1 in human pulmonary microvascular endothelial cells (HPMECs), which was notably reduced by Dabrafenib. Additionally, exposure to the thyroid cancer SW579 CM increased the expression of endothelial adhesion molecules VCAM‐1 and ICAM‐1, as well as the adhesion of thyroid cancer SW579 cells to HPMECs, both of which were prevented by Dabrafenib. We also found that Dabrafenib mitigated oxidative stress induced by SW579 CM, as evidenced by increased glutathione peroxidase (GSH‐Px) activity and reduced malondialdehyde (MDA) levels. Further investigation revealed that Dabrafenib's beneficial effects were mediated through the inhibition of Egr‐1, and overexpression of Egr‐1 reversed Dabrafenib's protective effect on the adhesion of thyroid cancer cells to HPMECs. Based on these results, we propose that Dabrafenib may have the potential to prevent pulmonary metastases of thyroid cancer cells.