bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reinforced SnO2 tensile‐strength and “buffer‐spring” interfaces for efficient inorganic perovskite solar cells
Authors: Zhao Yuanyuan , Gao Lei , Wang Qiurui , Zhang Qiang , Yang Xiya , Zhu Jingwei , Huang Hao , Duan Jialong , Tang Qunwei 
Published: February 2024

AbstractSuppressing nonradiative recombination and releasing residual strain are prerequisites to improving the efficiency and stability of perovskite solar cells (PSCs). Here, long‐chain polyacrylic acid (PAA) is used to reinforce SnO2 film and passivate SnO2 defects, forming a structure similar to “reinforced concrete” with high tensile strength and fewer microcracks. Simultaneously, PAA is also introduced to the SnO2/perovskite interface as a “buffer spring” to release residual strain, which also acts as a “dual‐side passivation interlayer” to passivate the oxygen vacancies of SnO2 and Pb dangling bonds in halide perovskites. As a result, the best inorganic CsPbBr3 PSC achieves a champion power conversion efficiency of 10.83% with an ultrahigh open‐circuit voltage of 1.674 V. The unencapsulated PSC shows excellent stability under 80% relative humidity and 80°C over 120 days.
Palladium‐Catalyzed Carbonylation Reaction of Indole/Pyrrole Involving HCFO‐1233zd (E)
Authors: Zhao Xiao‐Wei , Zhu Wen‐Qing , Yu‐Jing  , Shi Yi‐Ran , Zhang Jin , Li Hong , Yang Min‐Ge , Fan Qiang‐Wei , Li Yang 
Published: February 2024

Abstract3‐Indole‐3‐one is a key intermediate in the synthesis of many drugs and plays an important role in synthetic chemistry and biochemistry. A new method for synthesizing trifluoromethylated 3‐indoleketones by Pd(0)‐catalyzed carbonylation was introduced. In the absence of additives, 1‐chloro‐3,3,3‐trifluoropropyl (an inexpensive and environmentally friendly synthetic block of trifluoromethyl) reacts with indole and carbon monoxide to generate trifluoromethylindole ketones with good yields, regioselectivity, and chemical selectivity; furthermore, the products exhibit strong resistance to basic functional groups, such as alkynes, aldehydes, and esters. In addition to the conversion of indole compounds into corresponding products, pyrrole and heteroindole may be suitable for corresponding chemical transformations. This study provides a synthetic method for the further construction of trifluoromethylated 3‐indole ketones.
Palladium‐Catalyzed Enantioselective [4+2] Cycloaddition of 4‐Vinylbenzodioxinones with Barbiturate‐Derived Alkenes: Con‐struction of Chiral Spirobarbiturate−Chromanes
Authors: Tang Yi , Huang Mingxia , Ding Siyuan , Liu Xinyao , Huyang Xiaochun , Wang Bo , Guo Hongchao 
Published: February 2024

AbstractIn this paper, Pd‐catalyzed [4+2] decarboxylative cycloaddition of 4‐vinylbenzodioxinones with barbiturate‐derived alkenes has been developed, leading to various spirobarbiturate−chromane derivatives in high yields with excellent diastereo‐ and enantioselectivities. The scale‐up reaction and further derivation of the product were demonstrated. A plausible reaction mechanism was also proposed.
Reversible Coupling of Germylone with Isocyanates
Authors: Tho Nguyen Minh , Gusev Dmitry G. , Dmitrienko Anton , Pilkington Melanie , Nikonov Georgii I. 
Published: February 2024

AbstractThe germylone dimNHCGe (5, dimNHC=diimino N‐heterocyclic carbene) undergoes a [2+2] cycloaddition with isocyanates RNCO (R=4‐tolyl or 3,5‐xylyl) to furnish novel alkyl carboxamido germylenes 7 (R=4‐tolyl) and 8 (R=3,5‐xylyl), featuring a C−C bond between the former carbene carbon and the isocyanate moiety. Heating a mixture of 8 with 4‐tolyl isocyanate to 100 °C results in isocyanate metathesis, demonstrating reversible C−C bond formation on the reduced germanium compound. DFT calculations suggest that this process occurs via the reductive dissociation of isocyanate from 8 that regenerates the parent Ge(0) compound 5.
Probing the Molecular Structure and Dynamics of Membrane‐Bound Proteins during Misfolding Processes by Sum‐Frequency Generation Vibrational Spectroscopy
Authors: Zheng Xiaoxuan , Ni Zijian , Pei Quanbing , Wang Mengmeng , Tan Junjun , Bai Shiyu , Shi Fangwen , Ye Shuji 
Published: February 2024

AbstractProtein misfolding and amyloid formation are implicated in the protein dysfunction, but the underlying mechanism remains to be clarified due to the lack of effective tools for detecting the transient intermediates. Sum frequency generation vibrational spectroscopy (SFG‐VS) has emerged as a powerful tool for identifying the structure and dynamics of proteins at the interfaces. In this review, we summarize recent SFG‐VS studies on the structure and dynamics of membrane‐bound proteins during misfolding processes. This paper first introduces the methods for determining the secondary structure of interfacial proteins: combining chiral and achiral spectra of amide A and amide I bands and combining amide I, amide II, and amide III spectral features. To demonstrate the ability of SFG‐VS in investigating the interfacial protein misfolding and amyloid formation, studies on the interactions between different peptides/proteins (islet amyloid polypeptide, amyloid β, prion protein, fused in sarcoma protein, hen egg‐white lysozyme, fusing fusion peptide, class I hydrophobin SC3 and class II hydrophobin HFBI) and surfaces such as lipid membranes are discussed. These molecular‐level studies revealed that SFG‐VS can provide a unique understanding of the mechanism of interfacial protein misfolding and amyloid formation in real time, in situ and without any exogenous labeling.
New Chemistries for Degradable Pressure‐Sensitive Adhesive Networks
Authors: Abu Bakar Rohani , Keddie Joseph L. , Roth Peter J. 
Published: February 2024

AbstractWith the increasing use of pressure‐sensitive adhesives (PSAs) in various industries, there is a need for greater sustainability, particularly in developing polymer materials from renewable resources, as well as the reuse and recycling of materials to reduce environmental impact, reduce waste, or extend their life. Here, we outlined the required properties of PSAs which are governed by the molecular parameters (molecular weights, dispersities, molecular weight between entanglement, molecular weight between cross‐links and gel content) of polymer materials which subsequently define the physical properties (storage and loss moduli, glass transition temperature) that are required for good performance in peel, tack and shear tests. The sustainable approach discussed here is the development of degradable polymer materials featuring selectively degradable linkages in the backbone. This provides a viable alternative for the design of PSAs that could overcome the ‘stickies’ problem and make the recycling of glass and cardboard more efficient.
ESG, ESG rating divergence and earnings management: Evidence from China
Authors: Mao Zhihong , Wang Siyang , Lin Yu‐En 
Published: February 2024

AbstractThe existing studies on the relationship between ESG and earnings management provide mixed evidence and ignore ESG rating divergence. Using a sample of Chinese listed firms from 2009 to 2021, we examine the effect of ESG performance on earnings management under different levels of ESG rating divergence. The results reveal a negative association between ESG performance and earnings management. Meanwhile, among firms with high (low) ESG rating divergence, our results show that the degree of earnings management rises (falls) when the firms engage in ESG practices. Our findings are robust to alternative variable definitions and the Heckman two‐stage selection model. In addition, we exclude alternative explanations and consider the effect of greenwashing. Cross‐sectional analyses show that the moderating effect of ESG rating divergence is significant only among firms with greater CEO power and higher agency costs, suggesting that agency problems are the mechanism by which ESG rating divergence positively moderates the relationship between ESG performance and earnings management. This study advances the existing research on ESG and earnings quality by presenting new empirical evidence and revisits ESG rating divergence through the lens of agency theory, revealing that management could use ESG for opportunistic behavior in the presence of ESG rating divergence. Our study shows that the divergence in ESG ratings can affect the economic consequences of firms' ESG practices, offering insights for future research on ESG and ESG rating divergence and for regulators to improve the regulation of ESG disclosure and rating.
Electrodeposition of PdPt Nanoparticles on Edges and S‐Vacancies in Exfoliated MoS2 Nanosheets for Enhanced Hydrogen Evolution Activity
Authors: Gautam Sakshi , Chugh Sachin , Gates Byron D. 
Published: February 2024

AbstractDeposition of metal nanoparticles onto the molybdenum disulfide (MoS2) nanosheets is an efficient method to tune the electronic structure of the MoS2 and maximize its catalytic performance towards the hydrogen evolution reaction (HER). Herein, we report the electrodeposition of Pd and Pt nanoparticles onto desulfurized MoS2 nanosheets (MoS2–x) to achieve an improved HER activity in an acidic electrolyte. The initial MoS2 powder was exfoliated and isolated through centrifugation, followed by electrochemical desulfurization to create defect sites. Subsequently, Pt and Pd nanoparticles were electrodeposited onto the S‐vacancies of MoS2–x nanosheets. The resulting PdPt nanoparticles, with a diameter of 3.3 ±1.7 nm, were distributed across the surfaces of the nanosheets. A preferential deposition was evident at the edges of the nanosheets, particularly when Pd was deposited first followed by Pt. Owing to this preferential deposition of Pd and Pt and the synergistic interaction of MoS2–x with Pd and Pt, the prepared catalyst exhibited a low overpotential of 30 mV at 10 mA cm−2, which is 2.7× lower than the MoS2–x alone. The prepared catalyst exhibited a 1.7× increase in the mass activity at 20 mV overpotential, relative to that of a commercial Pt/C nanocatalyst, showcasing its promising potential as an alternative catalyst.
Optimal allocation of resources among general and species‐specific tools for plant pest biosecurity surveillance
Authors: Nguyen Hoa‐Thi‐Minh , Chu Long , Liebhold Andrew M. , Epanchin‐Niell Rebecca , Kean John M. , Kompas Tom , Robinson Andrew P. , Brockerhoff Eckehard G. , Moore Joslin L. 
Published: February 2024

AbstractThis paper proposes a surveillance model for plant pests that can optimally allocate resources among survey tools with varying properties. While some survey tools are highly specific for the detection of a single pest species, others are more generalized. There is considerable variation in the cost and sensitivity of these tools, but there are no guidelines or frameworks for identifying which tools are most cost‐effective when used in surveillance programs that target the detection of newly invaded populations. To address this gap, we applied our model to design a trapping surveillance program in New Zealand for bark‐ and wood‐boring insects, some of the most serious forest pests worldwide. Our findings show that exclusively utilizing generalized traps (GTs) proves to be highly cost‐effective across a wide range of scenarios, particularly when they are capable of capturing all pest species. Implementing surveillance programs that only employ specialized traps (ST) is cost‐effective only when these traps can detect highly damaging pests. However, even in such cases, they significantly lag in cost‐effectiveness compared to GT‐only programs due to their restricted coverage. When both GTs and STs are used in an integrated surveillance program, the total expected cost (TEC) generally diminishes when compared to programs relying on a single type of trap. However, this relative reduction in TEC is only marginally larger than that achieved with GT‐only programs, as long as highly damaging species can be detected by GTs. The proportion of STs among the optimal required traps fluctuates based on several factors, including the relative pricing of GTs and STs, pest arrival rates, potential damage, and, more prominently, the coverage capacity of GTs. Our analysis suggests that deploying GTs extensively across landscapes appears to be more cost‐effective in areas with either very high or very low levels of relative risk density, potential damage, and arrival rate. Finally, STs are less likely to be required when the pests that are detected by those tools have a higher likelihood of successful eradication because delaying detection becomes less costly for these species.
High‐resolution environmental and host‐related factors impacting questing Ixodes scapularis at their northern range edge
Authors: Crandall Kirsten E. , Millien Virginie , Kerr Jeremy T. 
Published: February 2024

AbstractThe geographic range of tick populations has expanded in Canada due to climate warming and the associated poleward range shifts of their vertebrate hosts. Abiotic factors, such as temperature, precipitation, and snow, are known to directly affect tick abundance. Yet, biotic factors, such as the abundance and diversity of mammal hosts, may also alter tick abundance and consequent tick‐borne disease risk. Here, we incorporated host surveillance data with high‐resolution environmental data to evaluate the combined impact of abiotic and biotic factors on questing Ixodes scapularis abundance in Ontario and Quebec, Canada. High‐resolution abiotic factors were derived from remote sensing satellites and meteorological towers, while biotic factors related to mammal hosts were derived from active surveillance data that we collected in the field. Generalized additive models were used to determine the relative importance of abiotic and biotic factors on questing I. scapularis abundance. Combinations of abiotic and biotic factors were identified as important drivers of abundances of questing I. scapularis. Positive and negative linear relationships were found for questing I. scapularis abundance with monthly mean precipitation and accumulated snow, but no effect was found for the relative abundance of white‐footed mice. Positive relationships were also identified between questing I. scapularis abundance with monthly mean precipitation and mammal species richness. Therefore, future studies that assess I. scapularis should incorporate host surveillance data with high‐resolution environmental factors to determine the key drivers impacting the abundance and geographic spread of tick populations and tick‐borne pathogens.
Acoustic features as a tool to visualize and explore marine soundscapes: Applications illustrated using marine mammal passive acoustic monitoring datasets
Authors: Cominelli Simone , Bellin Nicolo' , Brown Carissa D. , Rossi Valeria , Lawson Jack 
Published: February 2024

AbstractPassive Acoustic Monitoring (PAM) is emerging as a solution for monitoring species and environmental change over large spatial and temporal scales. However, drawing rigorous conclusions based on acoustic recordings is challenging, as there is no consensus over which approaches are best suited for characterizing marine acoustic environments. Here, we describe the application of multiple machine‐learning techniques to the analysis of two PAM datasets. We combine pre‐trained acoustic classification models (VGGish, NOAA and Google Humpback Whale Detector), dimensionality reduction (UMAP), and balanced random forest algorithms to demonstrate how machine‐learned acoustic features capture different aspects of the marine acoustic environment. The UMAP dimensions derived from VGGish acoustic features exhibited good performance in separating marine mammal vocalizations according to species and locations. RF models trained on the acoustic features performed well for labeled sounds in the 8 kHz range; however, low‐ and high‐frequency sounds could not be classified using this approach. The workflow presented here shows how acoustic feature extraction, visualization, and analysis allow establishing a link between ecologically relevant information and PAM recordings at multiple scales, ranging from large‐scale changes in the environment (i.e., changes in wind speed) to the identification of marine mammal species.
Coexistence mechanism of ecological specialists and generalists based on a network dimension reduction method
Authors: Duan Dongli , Hang Jiale , Wu Chengxing , Bai Xue , Rong Yisheng , Hou Gege 
Published: February 2024

AbstractAs an ecological strategy for species coexistence, some species adapt to a wide range of habitats, while others specialize in particular environments. Such ‘generalists’ and ‘specialists’ achieve normal ecological balance through a complex network of interactions between species. However, the role of these interactions in maintaining the coexistence of generalist and specialist species has not been elucidated within a general theoretical framework. Here, we analyze the ecological mechanism for the coexistence of specialist and generalist species in a class of mutualistic and competitive interaction ecosystems based on the network dimension reduction method. We find that ecological specialists and generalists can be identified based on the number of their respective interactions. We also find, using real‐world empirical network simulations, that the removal of ecological generalists can lead to the collapse of local ecosystems, which is rarely observed with the loss of ecological specialists.
The cumulative niche approach: A framework to assess the performance of ecological niche model projections
Authors: Arlé Eduardo , Knight Tiffany Marie , Jiménez‐Muñoz Marina , Biancolini Dino , Belmaker Jonathan , Meyer Carsten 
Published: February 2024

AbstractEcological Niche Models (ENMs) are often used to project species distributions within alien ranges and in future climatic scenarios. However, ENMs depend on species‐environment equilibrium, which may be absent for actively expanding species. We present a novel framework to estimate whether species have reached environmental equilibrium in their native and alien ranges. The method is based on the estimation of niche breadth with the accumulation of species occurrences. An asymptote will indicate exhaustive knowledge of the realised niches. We demonstrate the CNA framework for 26 species of mammals, amphibians, and birds. Possible outcomes of the framework include: (1) There is enough data to quantify the native and alien realised niches, allowing us to calculate niche expansion between the native and alien ranges, also indicating that ENMs can be reliably projected to new environmental conditions. (2) The data in the native range is not adequate but an asymptote is reached in the alien realised niche, indicating low confidence in our ability to evaluate niche expansion in the alien range but high confidence in model projections to new environmental conditions within the alien range. (3) There is enough data to quantify the native realised niche, but not enough knowledge about the alien realised niche, hindering the reliability of projections beyond sampled conditions. (4) Both the native and alien ranges do not reach an asymptote, and thus few robust conclusions about the species’ niche or future projections can be made. Our framework can be used to detect species’ environmental equilibrium in both the native and alien ranges, to quantify changes in the realised niche during the invasion processes, and to estimate the likely accuracy of model projections to new environmental conditions.
Electrochemical detection of bicalutamide in sepiolite clay sensing platform: Its possible electrooxidation mechanism, determination, and DNA interaction
Authors: Bayraktepe Dilek Eskiköy , Polat Kamran , Yıldız Ceren , Yazan Zehra 
Published: February 2024

AbstractA carbon paste sensor was modified with sepiolite clay particles (SC/CPE) to quantify the bicalutamide (BICA). BICA's probable oxidation mechanism and the interaction between calf thymus DNA (dsDNA) were investigated (in aqueous medium, pH 4.8) for the first time. Cyclic voltammetry (CV), Electrochemical impedance spectroscopy (EIS), and scanning electron microscopy (SEM) were used for the investigation of surface morphology and electrochemical characteristics. The effect of the amount of SC, supporting electrolyte, and pH was optimized. Under optimum conditions, the developed sensor exhibited a linear response between 0.223 and 20.0 μM. The detection of the limit was found to be 0.069 μM. The sensor was successfully applied to quantify BICA in biological and pharmaceutical samples. Finally, cyclic voltammetry (CV) and differential pulse voltammetry (DPV) provided new insight into the interaction between BICA and ds‐DNA. The kinetic parameters for the free DNA, diffusion coefficient (D), heterogeneous rate constant (ks), and electrode surface concentration (Γ) were calculated to be 4.22×10−5 cm2 s−1, 0.57 s−1 and 7.67×10−9 mol cm−2, respectively. The (ds‐DNA)‐BICA complex parameters were 4.56×10−6 cm2 s−1, 0.70 s−1, and 1.61×10−9 mol cm−2. In addition, binding constant (K) and Gibbs free energy change (ΔG°) were 6.02×105 M−1 and −32.97 kJ mol−1, respectively.
Insight into sulfapyridine degradation mechanism and antibacterial activity change using enhanced hydrolysis
Authors: Yao Pengcheng , Wu Hui , You Aiju , Yu Genting 
Published: February 2024

AbstractAntibiotics in wastewater may inhibit the operation of biological treatment systems. Sulfapyridine (SPY) not only has antibacterial activity, but also chelates with other substances, and its antibacterial activity becomes stronger. An enhanced hydrolysis was applied to remove antibiotics as a promising pretreatment. An increase of 10°C accelerated the SPY hydrolysis rate by 1.98–2.40 fold, and the hydrolysis half‐life of SPY was shortened by 2.92 fold when pH was increased from 3 to 11 at 85°C. Herein, the contribution of hydrolysis to the SPY degradation increased as temperature, and the cleavage of bond is mainly way of SPY hydrolysis. The trend in the TP1 concentration indicate that NC cleavage may occur at the beginning of the reaction. According to result, the contribution of SPY to antibacterial activity decreased as the reaction progressed. The hydrolysis half‐life of SPY was shortened by condition optimization under normal pressure. The optimal conditions are pH = 10.8 and 60°C through response surface methodology (RSM) and EEO value with SPY concentration, antibacterial activity removal efficiency and low energy consumption as targets. Enhanced hydrolysis broken chemical bonds through hydrolysis and oxidation, shortening the hydrolysis half‐life of SPY at high temperature and alkaline. The energy consumption of SPY hydrolysis was calculated for the first time. Under the conditions of pH = 11 and 65°C, the energy consumption of per unit concentration SPY degradation was minimal. The results of this study demonstrated that enhanced hydrolysis is effective and energy conservation as a pretreatment technology for antibiotic.