bluuebunny/crossref_metadata_2025 huggingface dataset:
Microwave‐Assisted Conversion of 5‐Hydroxymethylfurfural into 2,5‐Furandicarboxylic Acid over CuCo Oxide
Authors: Prasad Shivshankar , Kumar Ajay , Dutta Suman , Ahmad Ejaz
Published: October 2024

A series of CuCo bimetallic catalysts were prepared via the co‐precipitation method for the catalytic transformation of biomass‐derived 5‐hydroxymethylfurfural (HMF) into 2,5‐furandicarboxylic acid (FDCA). FDCA acts as a precursor for biodegradable biopolymer polyethylene furanoate production, thereby achieving a carbon‐neutral approach. Out of all the synthesized catalysts, CuCo(1 : 1) showed remarkable catalytic activity and yielded 70.67 % FDCA while achieving 100 % HMF conversion in 5 minutes at 50 °C temperature in the presence of tert‐butyl hydroperoxide as an oxidant. Synergistic effects of the catalyst, such as adsorbed oxygen, relative oxygen vacancy, lesser pore size, and pore volume, were key factors attributed to the catalyst's excellent activity. The synthesized catalyst showed good recyclability with a minimal decrease in FDCA yield up to 5 cycles. Pre and post‐characterization of catalysts such as BET, TEM, FE‐SEM, XRD, H2‐TPR, CO2 TPD, ICP‐OES, and XPS were done to correlate the catalyst's properties with its activity. In addition, the effect of reaction parameters such as stirring speed, temperature reaction time, catalyst weight, base, and oxidant were studied to achieve optimum reaction conditions. The reaction products were analyzed quantitatively and qualitatively using HPLC and HR‐MS.
Aromatic Ring‐Fused Amidine Based Allosteric Receptors Activated by Guest‐Induced π‐Conjugation Switching
Authors: Kataoka Takayuki , Matsumura Kotaro , Ono Kosuke , Tsuchido Yoshitaka , Kawai Hidetoshi
Published: October 2024

Amidine‐substituted allosteric receptors 2 a and 2 b for benzenediols were synthesized. Receptor 2 a with five‐membered amidines exhibited greater allostericity than the amide‐substituted receptor 1, while 2 b with six‐membered amidines exhibited less allostericity. NMR titration experiments revealed that a significant enthalpic factor was involved in the allostericity of these receptors. X‐ray and DFT optimized structures of 2 a and 2 b revealed that 2 a adopted a coplanar conformation with π‐conjugation between the amidines and the phenylene ring of the hydrindacene framework, resulting in high allostericity due to inactivation of the initial binding.
A critical analysis of the integration of life cycle methods and quantitative methods for sustainability assessment
Authors: Cerchione Roberto , Morelli Mariarosaria , Passaro Renato , Quinto Ivana
Published: October 2024

The utilization of Life Cycle Assessment (LCA) and its corresponding methodologies gained considerable attention within the realm of corporate social responsibility (CSR) and sustainability assessment. Nevertheless, a lack of extensive investigation on their integration along with quantitative procedures, for example, statistical techniques and artificial intelligence (AI), has emerged. The purpose of this literature review is to investigate the extent to which these methodologies have been connected so far in order to achieve objectives concerning the assessment of sustainability. The scope of the study was restricted to articles published in peer‐reviewed journals throughout the period from 1960 to 2022. The investigation was conducted by using a broad set of keywords, encompassing both life cycle methods, including Life Cycle Assessment, Environmental Life Cycle Costing and Emergy Accounting, and quantitative methods, such as mathematical methods, economic methods and building information modeling methods. A total of 144 articles addressing the combined use of life cycle methods and quantitative methodologies for the evaluation of sustainability were identified in the literature review. The greater part of these studies relied on the combined use of LCA with mathematical models, statistical methods and AI methods. As a result, the studies proven that the joint application of such methods can improve consistency of sustainability assessment and enhance CSR. Additionally, many articles suggested novel approaches, including a combined use of LCA and building information modeling as well as simulation methods. The combined use of life cycle methods alongside quantitative methods offers promise in enhancing sustainability assessment by offering more precise and consistent outcomes. However, it becomes imperative to carefully evaluate the hypotheses, accuracy of data, and uncertainty associated with each method within the integration process. Additional research needs to be conducted in order to establish standardized protocols for combining these methodologies as well as to identify the most suitable procedures for their integration with respect to specific objectives concerning sustainability assessment.
Human capital efficiency, corporate sustainability, and performance: Evidence from emerging economies
Authors: Al frijat Yaser Saleh , Elamer Ahmed A.
Published: October 2024

This study examines how corporate sustainability (CS) influences the relationship between human capital (HC) effectiveness and corporate performance (CP) in the context of emerging economies. Drawing on HC theories and CS, we employ partial least squares structural equation modeling (PLS‐SEM) to analyze data from 94 industrial and service firms listed on the Amman Stock Exchange (ASE) between June and October 2022. Our findings reveal the dual role of HC, which not only directly influences CP but also significantly reinforces CS efforts. This research contributes to strategic management literature by highlighting the mediating role of CS in the HC‐performance nexus. The results underscore the strategic value of HC in enhancing sustainable practices, which positively affect CP. These insights are particularly relevant for emerging economies, where understanding the role of HC can guide corporate strategies toward sustainable growth. Theoretical and practical implications are discussed, with a focus on the importance of HC development to promote resilience and support sustainability goals in emerging markets. Future research could explore these dynamics across other industries and regions.
Molten‐Salt‐Mediated Chemical Looping Oxidative Dehydrogenation of Ethane with In‐Situ Carbon Capture and Utilization
Authors: Vogt‐Lowell Kyle , Chacko Dennis , Yang Kunran , Carsten Jace , Liu Junchen , Housley Matthew , Li Fanxing
Published: October 2024

The molten‐salt‐mediated oxidative dehydrogenation (MM‐ODH) of ethane (C2H6) via a chemical looping scheme represents an effective carbon capture and utilization (CCU) method for the valorization of ethane‐rich shale gas and concurrent mitigation of carbon dioxide (CO2) emissions. Here, stepwise experimentation with Li2CO3‐Na2CO3‐K2CO3 (LNK) ternary salts (i) assessed how each component of the LNK mixture impacted ethane MM‐ODH performance and (ii) explored physicochemical and thermodynamic mechanisms behind melt‐induced changes to ethylene (C2H4) and carbon monoxide (CO) yields. Of fifteen screened LNK compositions, nine exhibited ethylene yields greater than 50 % at 800 °C while maintaining C2H4 selectivities of 85 % or higher. LNK salts rich in Li2CO3 content yielded more ethylene and CO on average than their counterparts, and net CO2 capture per cycle reached a maximum of ~75 %. Extended MM‐ODH cycling also demonstrated long‐term stability of a high‐performing LNK medium. Density functional theory (DFT) calculations and ab initio molecular dynamics (AIMD) simulations suggested that the molten salt does not directly activate C2H6. Meanwhile, an empirical model informed by experimental data and reaction thermodynamics adequately predicted overall MM‐ODH performance from LNK composition and provided insights into the system′s primary drivers.
Coordination Tuning of FeNi‐HMT Frameworks Derived Effective Hybrid Catalysts for Water Oxidation
Authors: Wang Yunmeng , Fu Luhong , Wu Jiawei , Yang Fulin , Feng Ligang
Published: October 2024

FeNi‐based hybrid materials are promising oxygen evolution reaction (OER) catalysts for water electrolysis in hydrogen generation. In this work, the coordination tuning of FeNi‐HMT frameworks was achieved by simply changing the Fe/Ni ratios using hexamethylenetetramine (HMT) as an organic ligand, and the derived hybrid FeNi catalysts with varied compositions were probed for OER. Incorporating varying amounts of Fe3+ by adjusting the Ni/Fe ratio results in different metal‐organic framework (MOF) structures, and higher Fe feed leads to the formation of amorphous structures due to the coordination structure destruction from the weaker coordination capacity of Fe3+ compared to Ni2+ combining with the tertiary amine ligand. Among them, the FeNi‐HMT (with the Fe/Ni molar ratio of 1/1) derived catalyst, consisting of Fe0.36Ni0.64 alloy/Ni0.4Fe2.6O4 spinel oxide heterostructures supported by graphitized carbon matrix, exhibits the highest OER performance. The unique structure facilitates significant electron transfer at the alloy/spinel interface due to the large work function difference between each phase. This strong electronic effect downshifts the d‐band center of the catalyst and optimizes the binding energies to the crucial oxygenated intermediates, thereby promoting the OER kinetics. This work highlights the importance of the coordination tuning of FeNi‐HMT frameworks for highly efficient catalyst development.
Semitransparent Cu2O Films Based on CuO Back Layer for Photoelectrochemical Water Splitting and Photovoltaic Applications
Authors: Wu Linxiao , Cheng Jinshui , Luo Jingshan
Published: October 2024

Cuprous oxide (Cu2O) as an intrinsic p‐type semiconductor is promising for solar energy conversion. The major challenge in fabricating Cu2O lies in achieving both high transparency and high performance in a tandem device. The Cu2O photocathodes often employ gold as the back contact layer. However, it is not an optimal choice in tandem device due to its poor transmission, scarcity, and electron‐hole recombination at the interface of Au and Cu2O. Here, we presented a facile method that utilizes the earth‐abundant material copper oxide (CuO) to fabricate highly transparent Cu2O devices. The maximum transmittance of the Cu2O film on CuO (FTO/CuO/Cu2O) increased from 42 % to 58 % compared with Cu2O film on Au (FTO/Au (3 nm)/Cu2O) in 550–800 nm. After coating atomic layer deposition (ALD) layers and hydrogen evolution reaction (HER) catalyst, the photocurrent density at 0 V (versus RHE) of the semitransparent Cu2O photocathode with CuO as the back layer for photoelectrochemical (PEC) water splitting reached −4.9 mA cm−2, which showed a 24.5 % improvement compared with FTO/Au/Cu2O photocathode. Moreover, expanding the CuO layer strategy to the field of solar cells enables Cu2O solar cells to achieve a PCE of 2.37 %.
Why aren't we teaching this? Smart local energy systems and the young person's perspective
Authors: Ingram Charlie , Halford Alison , Jonah Sokipriala
Published: October 2024

With the UK government's target of Net Zero by 2050, alongside the rising cost of energy in the UK, it is imperative that public opinion aligns with and promotes affordable, greener energy systems. Within this dialogue, young people's voices and lived experience are needed to deepen the impact of energy policy intervention strategies. This article stresses the importance of a formal curriculum that informs future generations on the subjects of Smart Local Energy Systems (SLES), and the digitalisation advances of energy systems. This paper explores the development of a toolkit to educate and engage young people in these subjects and reviews young people's attitudes and understanding from three schools in England, UK. We find through an interpretive qualitative analysis of both images drawn by the young people, and insights gathered from focus groups, that (i) for these young people, SLES are a useful innovation regarding energy management and distribution, (ii) young people recognise that the education system as it currently stands is not aware of, or informed by smart energy technologies and (iii) that despite being a generation that is the most integrated with personal assistance technology, these young people have significant concerns over the reliability and safety of AI in SLES. These findings are set alongside calls for widespread education in key stages 4 and 5 (ages 14–18) around the subject of SLES, and their benefits to wider society, thereby enabling a future that empowers young people to make change, encourage engineering and computer science‐based career options and secure a fairer, cleaner, sustainable energy transition in the future.
The influence of climate change on the potential distribution of Ageratum conyzoides in China
Authors: Wang Yuan , Yang Yonggang , Zhang Minggang
Published: October 2024

Ageratum conyzoides L., an invasive plant originating from South America, is characterized by rapid growth and strong ecological adaptability, posing a threat to China's ecosystems, agricultural industry, and biodiversity. In this study, we optimized the MaxEnt model using the ENMeval package and constructed an ensemble model using the Biomod2 package based on global geospatial distribution data of A. conyzoides and considering climate, soil, and topography factors. We simulated the potential suitable distribution of A. conyzoides in China at present and in the future (2041–2060, 2061–2080). Through multivariate environment similarity surface and most dissimilar variable analysis, we identified the main environmental variables influencing the distribution of A. conyzoides. Additionally, niche analysis elucidated temporal and spatial variations in A. conyzoides' climate niche. Our results demonstrate that the ensemble model, constructed from the top seven single models, outperforms the individual models in predicting the suitable habitat of A. conyzoides. The ensemble model achieved the true skill statistic (TSS) of 0.833 and the area under the subject curve (AUC) of 0.971, indicative of outstanding predictive performance. Presently, the suitable habitat of A. conyzoides in China primarily exists in the region between 18° and 28° N, covering approximately 1.47 million km2. The temperature annual range, precipitation of the wettest month, and mean temperature of the coldest quarter were identified as the primary environmental variables influencing its distribution, while soil and elevation variables had minor roles. Under future climate conditions, the suitable habitat of A. conyzoides is expected to expand northeastward, with the centroid of its habitat shifting northward as the climate warms. The migration speed of A. conyzoides is projected to increase with the degree of warming. Furthermore, the climate niche of A. conyzoides will undergo certain changes and may face both niche expansion and a decrease in niche overlap under different climate conditions.
Understory plant biodiversity is inversely related to carbon storage in a high carbon ecosystem
Authors: Carter Trevor A. , Buma Brian
Published: October 2024

Given that terrestrial ecosystems globally are facing the loss of biodiversity from land use conversion, invasive species, and climate change, effective management requires a better understanding of the drivers and correlates of biodiversity. Increasingly, biodiversity is co‐managed with aboveground carbon storage because high biodiversity in animal species is observed to correlate with high aboveground carbon storage. Most previous investigations into the relationship of biodiversity and carbon co‐management do not focus on the biodiversity of the species rich plant kingdom, which may have tradeoffs with carbon storage. To examine the relationships of plant species richness with aboveground tree biomass carbon storage, we used a series of generalized linear models with understory plant species richness and diversity data from the USDA Forest Service Forest Inventory and Analysis dataset and high‐resolution modeled carbon maps for the Tongass National Forest. Functional trait data from the TRY database was used to understand the potential mechanisms that drive the response of understory plants. Understory species richness and community weighted mean leaf dry matter content decreased along an increasing gradient of tree biomass carbon storage, but understory diversity, community weighted mean specific leaf area, and plant height at maturity did not. Leaf dry matter content had little variance at the community level. The decline of understory plant species richness but not diversity to increases in aboveground biomass carbon storage suggests that rare species are excluded in aboveground biomass carbon dense areas. These decreases in understory species richness reflect a tradeoff between the understory plant community and aboveground carbon storage. The mechanisms that are associated with observed plant communities along a gradient of biomass carbon storage in this forest suggest that slower‐growing plant strategies are less effective in the presence of high biomass carbon dense trees in the overstory.
Occurrence of Fox Squirrels Influenced by Fine‐Scale Landscape Characteristics on a College Campus
Authors: Whitman Daniel A. , Werdel Ty J.
Published: October 2024

Urbanization and urban sprawl generally degrade and diminish wildlife habitat, threatening to extirpate local populations. However, certain synanthropic species (e.g., coyotes, white‐tailed deer, and squirrels) are able to persist in urban environments and may even occur at greater densities than they do in their natural habitats. Eastern fox squirrels (Sciurus niger) are large tree squirrels that are known to be present in greater densities within urban areas. To determine how landscape characteristics may affect fox squirrel presence, we conducted line‐transect surveys along sidewalks on the Texas A&M University—College Station campus to record presence of fox squirrels and nearest tree species. We calculated Jacobs’ index of selectivity (D) for use of trees by fox squirrels along the transects. Squirrel density was calculated for all transects and modeled using linear regression with environmental (e.g., tree density) and survey (e.g., transect distance) variables. Fox squirrels preferred only a small number of the available tree species, primarily Quercus and Ulmus species. Observed fox squirrel density significantly increased with time of day, temperature, density of oaks (Quercus spp.), and density of all trees, and decreased with distance and area of the transect. These results suggest that even when urban areas contain suitable habitat, use of urban environments by wildlife is still highly selective and dependent on specific habitat requirements.
Heat wave impacts on crop‐pest dynamics are dependent upon insect ontogeny and plant resistance
Authors: Acosta Nalleli Carvajal , Zehr Luke N. , Snook Joshua S. , Szendrei Zsofia , Kalwajtys Michael , Wetzel William C.
Published: October 2024

Heat waves, brief periods of unusually high temperatures, are damaging to agroecosystems and are increasing in frequency and intensity due to climate change. Despite growing appreciation for the threat that heat waves pose to agricultural sustainability, we have a poor understanding of what determines their impact on agroecological interactions in the field. Here, we report the results of a field experiment that examined how heat waves and their timing interact with crop pest resistance to influence the interactions between potato (Solanum tuberosum) and its most damaging pest, the Colorado potato beetle (CPB; Leptinotarsa decemlineata). We used open‐top chambers and ceramic heaters to generate heat wave conditions in field plots with pest‐resistant and pest‐susceptible potato varieties at four CPB developmental stages. We then assessed CPB performance, leaf herbivory, and tuber yield. The neonate‐stage heat wave reduced larval survival by 10%, but the surviving larvae were 18% larger and developed 15% faster. However, these effects occurred only on the susceptible variety; both larval survival and growth were unaffected by the heat wave in the pest‐resistant variety. Moreover, the neonate‐stage heat wave reduced adult survival by 15%, suggesting negative carry‐over effects of early‐life heat exposure. Heat wave events after the neonate stage had no effects on CPB performance, crop damage, or tuber yield. Our results indicate that timing and pest resistance in crops are essential for understanding the impacts of extreme heat events on crop‐pest dynamics. Agroecological pest management in an increasingly variable and extreme climate will likely benefit from the development of strategies that account for the seasonal timing of potential heat events and from the continued use of crop varieties bred for pest resistance, which our results suggest may dampen the impacts of extreme temperatures on crop‐pest interactions.
Exploratory modeling of social‐ecological systems
Authors: Eppinga Maarten B. , Reader Martin O. , Santos Maria J.
Published: October 2024

Navigating social‐ecological systems toward sustainable trajectories is an important challenge of the Anthropocene. Models of social‐ecological systems can increase our understanding of how social and ecological subsystems interact, their response to environmental changes, and how their dynamics may be altered by management interventions. However, the level of representational detail required for models to describe a particular social‐ecological system with high fidelity (i.e., accurately quantifying system dynamics) may hamper both the interpretability of model results and our ability to identify key processes and feedbacks within the system. In contrast, stylized models describe simplified interactions between a small subset of social‐ecological system elements. Stylized models are a useful tool to identify potential consequences of specific key processes and feedbacks on system functioning. However, the relatively low level of representational detail in these models limits their ability to deliver concrete management options for a particular social‐ecological system. Here, we describe how an exploratory modeling approach can utilize the strengths of stylized models before the construction of social‐ecological system models with high fidelity and representational detail. This exploratory modeling approach is an iterative strategy, with the initial steps comprising the development of stylized models informed by empirical observations. We illustrate this with two examples of stylized modeling of isolated and connected social‐ecological systems. Through repeated confrontation of alternative models with empirical data, exploratory modeling provides useful stepping stones toward the development of models that describe social‐ecological systems in increasingly specific settings with increasing levels of representational detail. When these latter types of models reach a high level of fidelity, they could be used for scenario‐based analyses and participatory decision‐making processes. At this stage, the conceptual insights previously obtained during the exploratory modeling phase may aid in the interpretation and communication of the outcomes of scenario‐based analyses. Hence, exploratory modeling aims to create a synergy between the insights obtained from stylized models and system‐specific, high‐fidelity models in order to generate a deep understanding of the drivers of social‐ecological system dynamics, and how to leverage these drivers to initiate desired changes.
Trends and Disparities in Coronary Artery Disease and Obesity‐Related Mortality in the United States From 1999–2022
Authors: Ahmed Mushood , Javaid Hira , Shafiq Aimen , Nadeem Zain Ali , Ahsan Areeba , Nofal Abdullah , Ahmed Raheel , Alam Mahboob , Fudim Marat , Fonarow Gregg C. , Mamas Mamas A.
Published: October 2024

Background

Almost half of the US adult population has obesity, which predisposes to atherosclerosis and can lead to poor prognosis in coronary artery disease (CAD). We aim to identify CAD and obesity‐related mortality trends among adults in the United States stratified by age, sex, race and geographical location.

Methods

The CDC‐WONDER database was used to extract death certificate data for adults aged ≥ 25 years. Crude mortality rates (CMR) and age‐adjusted mortality rates (AAMRs) per 100,000 persons were calculated, and temporal trends were described by calculating annual percent change (APC) and the average APC (AAPC) in the rates using Joinpoint regression analysis.

Results

From 1999 to 2022, a total of 273,761 CAD and obesity‐related deaths were recorded in the United States. The AAMR increased consistently from 1999 to 2018 (APC: 4.3, 95% confidence interval (CI): 3.4–4.9) and surged thereafter till 2022 (APC: 11.4; 95% CI: 7.7–19.1). During the COVID‐19 pandemic (2020–2022), AAMR almost doubled that of the rest of the study period. Additionally, the AAMR for males was nearly twice that of females. Non‐Hispanic (NH) Blacks or African Americans displayed the highest AAMR, followed by NH Whites, Hispanic or Latino, and other NH populations. AAMRs showed minimal variation by census regions. Rural areas exhibited a higher AAMR (AAMR: 5.9, 95% CI: 5.8–5.9) than urban areas (AAMR: 4.4, 95% CI: 4.4–4.5).

Conclusions

We observed increasing trends in CAD and obesity‐related deaths throughout the study period reaching a peak during the COVID‐19 pandemic.
Green path development: The agency of the City of Vaasa in establishing the battery industry
Authors: Okonkwo Ejike , Berg Petra , Rabetino Rodrigo
Published: October 2024

Empirical studies on agency in green path development (GPD) have underexplored non‐firm actors' roles. Through a semi‐structured interview, this article provides insight into how the City of Vaasa exercises agency toward developing the battery industry and the concomitant effects. The findings reveal that the City of Vaasa provides place‐based leadership, for example, through a local‐based initiative, that is, the GigaVaasa, as a platform to increase participation and coordinate the actions of public and private actors. As an institutional entrepreneur, they govern the issuance of operating licenses to optimize their economic interest; as innovative entrepreneur, they strategically plan and coordinate infrastructure development to increase the region's attractiveness to external investors and talents. The City of Vaasa agency increases the chances for the region to participate in the global battery market and stimulate the region's economic development. Nonetheless, environmental sustainability concerns remain a profound unintended effect. Conceptually, the article introduces the agency cyclicality and synchronization model to enhance the understanding of the interplay and effect of agency in an emerging green industry's development trajectory.
Increased calcification by erythrophagocytosis in aortic valvular interstitial cells
Authors: Qin Zihan , Bäck Magnus , Franco‐Cereceda Anders , Pawelzik Sven‐Christian
Published: October 2024

Background

Calcific aortic valve disease (CAVD) progresses over time to severe aortic stenosis and eventually heart failure. Recent evidence indicates that intraleaflet haemorrhage (ILH) strongly promotes CAVD progression. However, it remains poorly understood how it mechanistically contributes to valvular calcification.

Method

ILH was identified as iron deposition by morphological analysis. To elucidate the underlying mechanism, human valvular interstitial cells (VIC) were cultured in the presence of fresh or senescent red blood cells (RBC), simulating ILH in vivo conditions.

Result

ILH was common in aortic valves derived from patients with severe aortic stenosis. VIC undergo erythrophagocytosis of senescent RBC, leading to intracellular iron accumulation analogous to observed following exposure to extracellular iron. The presence of senescent RBC significantly intensified VIC calcification, which was significantly mitigated by ferroptosis inhibition.

Conclusions

Our results identify erythrophagocytosis by VIC, leading to iron accumulation and enhanced calcification through ferroptosis. This may be a crucial component of the pathophysiological mechanisms that links ILH to valvular calcification and accelerated aortic stenosis progression.
Considerations for drug trials in hypertrophic cardiomyopathy
Authors: Farrant John P. , Schmitt Matthias , Reid Anna B. , Garratt Clifford J. , Newman William G. , Malhotra Aneil , Beynon Rhys , Mahmod Masliza , Raman Betty , Cooper Robert M. , Dawson Dana , Green Thomas , Prasad Sanjay K. , Singh Anvesha , Dodd Susanna , Watkins Hugh , Neubauer Stefan , Miller Christopher A.
Published: October 2024

Hypertrophic cardiomyopathy (HCM) is a heterogeneous condition with potentially serious manifestations. Management has traditionally comprised therapies to palliate symptoms and implantable cardioverter‐defibrillators to prevent sudden cardiac death. The need for disease‐modifying therapies has been recognized for decades. More recently, an increasing number of novel and repurposed therapies hypothesized to target HCM disease pathways have been evaluated, culminating in the recent regulatory approval of mavacamten, a novel oral myosin inhibitor. HCM poses several unique challenges for clinical trials, which are important to recognize when designing trials and interpreting findings. This manuscript discusses the key considerations in the context of recent and ongoing randomized trials, including the roles of genotype, phenotype and symptom status in patient selection, the evidence base for clinical and mechanistic outcome measurements, trial duration and sample size.
Facile Approach for the Fabrication of Vapor Sensitive Spin Transition Composite Nanofibers
Authors: Tran Kevin , Sander Patrick , Seydi Kilic Maximilian , Brehme Jules , Sindelar Ralf , Renz Franz
Published: October 2024

In this work polymer nanofibers were functionalized by incorporation of the spin transition (ST) compound [Fe(H2btm)2(H2O)2]Cl2 (FeH2btm) (H2btm=di(1H‐tetrazol‐5‐yl)methane). FeH2btm is an interesting compound due to its ability to reversibly and sensitively switch between high spin (HS) and low spin (LS) state when exposed to common volatile compounds (VOC) like ammonia and methanol. By using polyvinylidene fluoride (PVDF) as the main compound, inhibiting interactions between the complex and polymer were minimized. By using UV‐Vis spectroscopy, the visible and reversible switching between HS and LS state when exposed to an ammonia or hydrochloric acid atmosphere was confirmed. Powder X‐Ray diffraction (PXRD), scanning electron microscopy (SEM) and energy dispersive X‐Ray spectroscopy (EDX) show a homogenous distribution of FeH2btm with no major crystalline accumulations and a mean fiber diameter of 106±20 nm. The composite fiber has a similarly high thermal stability as the pure FeH2btm, as shown by thermogravimetric analysis (TGA). Mössbauer spectroscopy indicates an incomplete spin transition after exposition to ammonia. This could be due to low permeability of the VOC into the composite fiber.
Chiral Electrochemical Sensing Platform Constructed by Chiral Chitosan Materials for Enhanced Electrochemical Chiral Analysis
Authors: Wang Jianrong , Wang Luhua , Zhao Hongfang , Li Hongxia , Niu Xiaohui , Wang Yi , Wang Kunjie
Published: October 2024

Polysaccharide materials have wide applications in the field of chiral recognition. Herein, a new series of chiral materials based on chiral polysaccharide were synthesized for electrochemical enantioselective recognition of tryptophan (Trp) enantiomers. Chiral recognition was investigated via differential pulse voltammetry (DPV). Among poly (L‐lactide) La/hydroxyapatite chitosan (PLLHC‐X) series materials (PLLHC‐0, PLLHC‐1, PLLHC‐3, PLLHC‐7 PLLHC‐9 and PLLHC‐5), PLLHC‐5 has the best recognition efficiency. And the results reveal that the PLLHC‐5 displays a stronger interaction with L‐Trp than to that of D‐Trp. The synergetic effect of chiral recognition from chitosan and signal amplification from poly (L‐lactide) (PLLA) offered an easy‐handling and effective electrochemical approach for isomers discrimination to realize the chiral recognition of Trp enantiomers. The synergetic effect results in highly efficiency and thus opens up new directions in the field of chiral materials.
Halogen‐free solvent processed organic solar sub‐modules (≈55 cm2) with 14.70% efficiency by controlling the morphology of alkyl chain engineered polymer donor
Authors: Gokulnath Thavamani , Kim Hyerin , Song Donghyun , Park Ho‐Yeol , Jee Je‐Sung , Kim Young Yong , Yoon Jinhwan , Kranthiraja Kakaraparthi , Jin Sung‐Ho
Published: October 2024

Goals of high efficiency, morphological analysis, and the ability to produce organic solar cell (OSC) sub‐modules using halogen‐free solvents are demanding. In this study, a robust conjugated polymer with thienothiophene π‐spacer with pendant alkyl side chain (NapBDT‐C12) was synthesized and used to fabricate sub‐modules. Excellent efficiencies were demonstrated by a NapBDT‐C12 integrated ternary blend, which was used to produce stable small‐area‐to‐sub‐module devices using O‐xylene. The efficiency of the NapBDT‐C12 added small‐area ternary devices (PM6:NapBDT‐C12:L8‐BO) was 18.71%. Owing to the controlled homogeneity of the blend with favorable nanoscale film morphology, enhanced carrier mobilities, and exciton dissociation/splitting properties, contributed to the efficiencies of small‐area‐to‐sub‐module OSCs. Moreover, a 55 cm2 sub‐module with an efficiency of 14.69% was accomplished by bar coating using O‐xylene under ambient conditions. This study displays the potential of a ternary blend based OSC device to produce high efficiency scalable sub‐modules at ambient conditions.

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Detecting the Impact of Remote Proctored At‐Home Testing Using Propensity Score Weighting
Authors: Miao Jing , Cao Yi , Walker Michael E.
Published: October 2024

Studies of test score comparability have been conducted at different stages in the history of testing to ensure that test results carry the same meaning regardless of test conditions. The expansion of at‐home testing via remote proctoring sparked another round of interest. This study uses data from three licensure tests to assess potential mode effects associated with the dual option of on‐site testing at test centers and at‐home testing via remote proctoring. We generated propensity score weights to balance the two self‐selected groups in order to detect the mode effect on the test outcomes. We also assessed the potential impact of omitted variables on the estimated mode effect. Results of the study indicate that the demographic compositions of the test takers are similar before and after the introduction of the RP option. Examinees under the two testing modes differ slightly on certain background variables. Once the group differences are adjusted by propensity score weighting, the estimated mode effects are small and nonsystematic across test titles overall. We note some variations across subgroups based on gender and race.
Insights Into Critical Discussion: Designing a Computer‐Supported Collaborative Space for Middle Schoolers
Authors: Song Yi , Ferretti Ralph P. , Sabatini John , Cui Wenju
Published: October 2024

Collaborative learning environments that support students' problem solving have been shown to promote better decision‐making, greater academic achievement, and more reasonable argumentation about controversial issues. In this research, we developed a technology‐based critical discussion platform to support middle school students' argumentation, with a focus on evidence‐based reasoning and perspective taking. A feasibility study was conducted to examine the patterns of group interaction and individual students' contributions to the critical discussion and their perceptions of the critical discussion activity. We found that more students used text‐based communications than audio, but students who used audio collaborated with each other more frequently. In addition, student engagement in argumentative discourse varied greatly across groups as well as individuals. At the end of the discussion, most groups provided a solution that integrated both sides of the controversial issue. Survey and interview results suggest an overall positive experience with this technology‐supported critical discussion activity. Using the insights from our research, we develop a conceptual dialogue analysis framework that identifies relevant skills under the argumentation and collaboration dimensions. In this report, we discuss our design considerations, feasibility study results, and implications of engaging students in computer‐supported collaborative argumentation.
Defining a maximum heat release rate probability distribution function for design fires in sprinkler‐protected residential buildings
Authors: Hopkin Charlie
Published: October 2024

In fire safety engineering analysis of sprinkler‐protected residential buildings, the maximum heat release rate is a key parameter requiring consideration. Several documents provide advice for estimating the heat release rate of a sprinkler‐controlled fire, with a prevailing suggestion that it is fixed upon activation of the first sprinkler. When carrying out deterministic analysis, this requires the engineer to assume fixed fire parameters and consider that sprinklers limit fire growth. To explore these assumptions, the study uses three deterministic models to estimate a sprinkler‐controlled maximum heat release rate for a representative apartment layout. The models include Alpert's correlation, a B‐RISK zone model and a computational fluid dynamics model in the Fire Dynamics Simulator. These deterministic models are compared to a probabilistic model in B‐RISK, where Monte Carlo simulations are used to generate a range of maximum heat release rates from distribution functions for fire and sprinkler properties. An output distribution function is generated with a mean of 296.6 kW and a standard deviation of 503.8 kW, with a lognormal distribution (μ = 5.014, σ = 1.165) estimated as a best‐fit. The deterministic models are estimated to sit in the 92–98 percentile range of this function, indicating that common deterministic assumptions are reasonably conservative. The article concludes with suggesting that, for deterministic analysis, a percentile between the 80th and 99th (340–2640 kW) could be qualitatively selected based on the design objectives, building situation and relative consequence of a fire. Further research is needed to establish guidelines for selecting appropriate percentiles across various building scenarios.
Total Synthesis of Tagitinins, Goyazensolide and Related Furanoheliangolides and their Covalent Interaction with Importin‐5 (IPO5)
Authors: Liu Weilong , Patouret Rémi , Peev Elsa , Barluenga Sofia , Winssinger Nicolas
Published: October 2024

Herein, we detail an extension of our research on the synthesis of a small library of furanoheliangolides and the characterization of the covalent interaction between goyazensolide and IPO5. Using a build‐couple‐pair strategy, we assembled a small library of germacrene‐type lactones and diversified them into eight groups of structurally different analogues. The germacrene lactones were synthesized using Sonogashira coupling and Barbier‐type macrocyclization, while the furanoheliangolides were further elaborated through gold‐catalyzed transannulation followed by esterification. This synthetic approach enabled the generation of a goyazensolide alkyne‐tagged cellular probe, which was used to identify the selective binding between goyazensolide and the oncoprotein importin‐5 (IPO5). Mass spectrometry analysis of the proteolytic digest from the reaction between the goyazensolide probe and a recombinant IPO5 indicated a covalent engagement at Cys560 of IPO5, which was confirmed by site‐directed mutagenesis.
Enhancing Groundwater Recharge Prediction: A Feature Selection‐Based Deep Forest Model With Bayesian Optimisation
Authors: Liu Bao , Sun Yaohua , Gao Lei
Published: October 2024

Accurate prediction of groundwater recharge is crucial for the sustainable management of water resources. Existing models, while effective, still have potential for improved accuracy. This study proposed a novel deep forest model—the Feature Selection‐based Deep Forest model (FSDF)—for enhanced groundwater recharge prediction. This model consists of three key essential components: a feature selection layer, a cascade enhancement layer and a decision output layer, all designed to enhance the prediction accuracy of groundwater recharge rates. The feature selection layer effectively filtered out redundant features, ensuring that only relevant features are fed into the subsequent cascade enhancement layer. The cascaded enhancement layer was jointly constructed by random forests and completely random forests, processing the data layer‐by‐layer. Finally, the predictions of groundwater recharge rates were produced through an averaging strategy in the decision output layer. To further enhance the FSDF model's predictive capabilities, Bayesian optimization was applied for fine‐tuning model hyperparameters. The model's performance was evaluated and compared with existing models using a dataset comprising of groundwater recharge rates from 1549 wells in New South Wales, Australia. The FSDF model exhibited exceptional performance, achieving a training accuracy of 95.91% and a testing accuracy of 89.65%. It outperformed the adaptive boosting, categorical boosting, extreme gradient boosting, multiple linear regression and random forests by 2.02%, 6.98%, 9.05%, 17.02% and 2.74% in prediction performance, respectively. This study contributes to both hydrological processes and groundwater management by identifying key factors such as rainfall, surface geology and PET, and refining hydrological models for greater predictive accuracy. The FSDF model offers a powerful tool for accurately forecasting groundwater recharge, outperforming traditional models. The model's adaptability makes it applicable to different geographical regions for managing water resources in the face of challenges such as water scarcity and climate change.
Comprehensive, Multi‐Scale Evaluation of Field Methods for Assessing Stream–Aquifer Interactions Along Channelised Lowland Streams
Authors: Ledesma Benjamin , Villalpando‐Vizcaino Rodrigo , Larsen Daniel , Schoefernacker Scott , Waldron Brian , Meier Claudio
Published: October 2024

Stream–aquifer interactions (SAIs) play a critical role in effective groundwater management, yet their complex dynamics remain poorly understood in channelized lowland perennial streams. This study presents a multi‐scale, multi‐technique investigation of SAIs along two long‐stream reaches in Tennessee, United States. The goal is to define a suitable methodology for characterising SAIs in this specific hydrological setting, serving as a starting point for developing a more standardised and replicable approach. The methodology includes an initial evaluation of various field techniques, followed by extensive surveys using potentiomanometers, electromagnetic induction (EMI), vertical temperature profilers (VTPs) and complementary methods such as seepage meters, bank tests and well‐data analyses. Results reveal distinct hydrogeomorphic behaviours across and along the streams, challenging the SAI‐homogeneity notions typically assumed in groundwater models. Nonconnah Creek exhibited streambed colmation and negligible hydraulic gradients, resulting in disconnection from the aquifer during low flows, except for a 300‐m losing reach with high downward gradients. In contrast, the Loosahatchie River displayed relatively homogeneous streambed properties and small, upward hydraulic gradients, suggesting uniform SAIs along the surveyed reaches. EMI proved highly effective for mapping streambed sediments quickly, while potentiomanometers accurately measured small head differences critical for understanding SAI dynamics. VTPs were less practical due to the extended data‐collection times required and their vulnerability to flooding. This study emphasises the importance of multi‐scale investigations using diverse techniques to accurately characterise SAIs in lowland streams, highlighting the confounding influences of geological formations, anthropogenic alterations and depositional processes on groundwater–surface water interactions. The findings contribute to refining local water balances, informing groundwater management strategies and underscoring the need for incorporating local‐scale field data into regional groundwater models. The proposed methodology serves as a foundation for developing a standardised approach for characterising SAIs in lowland channelized perennial streams, adaptable for similar stream systems worldwide.
Modelling the Contributions of Riparian Vegetation and Topography to Stream Shade Using LiDAR and Conventional Digital Elevation Data
Authors: Browning B. L. , Moore R. D.
Published: October 2024

Stream temperature is widely considered the master variable in stream ecosystems. One of the key drivers of diel and seasonal stream temperature variability is the solar radiation received at the stream surface, which can be influenced by shading associated with both larger scale topographic features and riparian vegetation. In this study, a stream shade model was developed that uses LiDAR point cloud data to model shading by riparian vegetation, including canopy overhang, and conventional elevation data to model stream shading by topography. The model was applied to a dominantly north–south oriented river flowing in a floodplain within a mountain valley. When compared with shade interpreted from PlanetScope visual imagery, the model predicted stream shade at the point scale with 92% agreement. Sources of error were attributed to pixel and azimuth band size, which can be refined within the model arguments, although at the cost of increased processing time. The shade model was re‐run after virtually rotating the reach by 90° and 270° clockwise to evaluate the effect of valley orientation. Peak reach‐wide sunlight exposure occurred approximately 2 h later in the day when the stream reach was rotated 90°, and produced greater shading from mid‐morning to mid‐afternoon. Further work should test the model on smaller streams using ground‐based oblique or drone‐based photography to provide ground‐truthing, particularly to assess the accuracy of predicted shade below over‐hanging vegetation.