bluuebunny/crossref_metadata_2025_split huggingface dataset:
Upper gastrointestinal bleeding from primary aortoesophageal fistula in a patient with aneurism of the thoracoabdominal aorta: Case report and literature review
Authors: Ristovska Elena Curakova , Krstevski Gregor , Andov Misel , Kolev Aleksandar , Bundovski Kristijan , Rusiti Kemal , Antovic Svetozar , Rankovic Ivan , Kocev Smiljana Bundovska , Alcinova Natasa Hadzi‐Nikolova , Bogut Ante 
Published: August 2024

Key Clinical MessageUpper gastrointestinal bleeding due to primary aortoesophageal fistula is a rare clinical condition burdened with high mortality rate. However, the outcomes are closely related to the level of clinical awareness, the complementary and multidisciplinary approach during the diagnostic workup, and the selected treatment option.AbstractWe present an atypical case of an aneurysm of the thoracoabdominal aorta complicated with primary aortoesophageal fistula (AEF). A 55‐year‐old male with no previous diseases, presented with prolonged and intense back pain and upper gastrointestinal bleeding. The gastroscopy detected an unusual culprit lesion in the distal esophagus resembling an esophageal wall defect, and the computed tomography revealed an aneurysm of the thoracoabdominal aorta, remarkable surrounding hematoma, and active contrast extravasation. Despite the urgent surgical repair, a lethal outcome occurred. AEF patients require high clinical awareness and complementary multidisciplinary approach in order to provide a rapid diagnosis and optimal treatment.
Models for Single‐Site Heterogeneous Catalysts on Carbon: MoO2 Epoxidation Catalyst Anchored to a Fullerene
Authors: Agarwal Amol , Liu Yiqi , Kraevaya Olga A. , Alayoglu Selim , Kratish Yosi , Marks Tobin J. 
Published: August 2024

AbstractSingle‐site molybdenum dioxo catalysts, fullerenol/MoO2, are prepared via grafting precursor (DME)MoO2Cl2 onto a highly polyhydroxylated fullerene (ful) and an isomerically‐pure and well‐defined fullerene (ful*). These catalyst structures are characterized by ICP‐OES, XPS, XANES, EXAFS, DRIFT, Raman, and NMR spectroscopy, and DFT. Mo 3d5/2 XPS and Mo K‐edge XANES assign the oxidation state as Mo(VI). Mo EXAFS data fitting reveals two Mo=O double and two Mo−O single bonds at distances of 1.7 and 1.9 Å, respectively, while an Mo=O stretchingl mode is observed at ~950 cm−1 by DRIFT and Raman spectroscopy. These data align well with DFT computational results, supporting the proposed catalyst structure as Fullerene(‐μ‐O‐)2M(=O)2. Additionally, DFT provides insight into the energetically favorable grafting sites for an isomerically pure fullerenol. The scope of fullerenol/MoO2 mediated alkene epoxidation includes abiotic alkenes, natural occurring terpenes, and conjugated olefins. For cyclooctene the rate law is first‐order in [Mo], near first order in [olefin] and zero‐order in [t‐butyl hydroperoxide]. A plausible reaction mechanism involves peroxide addition first and then cyclooctene addition directly across the peroxo bond forming the epoxide product, consistent with DFT computation. Overall, fullerenol/MoO2 shows promise as a sustainable and structurally well‐defined system with versatile catalytic activity and good epoxidation recyclability.
Quantum Information Patterns Between Atoms in a Molecule
Authors: Van Hende Daria , Van der Stichelen Ruben , Bultinck Patrick , Acke Guillaume 
Published: August 2024

AbstractQuantum information theory provides a powerful toolbox of descriptors that characterize many‐electron systems based on quantum information patterns between open quantum systems. Despite the wealth of insights gained in the condensed matter community, the use of these descriptors to study interactions between atoms in a molecule remains limited. In this study, we develop a quantum information framework for molecules that characterizes the quantum information patterns between quantum atoms as defined in the Quantum Theory of Atoms in Molecules. We show that quantum information analyses capture key properties of quantum atoms and how they interact with their molecular environment. Additionally, we show that the presence of bond critical points can remain invariant despite large changes in the quantum information patterns between the quantum atoms. Our findings indicate that quantum information theory can shed a new light on molecular electronic structure.
Stabilization Strategies of Lithium Metal Anode Toward Dendrite‐Free Lithium‐Sulfur Batteries
Authors: Liu Zhiyuan , Sun Luyang , Liu Xianyu , Lu Qiongqiong 
Published: August 2024

AbstractLithium‐sulfur (Li−S) batteries are considered as a most promising rechargeable lithium metal batteries because of their high energy density and low cost. However, the Li−S batteries mainly suffer the capacity decay issue caused by the shutting effect of lithium polysulfides and the safety issues arising from the Li dendrites formation. This review outlines the current issues of Li−S batteries. Furthermore, we comprehensively summarized the challenges encountered by Li anode in Li−S batteries, such as the heterogeneous deposition of the Li anode, the unstable solid electrolyte interface (SEI) layer, and volume expansion. Moreover, research progresses in the stabilization strategies of Li anodes (physical approaches, optimization of electrolyte, surface protection layer, and design of current collector) is discussed in detail. Lastly, the remaining challenges and future research directions of Li metal anode stabilization in Li−S batteries are also present.
Rh(I)/Sulfoxide‐Imine‐Olefin Complex Catalyzed Enantioselective Allylic Alkylation of 2‐Fluoromalonate: Synthesis of Chiral α‐Fluorolactone Bearing Vicinal Stereogenic Centers
Authors: Jiang Haibin , Zhao Wen‐Wen , Wang Xiaolin , Zhang Hongbo , Zheng Sheng‐Cai , Zhao Xiaoming 
Published: August 2024

AbstractHighly enantioselective Rh‐catalyzed allylic substitution of the racemic branched allylic substrates with 2‐fluoromalonate was realized enabled by a novel chiral sulfoxide‐imine‐olefin ligand under mild reaction conditions. The utilization of CuSO4 is beneficial for improving the enantioselectivity. Notably, the chiral fluoro‐containing allyl products can be employed in a selective cyclic esterification to form chiral α‐fluorolactone bearing vicinal stereogenic centers.
Structure Elucidation of Pharmaceutically Relevant Compounds Within Pyrene‐Based Frameworks
Authors: Chaudhry Mohammad T. , Newman Justin A. , Lee Alfred Y. , Patel Anisha 
Published: August 2024

AbstractSingle‐crystal X‐ray diffraction (SCXRD) is the preferred and most accurate technique for determining molecular structures. However, it can present challenges when dealing with specific small molecules and active pharmaceutical ingredients (APIs), as many do not form quality crystals without coformers or can be unstable. In this study, we introduce tetrakis(guanidinium) pyrenetetrasulfonate (G4PYR), a robust guanidinium‐organosulfonate (GS) framework that efficiently encapsulates small molecules and APIs rich in functional groups. The hydrogen bonding frameworks formed by G4PYR display well‐ordered structures with predictable pyrene‐pyrene distances, making them ideally suited for targeting arene‐based APIs with pendant groups. Successful encapsulation of various guests, including benzaldehyde, benzamide, and arenes containing multiple hydrogen bond donors and acceptors like uracil and thymine, was achieved. Furthermore, we successfully encapsulated important pharmaceutical and biologically relevant compounds, such as lidocaine, ropinirole, adenosine, thymidine, and others. Notably, we present a workflow for investigating host‐guest complex formation using powder X‐ray diffraction and high throughput experimentation.
Integrating process safety management into Canadian wood pellet facilities that generate combustible wood dust
Authors: Rayner Brown Kayleigh , Laturnus Bill , Murray Gordon , Yazdanpanah Fahimeh , Cloney Chris , Amyotte Paul 
Published: August 2024

AbstractWood pellets, which are manufactured from sawmill and forest residues, are sold in bulk for biomass power generation or in bags for residential heating. Wood pellet production involves combustible dust, which presents the risk of fires and explosions. Process safety management (PSM) is a framework for preventing and mitigating process‐related incidents. While PSM has historically been integrated within the chemical process industries, there is a need to systematically manage process‐related hazards in other sectors, including wood pellet and wood product manufacturing. However, there is a need to identify an approach to PSM implementation that is reasonable and achievable based on the relative complexity of the production process, as well as onsite resources. The scope of this project was to develop an integration tool for wood pellet production to serve as the foundation for a long‐term strategy and implementation plan led by industry. This research resulted in a PSM integration tool consisting of a PSM survey for gap analysis, self‐assessment worksheets that include numerous PSM best practices, factsheets, and an implementation strategy. Using the CSA Z767 Process Safety Management standard as the basis, the research included the development of a phased approach to integrating PSM elements to help improve feasibility. The selection of PSM element phases was informed by surveys of operations and subject matter experts. This research recognizes that, while PSM is currently mostly voluntary in Canada, some organizations have adopted the CSA Z767 standard into regulations and proactively implementing a PSM framework will position companies well should regulations change.
Perspectives on 40‐year careers—University of Calgary Chemical & Petroleum Engineering graduating class of 1983
Authors: Wichert Robert E. , Mehrotra Anil K. , Patience Gregory S. 
Published: August 2024

AbstractOnly a few of the students who graduated from Chemical & Petroleum Engineering at the University of Calgary found jobs in 1983 because of a severe recession and the National Energy Program artifically deflating the oil price. Despite the slow start to their careers, the graduates have made substantial contributions to industry, government agencies, and academia. They worked on over 60 projects in more than 40 countries, many of which were valued in the billions of dollars (excluding projects in Canada). Because of the volatility in the petroleum industry, the graduates often moved from one company to another: 6 individuals worked for 10 or more companies, while only 2 spent their entire career at a single company. In 1981, we were told that the half‐life of an engineering career was 5 years, but while many did take up senior management positions and business roles, most remained very close to the engineering profession throughout their careers. Here, we summarize the career paths in broad terms, like how frequently graduates changed jobs, how much time they averaged in each company, and mention the role of education in their work. Of the 60 students who graduated in 1983, this perspective article excludes seven engineers who passed away prematurely, and another seven who could not be reached.
Witnessing abusive head trauma: Accidents show higher rates of intracranial pathologies than shaking
Authors: Brook Chris 
Published: August 2024

AbstractObjectivesThis study aims to determine whether intracranial injuries, such as seizures, encephalopathy, bilateral subdural hematoma (SDH), and severe bilateral retinal hemorrhage (RH), are indicators of abusive head trauma (AHT), particularly in cases involving shaking.MethodsData comprising 54 witnessed shaking cases were drawn from two studies in the literature. Data of 100 witnessed accidents comes from the pediBIRN collaboration. Rates of intracranial injuries in cases of unconflicted witnessed accidents are compared to rates in cases of witnessed shaking and also to cases of unconflicted witnessed shaking. Unconflicted is defined as observed by an independent, unbiased witness, or by a potentially biased witness (such as partner) if reported prior to medical examinations.ResultsWhen all witnessed shaking cases were considered, including potentially biased witnesses, there are higher rates of findings commonly associated with AHT in witnessed accidents than in cases of witnessed shaking, although the difference is only statistically significant for seizures and encephalopathy. When restricted to cases when the witness was unconflicted, the rates of all findings are significantly more common in accidents than in shaking.InterpretationAccidents result in more severe intracranial pathologies than shaking, aligning with biomechanical studies that have shown that impact exerts greater force on the brain than violent shaking.
Guiding organizations toward sustainable success: The strategic role of leadership in environmental corporate governance in the wine industry
Authors: Sánchez‐García Eduardo , Montalvo‐Falcón Johnny Vicente , Marco‐Lajara Bartolomé , Martínez‐Falcó Javier 
Published: August 2024

AbstractOur natural environment is suffering the consequences of the current highly dynamic and competitive social and economic conditions that force people and firms to mainly focus on economic outputs rather than in reducing their impact on the environment. In this context, environmentally aware leaders can play a key role in driving the development and implementation of sustainable practices within organizations, as well as the development an adequate organizational culture that promotes the engagement of its members. The objective of this research is to empirically evidence the influence of green transformational leadership on green performance, as well as the mediating role of green organizational culture and green engagement in this relationship. The results provide empirical evidence on the positive influence of green transformational leadership on green performance, as well as about the mediating variables raised, which has interesting practical, political and theoretical implications, related to the strategic management of firms, the promotion of environmental sustainability in corporate governance and industry standards, and the broader understanding of sustainable leadership in the academic sphere. Thus, this study provides a roadmap to embrace a leadership model that prioritizes environmental sustainability, advocating for a collective journey toward a sustainable future where leadership, culture, and commitment coalesce into a formidable force for environmental sustainability. It is concluded that there is a need for a paradigm shift where leadership integrates sustainability into the ethos of organizational culture.
ESG and firm value: A hybrid literature review on cost of capital implications from Scopus database
Authors: Postiglione Massimo , Carini Cristian , Falini Alberto 
Published: August 2024

AbstractThe relationship between ESG and firm value has been a relevant subject of study in recent years. We conducted a hybrid literature review to understand the literature's findings on this relationship and its implications in terms of cost of capital. First, a keyword co‐occurrence analysis on a 122 ABS ranked journals articles selection from Scopus database was adopted to identify and investigate the main research fields of the current literature. Then a content analysis through the bibliographic coupling of the most globally cited contributions was made, defining a final sample of 50 articles obtained through a minimum threshold of at least 15 total global citations (TGCs). We found that studies on the cost of debt configuration are more aimed at determining the implications on firm value, while most contributions on the cost of equity focus on the assessment of the risk–return profile for the investor or the construction of an ESG portfolio. Furthermore, we found that most of the literature has a consensus view on the lack of transparency behind the ESG ratings and their construction methodology, stating that disagreement on ESG ratings not only limits the results of empirical analysis, but can also negatively affect firm value due to a higher level of uncertainty.
Transit Archimedes optimization algorithm enabled deep learning for power and resource allocation NOMA technique for 5G cellular systems
Authors: Thakre Prasheel , Pokle Sanjay 
Published: August 2024

Summary5G communication technology is projected to provide extreme data rates that surpass user exposure, low power consumption, and greater short latency. A diverged multi‐layer approach is implemented by cellular networks with macro‐cells and various schemes of small cells to aid users with diverged quality of service (QoS) that affects more research by employing intervention management in 5G networks. Along with the escalating requirement for cellular services and adequate resources to furnish it and capable of handling the network traffic has become a resource distribution concern. The major concern is to facilitate the network jam having QoS. To overcome this concern, a potent investigation is developed for power and resource allocation, which is named as transit Archimedes optimization algorithm (TAOA). First, the non‐orthogonal multiple access (NOMA) system module is created with the aid of power consumption and energy modules. Then, user clustering (UC) is performed to gather the NOMA users into single or multiple clusters utilizing deep embedded clustering (DEC) in accordance with user grouping parameters, like signal‐to‐interference and noise ratio (SINR), position, initial power, and channel gain. After that, sub‐channel assignment and power allocation are done by the back propagation neural network (BPNN). Lastly, the presented module TAOA is performed to update the network parameters of BPNN, where TAOA is developed by the fusion of transit search (TS) optimization and Archimedes optimization algorithm (AOA). The analytic metrics utilized for finding the performance of the proposed TAOA‐BPNN are achievable rate, energy efficiency, sum rate, and throughput. The experimental results demonstrate that the proposed method offers good performance with the achievable rate of 3.273 Mbits, energy efficiency of 0.00000000473 J, sum rate of 0.00000248 s, and throughput of 0.00000346 Mbps.
Moderating effects of past wildfire on reburn severity depend on climate and initial severity in Western US forests
Authors: Tortorelli Claire M. , Latimer Andrew M. , Young Derek J. N. 
Published: August 2024

AbstractRising global fire activity is increasing the prevalence of repeated short‐interval burning (reburning) in forests worldwide. In forests that historically experienced frequent‐fire regimes, high‐severity fire exacerbates the severity of subsequent fires by increasing prevalence of shrubs and/or by creating drier understory conditions. Low‐ to moderate‐severity fire, in contrast, can moderate future fire behavior by reducing fuel loads. The extent to which previous fires moderate future fire severity will powerfully affect fire‐prone forest ecosystem trajectories over the next century. Further, knowing where and when a wildfire may act as a landscape‐scale fuel treatment can help direct pre‐ and post‐fire management efforts. We leverage satellite imagery and fire progression mapping to model reburn dynamics within forests that initially burned at low/moderate severity in 726 unique fire pair events over a 36‐year period across four large fire‐prone Western US ecoregions. We ask (1) how strong are the moderating effects of low‐ to moderate‐severity fire on future fire severity, (2) how long do moderating effects last, and (3) how does the time between fires (a proxy for fuel accumulation) interact with initial fire severity, day‐of‐burning weather conditions, and climate to influence reburn severity. Short‐interval reburns primarily occurred in dry‐ and moist‐mixed conifer forests with historically frequent‐fire regimes. Previous fire moderated reburn severity in all ecoregions with the strongest effects occurring in the California Coast and Western Mountains and the average duration of moderating effects ranging from 13 years in the Western Mountains to >36 years in the California Coast. The strength and duration of moderating effects depended on climate and initial fire severity in some regions, reflecting differences in post‐fire fuel accumulation. In the California Coast, moderating effects lasted longer in cooler and wetter forests. In the Western Mountains, moderating effects were stronger and longer lasting in forests that initially burned at higher severity. Moderating effects were largely robust to fire weather, suggesting that previous fire can mediate future fire severity even under extreme conditions. Our findings demonstrate that low‐ to moderate‐severity fire buffers future fire severity in historically frequent‐fire forests, underlining the importance of wildfire as a restoration tool for adapting to global change.
Landscape‐level habitat connectivity of large mammals in Chitwan Annapurna Landscape, Nepal
Authors: Adhikari Jagan Nath , Bhattarai Bishnu Prasad , Baral Suraj , Thapa Tej Bahadur 
Published: August 2024

AbstractThe populations of many species of large mammals occur in small isolated and fragmented habitat patches in the human‐dominated landscape. Maintenance of habitat connectivity in the fragmented landscapes is important for maintaining a healthy population of large mammal. This study evaluated the landscape patches and their linkages on two carnivores (leopard and Himalayan black bear) and seven prey species (northern red muntjac, chital, sambar, wild pig, Himalayan goral, rhesus macaque, and langur) between Chitwan National Park (CNP) and Annapurna Conservation Area (ACA) by using the least‐cost path (LCP) approach and the Linkage Mapper tool in ArcGIS. A total of 15 habitat patches (average area 26.67 ± 12.70 km2) were identified that had more than 50% of the total studied mammals. A weak relation among the habitat patches was found for chital and sambar (Cost‐weighted distance [CWD]: Euclidean distance EucD >100), showed poor connectivity between the habitat patches, while ratio of CWD and EucD was low (i.e., low LCP) between majority of the patches for muntjac, wild pig and leopard hence had potential functional connectivity along the landscape. Similarly, low LCP between the habitat patches located in the mid‐hills was observed for Himalayan goral and Himalayan black bear. Furthermore, the multi‐species connectivity analysis identified the potential structural connectivity between the isolated populations and habitat patches. Therefore, these sites need to be considered connectivity hotspots and be prioritized for the conservation of large mammals in the landscape.