bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bicyclic Sultams: From Organic Chemistry to Pharmaceutical Science
Authors: Chen Yifan , Wang Xiaobing 
Published: December 2024

AbstractCyclic sulfonamides (sultams) widely distributed in pharmaceuticals due to their abundant biological activities. Currently, many pharmaceuticals with bicyclic sultam scaffold have been approved, some of them even have become first‐line medicines. In this concept, representative synthetic methodologies towards bicyclic sultams were selected and discussed. Construction of bicyclic γ‐ and δ‐sultams were the focus due to their pivotal role in medicinal chemistry. Most of the methodologies were focus on the construction of the sultam ring, including intramolecular N‐central cyclization (INC), oxidative cyclization (OC), carbanion‐mediated sulfonamide intramolecular cyclization (CSIC), transition‐metal catalyzed cyclization (TMCC) and ring closing metathesis (RCM). Name reactions such as Michael addition and Heck reaction were also applied to the construction of bicyclic sultams. In addition, this concept also discussed the enzyme‐catalytic reactions and some special reactions due to their unique properties.
Bulk Stereoselective Cationic Polymerization of Vinyl Ethers by the Coordination of ZrCl4 with Tunable Spirocyclic Phosphoric Acids
Authors: Wu Yinong , Liu Xiong , Zhang Chengjian , Zhang Xinghong , Lin Xufeng 
Published: December 2024

AbstractControl over stereochemistry in poly(vinyl ether)s leads to a notable change in their physical properties, yet remains a grand challenge. Here, we demonstrate the bulk stereoselective cationic polymerization of vinyl ethers using ZrCl4 coordinated with a spirocyclic phosphoric acid (SPA). The widely variable substituents in SPAs exert a profound impact on the stereochemical and activity outcome of the polymerization: the % m of poly(vinyl ether)s linearly increases with the Hammett substituent constant (σ) of SPAs; the catalytic activity increases with the σ; the large steric hindrance groups lead to decreased polymerization activity. Mechanism studies suggest that the coordination of ZrCl4 with three equivalents of SPAs generates the chiral complex. The complex can abstract chlorine from the initiator/chain end to form the chiral ion pair allowing the selective facial addition of incoming monomers. The catalyst system features characteristics of no solvent, low loads, high tacticity control, high monomer scope, and recyclability.
Systematic Review and Meta‐Analysis: Taurine and Its Association With Colorectal Carcinoma
Authors: Sinha Akshat , Griffith Liam , Acharjee Animesh 
Published: December 2024

ABSTRACTBackgroundColorectal cancer (CRC) is one of the most common cancers. Various options are available for treatment, but prognosis is still poor in the more advanced stages. Current screening methods are not as accurate for distinguishing between benign and malignant growths, resulting in unnecessary invasive procedures. Recently a focus has been placed on identifying metabolites. Of these, taurine has frequently been detected, and this particular compound has a multifactorial role in human physiology.MethodsWe conducted a systematic review of studies up till November 2023. Searches were done in three databases‐ MEDLINE, CINAHL‐Ebsco, and PubMed. Three independent reviewers filter titles, abstracts, and full‐texts according to selection criteria. Ten studies (samples = 1714) were identified showing a differential level of taurine in CRC patient samples. Quality assessment accounted for the risk of bias of each study using the ‘robvis’ tool. Where meaningful comparisons could be made, meta‐analyses were carried out using the ‘R' program for precalculated effect sizes with ‘metagen’ in R. The ‘meta’ package was utilised for creation of forest plots.FindingsTaurine was shown to significantly increase odds of CRC. It was also significantly associated with being a discriminator for CRC as a diagnostic metabolite. This was maintained at various stages of CRC. Taurine had increased expression in CRC patients, especially when the matrix utilised was blood. Nevertheless, there was significant heterogeneity for some outcomes.InterpretationIn conclusion, these findings highlight the potential of using taurine as well as other bile acid metabolites (lithocholic and ursodeoxycholic acid) to diagnose CRC and illustrate the link with microbiome interactions. Overall increased taurine concentration are associated with significantly increased odds for CRC. There was mostly an increase in relative expression of taurine in CRC samples, excluding results from Wang et al.
Novel Bail‐Out Strategy for Pigtail Catheter Entrapment During TAVI: A Case Report
Authors: Bentakhou Elias , Cocoi Mihai , Santos Ignacio Amat , Claudiu Ungureanu 
Published: December 2024

ABSTRACTDevice entrapment during Transcatheter Aortic Valve Implantation (TAVI) is a rare but significant complication, particularly in cases involving calcified aortic anatomy. This case report presents a novel bailout strategy to address pigtail catheter entrapment during a TAVI procedure. An 86‐year‐old female undergoing TAVI with an Acurate neo2 prosthesis experienced pigtail catheter entrapment between the valve frame and calcified non‐coronary cusp during valve deployment. Initial attempts to retrieve the catheter failed, leading to concerns about valve displacement and potential complications. The innovative solution involved inflating a post‐dilation balloon within the valve to stabilize the prosthesis while simultaneously retrieving the trapped pigtail catheter. This technique ensured safe extraction without compromising valve integrity or necessitating surgical intervention. The report emphasizes the importance of preemptive measures, including confirming the catheter's free movement and retracting it before final valve release, to prevent similar complications.
Developing bio‐carbon matrices for the encapsulation of silicon nanoparticles for high‐performance lithium‐ion battery anode materials
Authors: He Wei , Su Zihao , Qu Meizhen , Peng Gongchang , Liu Wenjing 
Published: December 2024

AbstractSilicon (Si) is considered to be one of the most promising anode materials for next‐generation lithium‐ion batteries because of its abundant reserves, low discharge potential, and most importantly, its high theoretical specific capacity. However, the practical application of Si‐based anodes is mainly hindered by the low intrinsic conductivity of Si and the large volume change upon lithiation/de‐lithiation. In order to improve the electrochemical performance of Si‐based anodes, we prepared a composite material consisting of Si nanoparticles (NPs) and coconut silk bio‐carbon (CSC) skeleton. The porous carbon skeleton derived from coconut silk with natural through‐holes and ample micropores on the wall, which was used as the carrier of Si NPs. The continuous through‐holes and well‐distributed oxygen‐containing functional groups of the CSC provided sufficient space and abundant adsorption active sites for Si NPs, what‘s more, the good dispersion of Si NPs in the through‐holes increased their contact with the surrounding carbon materials, which was conducive to electron transport. Meanwhile, the pore structure also provided buffer space for the volume expansion of Si. The rich oxygen‐containing functional groups can form a certain chemical force with silicon particles, and further stabilize the nano silicon particles. Hence, the CSC/Si electrode revealed an excellent capacity retention of 82.8 % at 1 A g−1 after 100 cycles. This study provides a simple universal high‐throughput method to obtain anode materials with outstanding electrochemical properties and promotes the further development of Si/C composites.
A Water Channel‐like Structure Self‐Assembled by Nucleosides
Authors: Wang Zheng , Li Changfu , Yin Yijia , Zhao Yuxi , Bai Ding , Zhao Hang 
Published: December 2024

AbstractAs artificial water channels have received widespread attention, various types of artificial water channels have been reported. However, apart from I‐quartet channels, the development of 1D water channels with water wires constructed from small molecules has rarely been reported, because of the difficulty in precisely tuning the dipolar water molecules. Inspired by G‐quartet functionalization strategies, this study explored C8 modifications of our previously reported molecule, 2‐amino‐2’‐fluoro‐2’‐deoxyadenosine (2FA), known for its strong hydration properties and self‐assembly capabilities, and investigated its potential for constructing nucleoside‐based water channel‐like structures. Among all derivatives, 2‐amino‐8‐(4‐aminophenyl)‐2’‐deoxy‐2’‐fluoro‐D‐adenosine can form an S‐shaped channel as a tetramer, incorporating water wire arrays in the solid state. Such water channel‐like structures in nucleoside self‐assemblies provide new insights into the development of novel nucleoside‐based supramolecular water channel materials.
Unjamming Transition as a Paradigm for Biomechanical Control of Cancer Metastasis
Authors: Cai Grace , Rodgers Nicole C. , Liu Allen P. 
Published: December 2024

ABSTRACTTumor metastasis is a complex phenomenon that poses significant challenges to current cancer therapeutics. While the biochemical signaling involved in promoting motile phenotypes is well understood, the role of biomechanical interactions has recently begun to be incorporated into models of tumor cell migration. Specifically, we propose the unjamming transition, adapted from physical paradigms describing the behavior of granular materials, to better discern the transition toward an invasive phenotype. In this review, we introduce the jamming transition broadly and narrow our discussion to the different modes of 3D tumor cell migration that arise. Then we discuss the mechanical interactions between tumor cells and their neighbors, along with the interactions between tumor cells and the surrounding extracellular matrix. We center our discussion on the interactions that induce a motile state or unjamming transition in these contexts. By considering the interplay between biochemical and biomechanical signaling in tumor cell migration, we can advance our understanding of biomechanical control in cancer metastasis.
Dynamic Load Balancing in Kubernetes Environments With Kubernetes Scheduling Extension (KSE)
Authors: Moritz de Carvalho Neto Pedro , Castro Márcio , Siqueira Frank 
Published: December 2024

ABSTRACTKubernetes is a flexible and reliable container orchestrator that has been employed to maintain massive cloud infrastructures worldwide. The task of allocating “Pods” (deployable units of computing that have one or more containers) to cluster nodes in Kubernetes is done by the Kube‐Scheduler module, which determines which nodes are valid placements for each Pod according to constraints and available resources. Since it only acts at Pod creation, it does not take any action when the load of the system becomes uneven. In imbalanced scenarios, overloaded nodes can compromise the performance and availability of services hosted by them, whereas underloaded nodes may be a waste of financial resources, especially when using public clouds. In this paper, we propose an extension to the Kubernetes scheduler, called Kubernetes Scheduling Extension (KSE), which allows users to implement dynamic load‐balancing algorithms that can migrate Pods between nodes at runtime. We also provide the implementation of two well‐known load‐balancing algorithms (KSE‐GreedyLB and KSE‐RefineLB) in KSE, which can balance the load of system nodes using CPU and memory consumption metrics. We carried out several experiments to assess the effectiveness of KSE‐GreedyLB and KSE‐RefineLB and compared their results with Kube‐Scheduler. Overall, we evaluated 32 different scenarios using synthetic and realistic applications. Our results showed that KSE‐RefineLB achieves better results than Kube‐Scheduler when the workload is highly imbalanced while keeping similar performance when the load imbalance is low.
An Efficient Services Placement for Optimizing the Energy Consumption in Volunteer Cloud Computing
Authors: Maaouia Omar Ben , Fkaier Hazem , Cerin Christophe , Jemni Mohamed 
Published: December 2024

ABSTRACTVolunteer Cloud computing, like traditional Cloud computing, has gained significant importance due to its ability to harness resources from individual personal machines, contributed voluntarily by their owners. In this paradigm, personal machine resources are shared voluntarily by their owners. This approach is particularly valuable for handling data‐intensive computations and storing Big Data. However, managing the potential unavailability of volunteer machines is crucial. Additionally, in Volunteer Cloud environments, energy consumption is becoming increasingly significant alongside execution time and cost. However, optimizing energy consumption remains a critical challenge, particularly in environments with dynamic and unpredictable availability of volunteer resources. This paper investigates the problem of energy‐efficient services placement in Volunteer Cloud environments. Specifically, we address the challenge of optimally deploying and running independent applications to minimize energy consumption while ensuring that physical machines are not overloaded and avoiding redundant deployments on the same machine. We propose two heuristic strategies to tackle this problem: the Dynamic Shortest Path Strategy (D‐SPS‐VC) for dynamic service placement and the Static Shortest Path Strategy (S‐SPS‐VC) for static service placement. These strategies are designed to optimize energy efficiency by considering constraints such as machine availability, capacity, and application duplication. The main contribution of this study is the development of these heuristic strategies, which are validated through a series of experiments that demonstrate their effectiveness in reducing energy consumption in Volunteer Cloud environments.
Beyond profit: Exploring CEO tenure, social value risk‐taking, and competitive dynamics in savings banks
Authors: Lee Steve Kyungjae 
Published: December 2024

AbstractExisting research overlooks the possibility that firms may engage in risk‐taking for social value beyond profit. Drawing on the community embeddedness literature, we propose that firms engage in risk‐taking for social value to enhance their local standing and acceptance. We examine the microfinance lending activities of 79 South Korean savings banks from 2013 to 2022 to test our hypotheses. Contrary to previous findings that longer CEO tenure decreases corporate risk‐taking, our results show that longer CEO tenure is associated with increased corporate risk‐taking for social value, suggesting that the impact of CEO tenure on risk‐taking depends on the firm's goals. Additionally, our results indicate that when neighboring firms in the same community engage in legitimacy‐enhancing behaviors, this triggers a corresponding increase in the focal firm's efforts to enhance local legitimacy. This implies a competitive “race for legitimacy” among firms within the community. We discuss these findings' implications and explore future research directions.
Maternal Prenatal Stress and the Offspring Gut Microbiome: A Cross‐Species Systematic Review
Authors: Graf Michelle D. , Murgueitio Nicolas , Vogel Sarah C. , Hicks Lauren , Carlson Alexander L. , Propper Cathi B. , Kimmel Mary 
Published: December 2024

ABSTRACTThe prenatal period is a critical developmental juncture with enduring effects on offspring health trajectories. An individual's gut microbiome is associated with health and developmental outcomes across the lifespan. Prenatal stress can disrupt an infant's microbiome, thereby increasing susceptibility to adverse outcomes. This cross‐species systematic review investigates whether maternal prenatal stress affects the offspring's gut microbiome. The study analyzes 19 empirical, peer‐reviewed research articles, including humans, rodents, and non‐human primates, that included prenatal stress as a primary independent variable and offspring gut microbiome characteristics as an outcome variable. Prenatal stress appeared to correlate with differences in beta diversity and specific microbial taxa, but not alpha diversity. Prenatal stress is positively correlated with Proteobacteria, Bacteroidaceae, Lachnospiraceae, Prevotellaceae, Bacteroides, and Serratia. Negative correlations were observed for Actinobacteria, Enterobacteriaceae, Streptococcaceae, Bifidobacteria, Eggerthella, Parabacteroides, and Streptococcus. Evidence for the direction of association between prenatal stress and Lactobacillus was mixed. The synthesis of findings was limited by differences in study design, operationalization and timing of prenatal stress, timing of infant microbiome sampling, and microbiome analysis methods.
Influence of messaging and party affiliation on energy conservation behavior: An evaluation from the US
Authors: Curley Cali , Xu Corey Keiwei , Orlove Ben , Forster Hale , Harrison Nicky 
Published: December 2024

AbstractGovernments have numerous avenues available to them to leverage energy consumption reductions. Low‐cost policy options may be as simple as incorporating information related to energy consumption reduction. Despite the viability of these low‐cost options, there is little understanding of how individual characteristics influence the viability of messaging strategies. This study fills the research gap by investigating how residents' political affiliation may affect their response to utility messaging for reducing energy consumption. We use the City of Tallahassee, Florida, as a testbed to investigate how informational messages alter customers' energy consumption behavior. We examined the effects of monthly messages on a random sample of 3000 households from 2011 to 2015. Our analysis reveals that pro‐environmental and cost savings frames result in different levels of energy conservation according to political affiliation. This study helps resolve previous studies' inconsistent findings by expanding the information analysis to fine‐scale data observed in actual energy consumption behavior. For practitioners, our results shed new light on how to effectively alter customers' energy conservation behavior through messaging by strategically accounting for the characteristics of customers.
“Here and now, by us”: Co‐production of climate action pathways in forest landscapes
Authors: Reimerson Elsa , Hallberg‐Sramek Isabella , Priebe Janina 
Published: December 2024

AbstractClimate change requires locally tailored solutions that consider diverse environmental and cultural contexts. This study situates climate action within Sweden's forest landscapes, exploring how local forest stakeholders prioritize and motivate climate action targets for immediate implementation. By engaging in knowledge co‐production processes in local communities, we sought to develop place‐based climate action pathways, rooted in stakeholders' visions for their communities' futures. We identified three main climate action pathways: forest‐based bioeconomy, localism, and global systemic change. These pathways varied in policy targets, governance directions, focus of change, and preferred economic systems. We found that while the pathways generally aligned with the underlying assumptions of overarching scenario archetypes, their ideological differences regarding governance and policy levels and directions were less distinct. Moreover, despite differing foci and perspectives, forest management strategies were similar in all pathways. The ideological dimensions of the climate action pathways became less visible when considering the management of forests. Our findings underscore the embeddedness of local climate action within broader environmental, social, and political structures, and the challenges of linking local landscape understandings to global environmental processes. While practical, locally specific solutions can transcend ideological debates, they may also obscure necessary ideological and political considerations for effective land use and management strategies for climate change adaptation and mitigation.
The role of trust in the international climate negotiations
Authors: Schroeder Heike , Beyers Felix , Schäpke Niko Alexander , Mar Kathleen A. , Wamsler Christine , Stasiak Dorota , Lueschen Tim , Fraude Carolin , Bruhn Thomas , Lawrence Mark 
Published: December 2024

AbstractIn this paper, we examine the role of trust in the international climate negotiations. We (1) identify forms of trust inferred from institutional designs, (2) analyse effects of institutional design on social and political trust and (3) describe the relationship between social and political trust in international climate change negotiations. We do this by combining document analysis, literature review and interviews. We find that the United Nations Framework Convention on Climate Change (UNFCCC), the Kyoto Protocol and the Paris Agreement imply different forms of trust and thereby produce different levels of trust. Social trust is generally medium to high, political trust rather low. Our analysis illustrates tensions and contradictions between human agency and intention, on the one hand, and political agency and process, on the other. These tensions and contradictions are such that, although delegates at the international climate conferences do at least partly trust each other, they meet in an institutional context that is marked by lack of political trust. Moving forward, we discuss whether this lack of trust is well‐founded or not given the current institutional and organisational structures of the UNFCCC and its subsequent agreements and what it is highlighting in terms of specific flaws or omissions in the UNFCCC's design.
Tuneable Phosphaamidinate Ligands: Alkyl‐Magnesium Complexes Responsive to Increased Ligand Bulk
Authors: Urwin Stephanie J. , Stanford Martin W. , Nichol Gary S. , Garden Jennifer A. , Cowley Michael J. 
Published: December 2024

AbstractWe describe the synthesis of five new phosphaamidine ligands of formula RNC(R’)P(H)(R’’), featuring a hindered tert‐butyl‐bearing backbone and variable steric bulk at both the nitrogen and phosphorus centres. Crystallographic and heteronuclear NMR studies indicate the geometry of the phosphaamidine is dependent on the steric bulk of the peripheral substituents, and in one case multiple isomers were observed in solution. Ligand deprotonation by reaction with 0.5 or 1 equivalents of nBu2Mg respectively forms heteroleptic (LMgnBu) or homoleptic (L2Mg) complexes, with the most bulky phosphaamidinate ligand generating a monomeric, unsolvated three‐coordinate magnesium centre. Three LMgnBu complexes were isolated and show excellent activity for the ring opening polymerization of rac‐lactide (<99 % conversion in two minutes), with a uniform polymer chain length (Đ=1.02–1.37).
Diamonds in Chemical Space: The Synthesis of Brexazine
Authors: Rebhan Leon , Buehler Ye , Reymond Jean‐Louis 
Published: December 2024

AbstractHere we searched chemical space for small and novel diamond‐like, 3D‐shaped building blocks, which are very rare but highly valuable for medicinal chemistry because they can increase the natural product likeness of drug molecules and improve their selectivity, water solubility and metabolism. We explored the Generated DataBases (GDBs), which list all possible organic molecules up to a defined size, identified 162 norbornane containing ring systems related to the known trinorbornane, and took inspiration from its simpler substructure brexane to design brexazine as a new chiral and 3D‐shaped piperazine analog. The synthesis of brexazine was realized in 11 steps and 11.5 % overall yield from a commercially available norbornene building block. These experiments illustrate the value of exploring chemical space from first principles to design new building blocks for drug discovery.