bluuebunny/crossref_metadata_2025_split huggingface dataset:
Targeted Genome Mining Facilitates the Discovery of a Promiscuous, Hyperthermostable Amidase from Thermovenabulum Gondwanense with Notable Nylon‐Degrading Capacity
Authors: Hoffman Esther R. , Rangaswamy Alana M. M. , Cleveland Maria E. , Keillor Jeffrey W. , Howe Graeme W. 
Published: October 2024

AbstractPlastics are ubiquitous in our ecosystems, and microplastic accumulation in the environment is an emerging global health concern. Since available recycling technologies are not economically competitive with primary plastic production, global use is expected to reach 1231 megatons by 2060, with 493 megatons leeching into the environment each year. To identify new nylon‐recycling biotechnologies, targeted genome mining was used to identify thermostable enzymes capable of degrading polyamides. Here, we describe the characterization of a novel protein sourced from Thermovenabulum gondwanense: TvgC. TvgC is extremely stable, exhibiting a melting temperature of 93 °C and no detectable losses in hydrolytic activity after one week at 60 °C. While nylonases primarily process nylon‐6, TvgC catalysed the degradation of both nylon‐6 and nylon‐6,6 films, which are considerably more difficult to degrade. Finally, conversion experiments demonstrate that TvgC achieves a 1.2 wt % conversion of nylon‐6 film, comparable to that of the most highly engineered nylonases. This novel hyperthermostable protein represents an excellent starting point for future engineering of increasingly efficient nylonases.
A Structural and Functional Mimic of P680+
Authors: Biswas Sachidulal , Kelly Oscar Reid , Twamley Brendan , McDonald Aidan R. 
Published: October 2024

AbstractOne or multiple chlorophyll a molecules are employed in the reaction center of photosystem II′s main electron donor (defined as P680). We have a poor understanding of how the reaction center facilitates water oxidation in photosystem II and the roles that mono‐ and/or multimeric chlorophyll groups play when P680 oxidizes a neighboring tyrosine in order to drive water oxidation at the oxygen evolving complex. We have prepared a dimeric MgII‐porphyrin complex [Mg2(BTPP)] (1, H4‐BTPP=1,2‐bis‐(10,15,20‐triphenylporphyrin‐5‐yl)‐benzene) as a structural and functional mimic of the dimeric core of P680. 1 was oxidized by one‐electron to the corresponding π‐cation radical complex 2. The radical cation was characterized by UV/Vis‐NIR, FT‐IR, and EPR spectroscopic techniques. 2 was shown to be reactive towards phenols to give the corresponding phenoxyl radicals, mimicking the reactivity of the P680 cation radical which oxidizes tyrosine to tyrosyl radical. Critically, the dimeric π‐cation radical showed markedly higher rates of proton coupled electron transfer oxidation (PCET) of phenols when compared to its monomeric counterpart [Mg(TPP)] (TPP=5,10,15,20‐tetraphenylporphyrin). Our findings demonstrate that MgII‐porphyrin complexes are reliable mimics of photosynthetic PCET processes and suggest that photosynthetic reaction centers with multiple π‐conjugated complexes likely lower the barrier to PCET oxidation by π‐cation radical species.
Efficiency enhancement of a combined cycle power plant by thermal integration of multiple waste heat streams with organic Rankine cycle
Authors: Talib Razia , Khan Zakir , Khurram Shahzad , Inayat Abrar , Shahzad Khurram , Watson Ian A. 
Published: October 2024

AbstractThe study investigated the efficiency improvement of a 9.5 MW gas engine‐based combined cycle power plant utilizing multiple waste heat streams in an organic Rankine cycle. Four different waste heat sources were considered: I) boiler stack gas, II) engine jacket water, III) boiler steam, and IV) engines' exhaust gas. Besides, three different organic fluids; R245fa, R134a, and R1234ze(Z) were employed to find the best working fluid in the given operating conditions. The performance analysis of the ORC revealed that R245fa is a suitable potential fluid for cases I and II, whereas R134a performs better for cases III and IV. Integrating the ORC with the boiler stack using R245fa at 8 barg provided an additional 16.5% waste gas heat recovery. It increased the net electric efficiency of the existing plant by 0.7%. The jacket water heat recovery further improved the net electric efficiency by 2.1%. By integrating both streams with the ORC in the existing system, the net electrical efficiency was increased from 42.6% to 45.3%. The estimated payback period for the jacket water heat recovery scenario utilizing Chinese ORC equipment was 9.3 years. However, this period was significantly reduced to 4.6 years for general industry applications, rendering it economically viable.
N‐Heterocyclic Silylene‐Cu(I) Complexes as Efficient Catalysts for Three‐Component Coupling Reactions
Authors: Kashish  , Hossain Md Jabed , Khan Shabana 
Published: October 2024

AbstractWe have explored NHSi‐supported copper(I) complexes as active and highly efficient catalysts for A3 (aldehyde‐alkyne‐amine) and KA2 (ketone‐alkyne‐amine) three‐component coupling reactions to synthesize propargyl amines in excellent yields with high TOF under solvent‐and additive‐free conditions.
A new look at the finance–environment nexus: How yield spread affects environmental quality in the United States
Authors: Bulut Umit , Apergis Nicholas , Isik Cem , Ongan Serdar 
Published: October 2024

AbstractEnhancing environmental quality is currently a key focus for policymakers. Furthermore, researchers are also prioritizing the investigation of novel variables that can influence environmental quality. The yield spread is commonly used as a leading indicator for business cycles in the macro‐finance literature, providing information about future expectations regarding business cycles. The yield spread also presents information about the borrowing costs of firms. None of the existing studies in the environmental economics literature has tested the impact of the yield spread on environmental quality, implying the level of the yield spread has not been considered a variable that can influence environmental quality. This study aims to fill this gap by providing evidence on the effect of yield spread (between 2‐ and 10‐year government bonds) on environmental quality in the United States from June 1976 to September 2023. The results indicate that an increase in the yield spread leads to a rise in environmental destruction. These results suggest two considerable consequences. First, optimistic expectations today lead to the overuse of resources and environmental destruction. Second, firms' higher borrowing costs may be forcing them to use less environmentally friendly production methods to offset more expensive financing costs and increase their profits. This study asserts that companies should enhance their environmental sensitivity, and policymakers should adopt a more proactive stance, based on the results of this study and other research that demonstrates the detrimental impacts of environmental regulation violations and poor environmental performances on companies' stock prices and financial performances.
Leukocyte immunoglobulin‐like receptor B4: A keystone in immune modulation and therapeutic target in cancer and beyond
Authors: Liu Qi , Liu Yuyang , Yang Zhanyu 
Published: October 2024

AbstractLeukocyte immunoglobulin‐like receptor B4 (LILRB4) significantly impacts immune regulation and the pathogenesis and progression of various cancers. This review discusses LILRB4's structural attributes, expression patterns in immune cells, and molecular mechanisms in modulating immune responses. We describe the influence of LILRB4 on T cells, dendritic cells, NK cells, and macrophages, and its dual role in stimulating and suppressing immune activities. The review discusses the current research on LILRB4's involvement in acute myeloid leukemia, chronic lymphocytic leukemia, and solid tumors, such as colorectal cancer, pancreatic cancer, non‐small cell lung cancer, hepatocellular carcinoma, and extramedullary multiple myeloma. The review also describes LILRB4's role in autoimmune disorders, infectious diseases, and other conditions. We evaluate the recent advancements in targeting LILRB4 using monoclonal antibodies and peptide inhibitors and their therapeutic potential in cancer treatment. Together, these studies underscore the need for further research on LILRB4's interactions in the tumor microenvironment and highlight its importance as a therapeutic target in oncology and for future clinical innovations.
Advancements in hydrogel‐based embolic agents: Categorized by therapeutic mechanisms
Authors: Zhang Shenbo , Lv Rui , Zhang Zhe , Wang Zhiwei , Jin Zhengyu 
Published: October 2024

AbstractBackgroundTranscatheter arterial embolization (TAE) is a crucial technique in interventional radiology. Hydrogel‐based embolic agents show promise due to their phase transition and drug‐loading capabilities. However, existing categorizations of these agents are confusing.AimsThis review tackles the challenge of categorizing hydrogel‐based embolic agents based on their therapeutic mechanisms, including transportation, accumulation, interaction, and elimination. It also addresses current challenges and controversies in the field while highlighting future directions for hydrogel‐based embolicagents.Materials and MethodsWe conducted a systematic review of papers published in PUBMED from 2004 to 2024, focusing primarily on preclinical trials.ResultsVarious kinds of hydrogel embolic agents were introduced according to their therapeutic mechanisms.DiscussionMost hydrogel embolic agents were specifically designed for effective accumulation and interaction. Recent advancement highlight the potential of multifunctional hydrogel embolic agents.ConclusionThis new categorizations provided valuable insights into hydrogel embolic agents, potentially guiding material scientists and interventional radiologists in the development of novel hydrogel embolic agents in transarterial embolization.
A Novel Urine DNA Predictor for Noninvasive Early Diagnosis and Monitoring Minimal Residual Disease of Upper Tract Urothelial Carcinoma
Authors: Zuo Wei , Guo Xuanjun , Zhang Jilong , Yu Wei , Zhang Yanrui , Cheng Huanqing , Tang Qi , Li Xuesong , He Zhisong , Zhou Liqun 
Published: October 2024

ABSTRACTBackgroundFor early detection and postoperative monitoring of upper tract urothelial carcinoma (UTUC), the traditional detection method was limited to its invasiveness and insufficient sensitivity. We aim to use urine tumour DNA (utDNA) for detecting minimal residual disease (MRD), early diagnosis and perioperative monitoring in UTUC.MethodWe previously established a utDNA multidimensional bioinformatic valuation model, named utLIFE, using low‐coverage whole‐genome sequencing and targeted deep sequencing. This prospective cohort enrolled 93 patients diagnosed with UTUC without metastasis. We collected morning urine samples on the day of surgery and the discharge day after the operation for utLIFE testing. In addition, we also enrolled 80 healthy controls to further validate the specificity of the utLIFE model in the study.ResultsThe utLIFE of preoperative samples could discriminate UTUC with high specificity (96.25%, 77/80), and high sensitivity (96.77%, 90/93) regardless of stage and grade. The sensitivity of utLIFE was significantly higher than urine cytology (p < 0.001) and fluorescence in situ hybridisation (FISH) (p < 0.001) (N = 19), especially in early‐stage and low‐grade UTUC. Postoperative utLIFE scores were significantly decreased compared with those of preoperative samples (79 vs. 36, p < 0.001), indicating its association with tumour burden. For special pathology types, utLIFE performed less well in sensitivity and perioperative alteration.ConclusionIn conclusion, we established a bioinformatic utDNA valuation model, utLIFE, which was validated to be a rapid and noninvasive approach with high sensitivity for early detection and MRD monitoring for UTUC.
Synthesis and Molecular Docking of Curcumin‐Derived Pyrazole‐Thiazole Hybrids as Potent α‐Glucosidase Inhibitors
Authors: Al‐Humaidi Jehan Y. , Albedair Lamia A. , Maliwal Deepika , Zaki Magdi E. A. , Al‐Hussain Sami A. , Pissurlenkar Raghuvir , Mukhrish Yousef E. , Abolibda Tariq Z. , Gomha Sobhi M. 
Published: October 2024

Abstractα‐Glucosidase inhibitors are critical for diabetes management, with pyrazoles and thiazoles emerging as effective options. This research highlights curcumin‐based pyrazole‐thiazole hybrids as potential inhibitors, synthesizing derivatives and evaluating their inhibitory capabilities. The study involved the synthesis of novel compounds using hydrazonoyl halides, confirmed through elemental and spectral analyses. The synthesized derivatives exhibited significant α‐glucosidase inhibition, with IC50 values ranging from 3.37±0.25 to 16.35±0.37 μM. Among them, compound 7e demonstrated the strongest inhibition at 3.37±0.25 μM, outperforming the standard drug acarbose (IC50=5.36±0.31 μM). In silico assessments and molecular docking using AutoDock Vina revealed strong interactions, particularly with compounds 7b, 7e, 7f, and 7g, indicating their potential as stable and effective inhibitors. The results suggest that the synthesized pyrazole‐thiazole hybrids hold promise as novel therapeutic agents for diabetes, warranting further exploration of their substituent effects for optimized inhibitor design.
Prediction of Transport and Deposition of Porous Particles in the Respiratory System Using Eulerian–Lagrangian Approach
Authors: Eshaghi Sajad , Khaleghi Hassan , Maddahian Reza 
Published: October 2024

ABSTRACTDeep lung delivery is crucial for respiratory disease treatment. Although nano and submicron particles exhibited a good deposition efficiency in deep regions of the lung, powder nonuniformity and particle agglomeration reduce their efficiency. Inhalation of porous particles (PPs) can overcome the mentioned challenges due to their larger size and low‐density. The present study numerically investigates the deposition and penetration efficiency of orally inhaled PPs. A revised drag coefficient was implemented for PP transport. A realistic mouth–throat to the fifth generation of the lung was reconstructed from CT‐scan images. A dilute suspension of uniformly distributed particles was considered at three inhalation flow rates (15, 30, and 45 L/min). Governing equations of the flow field and particle transport are solved using an Eulerian–Lagrangian approach. The results demonstrate that inhaling PPs significantly reduces the total and regional deposition of particles. There was also a critical porosity value under moderate and high inhalation flow rates for large PPs. Below this critical value, PP deposition efficiency substantially decreases. Additionally, it was also found that under low inhalation flow rates, the impact of porosity value is negligible. Almost 95% of the PPs penetrate the lower branches. These findings provide particle engineers and pharmaceutics with profound insight into developing novel inhalation techniques and drug delivery methods for deep lung delivery.
A Case of Epithelioid Angiosarcoma Diagnosed From Gross Examination of a Pulmonary Tumor Utilizing Imprint Cytology and Immunocytochemistry
Authors: Mori Tatsuya , Mizuguchi Keishi , Shimaguchi Chie , Sakano Kaori , Shimoda Tsubasa , Okawa Urara , Okuda Miyu , Usui Mayo , Ikeda Hiroko 
Published: October 2024

ABSTRACTBackgroundAngiosarcoma, a very rare malignant tumor constituting 2%–4% of soft tissue sarcomas, manifest in diverse organs including skin, soft tissues, and bones. Histologically, angiosarcoma presents a wide range of morphologies, with epithelioid angiosarcoma (EAS) resemblance to carcinoma. The difficulty arises from the shared epithelial‐like morphology and expression of epithelial markers in immunohistochemistry.CaseThis study reports a case where EAS diagnosis was achieved through a combination of gross findings in a lung resection sample, imprint cytology, and immunocytochemistry. Imprint cytology revealed clusters of epithelioid cells, while immunocytochemistry showed positive results for CD31, ERG, Fli‐1, and AE1/AE3, proving instrumental in diagnosing EAS. The described immunocytochemical protocol facilitates prompt diagnosis exclusively through cytology samples.ConclusionThis report emphasizes the potential for diagnosing EAS using cytological specimens, which is especially useful in cases where obtaining tissue samples proves challenging.
A Pericyclic Reaction in the Gas Phase Identified by Rotational Spectroscopy: Reaction of a Thiocarboxylic Acid with Sulfur Trioxide
Authors: Reynolds Aaron J. , Koziol Kenneth J. , Leopold Kenneth R. 
Published: October 2024

AbstractThe reaction of sulfur trioxide (SO3) and thiobenzoic acid (C6H5COSH) is investigated in the gas phase under supersonic jet conditions. Rotational spectroscopy of the parent and several isotopically substituted derivatives, in conjunction with DFT calculations at the M06‐2X/6‐311++G(3df,3pd) level of theory, identify the product as thiobenzoic sulfuric anhydride, C6H5C(=S)OSO2OH. Single point CCSD(T)/CBS(D−T)//M06‐2X/6‐311++G(3df,3pd) calculations place the electronic energy of the product anhydride 114 kJ/mol lower than that of SO3+C6H5COSH at infinite separation. The calculations further indicate that the reaction proceeds through a cyclic transition state which lies 11.3 kJ/mol higher in energy than a C6H5COSH⋅SO3 complex, but 83.3 kJ/mol lower in energy than that of the separated reactants. The reaction is rapid under the experimental conditions of this study: based on the duration of the collisional phase of the supersonic expansion, it is clear that the product is formed within tens of microseconds after mixing. While the analogous reaction of carboxylic acids with SO3 has been demonstrated, the ability of a thiocarboxylic acid to undergo similar chemistry has not previously been established. Although rotational spectroscopy is best known for its precise interrogation of molecular and electronic structure, this work demonstrates its ability to study chemical transformations as well.
Values‐based barriers and good practices in sustainability‐oriented innovation management
Authors: Ivanov Kiril 
Published: October 2024

AbstractDespite growing awareness of and interest in the role values play in innovation, a systematic overview and classification of recurrent barriers to the integration of stakeholder values in innovation activities are still lacking. A comprehensive overview of good practices to facilitate the management of values for sustainability‐oriented innovation (SOI) is also missing. Due to conceptual confusion, different value frameworks and unsystematic evidence about effective practices, it is still difficult to manage values for SOI. The present study aims to bridge these gaps by gathering evidence from a comprehensive literature review and from expert interviews with 17 innovation specialists. It identifies 21 barriers and 28 good practices and classifies them according to the integrative, generative and directive functions of values. A conceptual model is proposed to explain how managing stakeholder values across the different dimensions of responsible innovation practice can facilitate SOI.
A Fair MAC Protocol Based on Dual Bandwidth Allocation Iterations in Underwater Acoustic Sensor Networks
Authors: Feng Libin , Liu Jingke , Chen Yanxia , Yao Jiangyuan 
Published: October 2024

ABSTRACTMost existing passive allocation‐based media access control (MAC) protocols for underwater acoustic sensor networks (UASNs) overlook the fairness issue in channel bandwidth allocation, resulting in certain nodes occupying channel resources for extended periods, thereby leading to low channel utilization. To address this issue, this paper proposes a fair MAC protocol based on dual bandwidth allocation iterations (FBA‐MAC). Firstly, by limiting the maximum number of packets and the maximum number of available time slots that the host node can receive in each communication cycle, the protocol reduces collisions and collisions more effectively, thus controlling the communication delay. Secondly, in the process of channel bandwidth allocation, a dual bandwidth allocation iterative method was used to allocate appropriate channel bandwidth for each member node according to its communication requirements and the generation time of its generated data packets. Finally, in order to minimize the time interval of each packet arriving at the host node to reduce the communication delay, the transmission scheduling scheme was adaptively adjusted by combining the results of channel bandwidth allocation to maximize the channel utilization. Simulation results indicate that compared to the other four MAC protocols, FBA‐MAC demonstrates significant advantages in terms of fairness (10% higher), achieving higher network throughput (10% higher) and shorter end‐to‐end delay. Therefore, FBA‐MAC exhibits superior adaptability and efficiency in dynamic network environments.
Bracing urban governance against climate crises: How to integrate high reliability into strategic decision‐making?
Authors: Vihma Peeter , Hukkinen Janne I. 
Published: October 2024

AbstractTurning cities socio‐ecologically resilient is one of the pressing challenges in the face of ongoing climate change and accompanying extreme weather events. Despite concentrated efforts within specific urban domains, there exists a necessity for a coordinating mechanism that can concurrently monitor signals of slowly maturing long‐term crises, such as global warming and swiftly intervene to mitigate urgent threats, such as catastrophic floods. This article explores the potential of high reliability principles to inform such a governance mechanism through a novel policy operations room (POR) framework, conceptualizing urban strategic goals as critical infrastructure. We analyze the conditions for integrating elements from top‐down crisis management with bottom‐up participatory scenario exercises and policy simulations in urban governance. Based on pre‐ and post‐POR interviews and meeting transcripts in three Finnish cities we examine the regulative, normative, and cognitive aspects of integration. The analysis indicates that the implementation of a high reliability framework in urban settings can provide valuable support for addressing challenges induced by climate change.
Efficiency Enhancement in the Liquefied Natural Gas Storage Scheme: Exploring Thermal Performance for Enhanced Energy Storage Solutions
Authors: Salman Muntadher Nahi , Ranjbar Seyyed Faramarz , Jafari Moharram , Talati Faramarz 
Published: October 2024

ABSTRACTThe ongoing transition in the energy sector demands more efficient and reliable energy storage solutions. Our study addresses this need by optimizing the industrial process of liquefied natural gas (LNG) storage, focusing on enhancing thermal performance and energy efficiency. Leveraging a standard LNG storage design, we meticulously evaluated critical supporting variables, modeled key components, and conducted integrated cycle simulations. The primary goal was to minimize the volume of stored gas (achieving a reduction to approximately 1/600th of its gaseous state) while maintaining optimal storage conditions. Our methodology prioritizes insulation over pressure‐bearing factors in large‐scale tanks, aligning with the unique thermal challenges of LNG storage. Simulations were based on methane, which constitutes over 86% of the natural gas in the Middle East, ensuring relevance to the region's resources. The results are promising, with a compression stage reaching a maximum pressure of 2.377, an energy efficiency ratio of 60.71%, and a performance coefficient of 3.188. These findings offer a significant step forward in developing more effective and efficient LNG storage systems, contributing to the broader goal of sustainable energy management.