bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structural Elucidation of a Metagenomic Urethanase and Its Engineering Towards Enhanced Hydrolysis Profiles
Authors: Bayer Thomas , Palm Gottfried J. , Berndt Leona , Meinert Hannes , Branson Yannick , Schmidt Louis , Cziegler Clemens , Somvilla Ina , Zurr Celine , Graf Leonie G. , Janke Una , Badenhorst Christoffel P. S. , König Stefanie , Delcea Mihaela , Garscha Ulrike , Wei Ren , Lammers Michael , Bornscheuer Uwe T. 
Published: July 2024

AbstractWhile plastics like polyethylene terephthalate can already be degraded efficiently by the activity of hydrolases, other synthetic polymers like polyurethanes (PUs) and polyamides (PAs) largely resist biodegradation. In this study, we solved the first crystal structure of the metagenomic urethanase UMG‐SP‐1, identified highly flexible loop regions to comprise active site residues, and targeted a total of 20 potential hot spots by site‐saturation mutagenesis. Engineering campaigns yielded variants with single mutations, exhibiting almost 3‐ and 8‐fold improved activity against highly stable N‐aryl urethane and amide bonds, respectively. Furthermore, we demonstrated the release of the corresponding monomers from a thermoplastic polyester‐PU and a PA (nylon 6) by the activity of a single, metagenome‐derived urethanase after short incubation times. Thereby, we expanded the hydrolysis profile of UMG‐SP‐1 beyond the reported low‐molecular weight carbamates. Together, these findings promise advanced strategies for the bio‐based degradation and recycling of plastic materials and waste, aiding efforts to establish a circular economy for synthetic polymers.
A Tetracarbene Iron(II) Complex with a Long‐lived Triplet Metal‐to‐Ligand Charge Transfer State due to a Triplet‐Triplet Barrier
Authors: Reuter Thomas , Zorn Dimitri , Naumann Robert , Klett Jan , Förster Christoph , Heinze Katja 
Published: July 2024

AbstractMixed N‐heterocyclic carbene (NHC) / pyridyl iron(II) complexes have attracted a great deal of attention recently because of their potential as photocatalysts and light sensitizers made from Earth‐abundant elements. The most decisive challenge for their successful implementation is the lifetime of the lowest triplet metal‐to‐ligand charge transfer state (3MLCT), which typically decays via a triplet metal‐centered (3MC) state back to the ground state. We reveal by variable‐temperature ultrafast transient absorption spectroscopy that the tripodal iron(II) bis(pyridine) complex isomers trans‐ and cis‐[Fe(pdmi)2]2+ with four NHC donors show 3MLCT→3MC population transfers with very different barriers and rationalize this by computational means. While trans‐[Fe(pdmi)2]2+ possesses an unobservable activation barrier, the cis isomer exhibits a barrier of 492 cm−1, which leads to a nanosecond 3MLCT lifetime at 77 K. The kinetic and quantum chemical data were analyzed in the context of semi‐classical Marcus theory revealing a high reorganization energy and small electronic coupling between the two triplet states. This highlights the importance of detailed structural control and kinetic knowledge for the rational design of photosensitizers from first row transition metals such as iron.
In Situ Analysis of Interfacial Morphological and Chemical Evolution in All‐Solid‐State Lithium‐Metal Batteries
Authors: Zhang Xu‐Sheng , Wan Jing , Shen Zhen‐Zhen , Lang Shuang‐Yan , Xin Sen , Wen Rui , Guo Yu‐Guo , Wan Li‐Jun 
Published: July 2024

AbstractIn situ analysis of Li plating/stripping processes and evolution of solid electrolyte interphase (SEI) are critical for optimizing all‐solid‐state Li metal batteries (ASSLMB). However, the buried solid‐solid interfaces present a challenge for detection which preclude the employment of multiple analysis techniques. Herein, by employing complementary in situ characterizations, morphological/chemical evolution, Li plating/stripping dynamics and SEI dynamics were directly detected. As a mixed ionic‐electronic conducting interface, Li|Li10GeP2S12 (LGPS) performed distinct interfacial morphological/chemical evolution and dynamics from ionic‐conducting/electronic‐isolating interface like Li|Li3PS4 (LPS), which were revealed by combination of in situ atomic force microscopy and in situ X‐ray photoelectron spectroscopy. Though Li plating speed in LGPS was higher than LPS, speed of SSE decomposition was similar and ~85 % interfacial SSE turned into SEI during plating and remained unchanged in stripping. To leverage strengths of different SSEs, an LPS‐LGPS‐LPS sandwich electrolyte was developed, demonstrating enhanced ionic conductivity and improved interfacial stability with less SSE decomposition (25 %). Using in situ Kelvin probe force microscopy, Li‐ion behavior at interface between different SSEs was effectively visualized, uncovering distribution of Li ions at LGPS|LPS interface under different potentials.
Experimental investigation of dairy biogas as fuel for a molten carbonate fuel cell
Authors: Milewski Jarosław , Michalska Karina , Kacprzak Anna 
Published: July 2024

AbstractThis article presents the results of an experimental study evaluating the performance of a molten carbonate fuel cell (MCFC) using dairy biogas as a fuel source. Dairy biogas, a renewable byproduct of dairy farming, was compared with hydrogen in terms of operational efficiency. The investigation focuses on the performance parameters and efficiency metrics of MCFCs when powered by dairy biogas, relative to natural gas and hydrogen. The results demonstrate that while dairy biogas can power MCFCs, its efficiency and fuel utilization rates are lower than those of conventional fuels. This study contributes to an understanding of alternative, sustainable fuel sources for MCFC operations. During the study, the performance parameters of dairy biogas were compared with hydrogen, which served as a benchmark fuel. It was observed that in comparison with natural gas, commonly used as a fuel, dairy biogas showed lower efficiency rates and reduced fuel‐utilization factors. This suggests that although dairy biogas can be used as a fuel source for MCFCs, its effectiveness might not be on par with traditional fuels like natural gas.
Motivation and learning psychology of teachers in language translation learning
Authors: Aksu Suleyman 
Published: July 2024

AbstractThis study aimed to understand pre‐service teachers’ motivations and learning psychologies in language teaching. The study used a phenomenology pattern, a qualitative research method, to gather pre‐service teachers’ views about language teaching, motivations and learning psychologies during translation activities. The study group consisted of 42 language department undergraduate students from the Education Faculty of a private university in TRNC in the 2022–2023 academic year, selected using the criterion sampling method. Data were collected through semi‐structured interviews. The NVIVO‐R1 qualitative data analysis program was used for categorisation and coding in the data analysis. The findings revealed that translation studies motivate and improve comprehension–explanation skills, increasing academic success, positively impacting learning psychology, and reducing anxiety. Effective teaching methods and motivation were influential factors in teaching language to pre‐service teachers. The study also found that reinforcers, intrinsic motivation, exemplification–association, measurable goals, teaching environment, teaching method and applied learning significantly affect the language teaching process and academic success. It was concluded that pre‐service teachers are attentive to their professional careers and motivations. Additionally, the study revealed that learning the historical development of the language and different types of translation positively contributed to the motivation levels, academic achievement and language learning knowledge and skills of pre‐service teachers. Regarding grammar teaching, pre‐service teachers highlighted the importance of focusing on the social and interactional dimensions of language in addition to grammar learning. They expressed that language learning anxiety stemmed from insufficient practice. Finally, the study suggested that the language‐learning problems of pre‐service teachers could be attributed to the neglect of translation studies.
Circular economy: A review of review articles
Authors: Hossain Mokter , Park Sukyung , Suchek Nathalia , Pansera Mario 
Published: July 2024

AbstractThe circular economy (CE) has emerged as a focal point in discussions surrounding sustainable development, industrial production, and resource efficiency. While it has garnered attention as a ground‐breaking paradigm with the potential to harmonize economic, societal, and environmental dynamics, divergent perspectives and critical inquiries have surfaced. This paper delves into the interdisciplinary literature on CE, exploring the interpretative flexibility inherent in its conceptualization. Acknowledging the diverse range of strategies associated with the CE, the study contends with the potential risks of its misappropriation, emphasizing the importance of understanding its systemic socio‐ecological implications. With an umbrella review approach, rarely applied in social sciences, the study navigates through 167 review articles, unveiling thematic trends and identifying gaps within the existing literature. By scrutinizing the techno‐managerial dominance within CE discussions, the paper calls attention to the overshadowing of numerous critical issues. It highlights the importance of systematic attention to CE's social aspects, essential to provide insights into how policies, strategies, and actions affect the society, as well as the emerging discussion on the alternative social transformative paradigm. The paper concludes with a three‐stage study design: a meticulous review of 167 articles, a thematic analysis revealing trends, and a reflective exploration of potential research avenues. This review serves as a comprehensive guide for scholars and practitioners for a holistic understanding of CE and encouraging contributions to address identified gaps and fostering the evolution of CE literature.
Person‐centred research supervision: Facilitating encounter with researchers and enquiry
Authors: Hauser Holt J. S. 
Published: July 2024

AbstractAimsDrawing upon Schmid's invitation to develop congruence in practice, training and research within the person‐centred approach, this study presents a theoretical model for counselling and psychotherapy research supervision. This is contextualised through the author's early‐career academic experiences, particularly a lack of training, literature or guidance in pedagogical frameworks underpinning research supervision for psychotherapists.MethodThis study conceptualises research supervision using person‐centred theories, in line with critical realist methodologies. Two case studies are presented in which person‐centred research supervision model is implemented.FindingsThemes emerged that corroborated the person‐centred research supervision model proposed and its underpinning literature, which had growthful and challenging dimensions. This highlighted the aspects of vulnerability in supervisory relationships, abdicating expertise as research supervisor and integral congruence between researcher and research project.ConclusionThese findings indicate there is merit in further research being conducted evaluating this person‐centred research supervision model, in order to further develop or challenge its efficacy in practice.
Attenuation of Quorum Sensing Mediated Virulence Factors and Biofilm Formation in Pseudomonas Aeruginosa PAO1 by Substituted Chalcones and Flavonols
Authors: Benny Anjitha Theres , Thamim Masthan , Easwaran Nalini , Gothandam Kodiveri Muthukaliannan , Thirumoorthy Krishnan , Radhakrishnan Ethiraj Kannatt 
Published: July 2024

AbstractFlavonoids epitomize structural scaffolds in many biologically active synthetic and natural compounds. They showcase a diverse spectrum of biological activities including anticancer, antidiabetic, antituberculosis, antimalarial, and antibiofilm activities. The antibiofilm activity of a series of new chalcones and flavonols against clinically significant Pseudomonas aeruginosa PAO1 strain was studied. Antivirulence activities were screened by analysing the effect of compounds on the production of virulence factors like pyocyanin, LasA protease, cell surface hydrophobicity, and rhamnolipid. The best ligands towards the quorum sensing proteins LasR, RhlR, and PqsR were recognised using a molecular docking study. The gene expression in P. aeruginosa after treatment with test compounds was evaluated on quorum sensing genes including rhlA, lasB, and pqsE. The antibiofilm potential of chalcones and flavonols was confirmed by the efficient reduction in the production of virulence factors and downregulation of gene expression.
New Clerodane Diterpenoids from Tinospora Capillipes with Antibacterial and Anti‐Inflammatory Properties
Authors: Song Yuan‐Ze , Yuan Chao , Li Wen‐Juan , Song Qing‐Jiang , Zhu Wen‐Hao , Zhang Juan 
Published: July 2024

AbstractFour new clerodane diterpenoids, namely tinocapills A–D (1–4), and one known analogue (5) were isolated from the roots of Tinospora capillipes in the present study. The structures of these new compounds, including their absolute configurations, were determined through a combination of detailed spectroscopic analysis and theoretical statistical approaches, including electronic circular dichroism (ECD) analyses and quantum mechanical (QM)‐NMR methods. Additionally, the stereostructure of 5 was confirmed via X‐ray diffraction analysis. Furthermore, all these isolates were evaluated for their antibacterial and anti‐inflammatory activities. Compounds 1, 2 and 5 demonstrated antibacterial activity against methicillin‐resistant Staphylococcus aureus (MRSA) with MICs ranging from 4–64 μg/mL, and compounds 3 and 4 exhibited potential anti‐inflammatory effects by suppressing LPS‐induced TNF‐α and NO releases in RAW264.7 cells.
JRK binds satellite III DNA and is necessary for the heat shock response
Authors: Waldron Rosalie , Rodriguez Maria de los Angeles Becerra , Williams John M. , Ning Zhenfei , Ahmed Abrar , Lindsay Andrew , Moore Tom 
Published: July 2024

AbstractJRK is a DNA‐binding protein of the pogo superfamily of transposons, which includes the well‐known centromere binding protein B (CENP‐B). Jrk null mice exhibit epilepsy, and growth and reproductive disorders, consistent with its relatively high expression in the brain and reproductive tissues. Human JRK DNA variants and gene expression levels are implicated in cancers and neuropsychiatric disorders. JRK protein modulates β‐catenin–TCF activity but little is known of its cellular functions. Based on its homology to CENP‐B, we determined whether JRK binds centromeric or other satellite DNAs. We show that human JRK binds satellite III DNA, which is abundant at the chromosome 9q12 juxtacentromeric region and on Yq12, both sites of nuclear stress body assembly. Human JRK‐GFP overexpressed in HeLa cells strongly localises to 9q12. Using an anti‐JRK antiserum we show that endogenous JRK co‐localises with a subset of centromeres in non‐stressed cells, and with heat shock factor 1 following heat shock. Knockdown of JRK in HeLa cells proportionately reduces heat shock protein gene expression in heat‐shocked cells. A role for JRK in regulating the heat shock response is consistent with the mouse Jrk null phenotype and suggests that human JRK may act as a modifier of diseases with a cellular stress component.
Green Molecular Reactor Boosting the Photocatalytic Aerobic Oxidation of Sulfides in Clean Solvent
Authors: Chen Jia‐Qi , Sun Wei‐Yin , Zhao Yue 
Published: July 2024

AbstractThe synthesis of sulfoxides has long attracted considerable interest due to their pivotal role in organic synthesis, pharmaceutics and environmental protection. Oxidation of the corresponding sulfides is recognized as the most effective strategy. Traditional oxidation methods, however, fall short of the growing demands of green chemistry. Photocatalytic aerobic oxidation has thus garnered attention, employing the greenest and most sustainable oxidants—oxygen or air—and sunlight as the energy source. Nevertheless, these reactions are typically conducted in potentially pollutive organic solvents rather than in the greenest solvent, water. To facilitate this organic transformation in aqueous phase, molecular reactors that can encapsulate reactants within their confined pores and facilitate photocatalytic reactions have been developed recently. This Concept article summarizes the development of molecular reactors for the photocatalytic oxidation of sulfides and provides perspectives for the design and construction of effective photocatalytic molecular reactors.
Pickering Emulsions in Catalytic Processes
Authors: Guzmán Eduardo 
Published: July 2024

AbstractPickering emulsions, which are emulsions stabilized by solid particles adsorbed at the interface between two immiscible liquids, provide a highly versatile platform for catalytic processes and offer distinct advantages over conventional systems. These emulsions combine the benefits of traditional biphasic catalysis with enhanced contact between reactive species due to their large interfacial area, which contribute to their high catalytic efficiency. Furthermore, Pickering emulsions offer significant advantages in catalytic processes, including improved extraction efficiency, a wider range of operational variables, the possibility of continuous operation, and the ease of recovery of the emulsifier and/or catalyst. Moreover, through strategic selection and design of solid particles, researchers can tailor interfacial properties to optimize catalytic performance, selectivity and stability. This comprehensive review discusses recent breakthroughs in Pickering emulsion research and their applications in catalysis, examining how Pickering emulsions have transformed catalytic methodologies. By discussing the latest developments, this review demonstrates the potential of Pickering emulsions as a catalyst platform and highlights their role in advancing sustainable and efficient catalytic processes.
Response of sod webworm Chrysoteuchia topiaria Zeller (Lepidoptera: Crambidae) to endophyte infection and mycotoxin profiles of cool‐season turfgrass species grown for seed in Oregon
Authors: Kaur Navneet , Rivedal Hannah M. , Intasin Julaluck , Verhoeven Elizabeth C. , Di Yanming , Anderson Nicole P. , Dorman Seth J. , Duringer Jennifer M. 
Published: July 2024

AbstractThe subterranean sod webworm, also known as cranberry girdler (Chrysoteuchia topiaria), is one of the most damaging insect pests in cool‐season grass grown for seed crops in Oregon. Chemical control options are limited and require irrigation or rainfall for adequate insecticide incorporation to control C. topiaria larvae. Epichloë endophytes associated with cool‐season turfgrass species and their mycotoxin profiles are well‐documented in offering plant protection against invertebrates; these fungi may offer sustainable pest management tools. Our objectives were to characterize endophyte‐mediated resistance to C. topiaria in 19 commercially available cultivars of tall fescue, perennial ryegrass, and fine fescue grown for seed in Oregon. Endophyte status (presence and viability) of fungal endophytes and their mycotoxin profiles were measured using polymerase chain reaction, and liquid chromatography‐tandem mass spectrometry, respectively. No‐choice assays were conducted in the laboratory to measure the impact of endophyte status on C. topiaria larvae in two separate no‐choice experiments. Our results suggested that increased mortality of C. topiaria larvae (R2 = 0.8526, Experiment 1; R2 = 0.6628, Experiment 2) in tall fescue cultivars was most influenced by total peramine and ergot alkaloid, and total ergoline concentrations in Experiment 1 and 2, respectively. However, no significant effect on insect mortality was found in the perennial ryegrass and fine fescue cultivars included in this study. Overall, these findings suggest a viable grass–endophyte association can be utilized as a sustainable alternative to foliar insecticides for C. topiaria management in tall fescue seed crops.
Tweezer Dyads for H‐Bond Assisted Cooperativity in Tandem Uncaging Systems
Authors: Klausen Maxime , Dubois Victor , Picard Sébastien , Cueto Diaz Eduardo , Daniel Jonathan , Verlhac Jean‐Baptiste , Blanchard‐Desce Mireille 
Published: July 2024

Abstract“Tandem” uncaging systems, in which a photolabile protecting group (PPG) is sensitized by an energy‐harvesting antenna, may increase the photosensitivity of PPGs by several orders of magnitude for two‐photon (2P) photorelease. Yet, they remain poorly accessible because of arduous multi‐step synthesis. In this work, we design efficient tandem uncaging systems by (i) using a convenient assembly of the building blocks relying on click chemistry, (ii) introducing H‐bonding induced proximity thus facilitating (iii) photoinduced electron transfer (PeT) as a cooperative mechanism. A strong two‐photon absorber electron‐donating quadrupolar antenna and various electron‐accepting PPGs (mDEAC, MNI or MDNI) were clicked stepwise onto a “tweezer‐shaped” pyrido‐2,6‐dicarboxylate platform whose H‐bonding and π‐stacking abilities were exploited to keep the antenna and the PPGs in close proximity. The different electron‐accepting ability of the PPGs led to dyads with wildly different behaviors. Whilst the MDNI and MNI dyads showed poor dark stability or no photo‐uncaging ability due to their too high electron‐accepting character, the mDEAC dyad benefited from optimum redox potentials to promote PeT and slow down charge recombination, resulting in enhanced uncaging quantum yield (Φu=0.38) compared to mDEAC (Φu=0.014). This unique combination resulted in large 2P photo‐sensitivity in the near‐infrared window (240 GM at 710 nm).
Epidemiology, treatment patterns, and clinical outcomes in de novo oligometastatic hormone‐sensitive prostate cancer
Authors: Gong Jun , Janes Jessica L. , Trustram Eve Claire , Stock Shannon , Waller Justin , De Hoedt Amanda M. , Kim Jeri , Ghate Sameer R. , Shui Irene M. , Freedland Stephen J. 
Published: July 2024

AbstractBackgroundThis study was conducted to better characterize the epidemiology, clinical outcomes, and current treatment patterns of de novo oligometastatic hormone‐sensitive prostate cancer (omHSPC) in the United States Veterans Affairs Health Care System.MethodsIn this observational retrospective cohort study, 400 de novo metastatic hormone‐sensitive PC (mHSPC) patients diagnosed from January 2015 to December 2020 (follow‐up through December 2021) were randomly selected. omHSPC was defined as five or less total metastases (excluding liver) by conventional imaging. Kaplan–Meier methods estimated overall survival (OS) and castration‐resistant prostate cancer (CRPC)‐free survival from mHSPC diagnosis date and a log‐rank test compared these outcomes by oligometastatic status.ResultsTwenty percent (79 of 400) of de novo mHSPC patients were oligometastatic. Most baseline characteristics were similar by oligometastatic status; however, men with non‐omHSPC had higher median prostate‐specific antigen at diagnosis (151.7) than omHSPC (44.1). First‐line (1L) novel hormonal therapy was similar between groups (20%); 1L chemotherapy was lower in omHSPC (5%) versus non‐omHSPC (14%). More omHSPC patients received metastasis‐directed therapy/prostate radiation therapy (14%) versus non‐omHSPC (2%). Median OS and CRPC‐free survival (in months) were higher in omHSPC versus non‐omHSPC (44.4; 95% confidence interval [CI], 33.9–not estimated vs. 26.2; 95% CI, 20.5–32.5, p = .0089 and 27.6; 95% CI, 22.1–37.2 vs. 15.3; 95% CI, 12.8–17.9, p = .0049), respectively.ConclusionsApproximately 20% of de novo mHSPC were oligometastatic, and OS was significantly longer in omHSPC versus non‐omHSPC. Although potentially “curative” therapy use was higher in omHSPC versus non‐omHSPC, the percentages were still relatively low. Future studies are warranted given potential for prolonged responses with multimodal therapy inclusive of systemic and local therapies.