bluuebunny/crossref_metadata_2025_split huggingface dataset:
Remote Hydrogen Bonding between Ligand and Substrate Accelerates C–H Bond Activation and Enables Switchable Site Selectivity
Authors: De Pinaki Bhusan , Okamoto Kazuhiro , Sekar Jayakumar , Asako Sobi , Ilies Laurean 
Published: January 2025

AbstractTransition‐metal‐catalyzed selective and efficient activation of an inert C−H bond in an organic substrate is of importance for the development of streamlined synthetic methodologies. An attractive approach is the design of a metal catalyst capable of recognizing an organic substrate through noncovalent interactions to control reactivity and selectivity. We report here a spirobipyridine ligand that bears a hydroxy group which recognizes pyridine and quinoline substrates through hydrogen bonding, and in combination with an iridium catalyst enables site‐selective C−H borylation. The site selectivity can be switched by simply changing the position of the hydroxy group on the ligand. The catalyst also accelerates the reactions, overrides steric bias, and selectively recognizes a pyridine substrate in the presence of other hydrogen bond acceptors. These features are reminiscent of enzymatic catalysis and suggest that judicious design of the recognition group on the ligand can become a general strategy to selectively and efficiently functionalize organic substrates.
Kontrollierte Einführung von sp3‐Quantendefekten in Fluoreszierenden Kohlenstoffnanoröhren mittels Mechanochemie
Authors: Sander Miriam , Metternich Justus T. , Dippner Pascal , Kruss Sebastian , Borchardt Lars 
Published: January 2025

AbstractEine präzise Kontrolle über niederdimensionale Materialien birgt ein enormes Potenzial für deren Anwendungen in Sensorik, Bildgebung und Informationsverarbeitung. Die kontrollierte Einführung von sp3‐Quantendefekten (Farbzentren) kann genutzt werden, um die optoelektronischen Eigenschaften von einwandigen Kohlenstoffnanoröhren (SWCNTs) im Bereich der Gewebetransparenz (>800 nm) und im Telekommunikationsfenster einzustellen. Eine unkontrollierte Funktionalisierung von SWCNTs mit Defekten führt jedoch zu einem Verlust der NIR‐Fluoreszenz. Hier verwenden wir Mechanochemie mit Aryldiazoniumsalzen, um Quantendefekte in SWCNTs zu erzeugen. Die Reaktion verläuft innerhalb von 5 Minuten ohne Lösungsmittel oder Belichtung und kann durch Variation des mechanochemischen Energieeintrags gesteuert werden. Durch die Arbeit unter Festkörperbedingungen stellt diese Methode einen alternativen synthetischen Ansatz dar und repräsentiert einen entscheidenden Schritt zur Kontrolle der Photophysik von SWCNTs.
Heterologous Biosynthesis of Terpenoids in Saccharomyces cerevisiae
Authors: Wang Junyang , Ji Xu , Yi Renhe , Li Dengbin , Shen Xiaolin , Liu Zihe , Xia Yaying , Shi Shuobo 
Published: January 2025

ABSTRACTTerpenoids are widely distributed in nature and have various applications in healthcare products, pharmaceuticals, and fragrances. Despite the significant potential that terpenoids possess, traditional production methods, such as plant extraction and chemical synthesis, face challenges in meeting current market demand. With the advancement of synthetic biology and metabolic engineering, it becomes feasible to construct efficient microbial cell factories for large‐scale production of terpenoids. This article primarily centers on the heterologous expression of terpenoids in Saccharomyces cerevisiae, detailing the expression of terpenoid biosynthesis pathways through the utilization of cellular microcompartments, strategies for the efficient expression of key P450 enzymes in the synthesis pathway, and the regulation and optimization of host metabolism to enhance flux to terpenoids synthesis. Additionally, we analyze current challenges and propose solutions to further refine yeast chassis for more effective terpenoids production.
Two New Terpenoids From the Leaves and Twigs of Croton cnidophyllus and Their Anti‐Alzheimer's Disease Activities
Authors: Guo Le‐Le , Lu Yu‐Bin , Yang Mi‐Na , Li Hui‐Jie , Liu Chun‐Min , Ye Li‐Jia , Wang Xin , Yang Yi‐Nan , Zhang Miao , Zhang Zhan‐Xin , Fei Dong‐Qing 
Published: January 2025

ABSTRACTA new oleanane‐type triterpenoid, 3β‐acetyl‐15α‐hydroxy‐oleanane‐13β,28‐olide (1), and a new clerodane furanoditerpenoid, cnidophyllin A (2), together with 11 known compounds (3–13) were isolated and identified from the 95% ethanol extract of the leaves and twigs of Croton cnidophyllus. Except for compounds 3 and 7, all other compounds were isolated for the first time from C. cnidophyllus. The structures of the new compounds were ascertained through a comprehensive application of spectroscopic techniques, including both one‐ and two‐dimensional nuclear magnetic resonance, infrared, and high‐resolution electrospray ionization mass spectrometry, while their absolute configurations were validated either through single‐crystal X‐ray diffraction analysis or via electronic circular dichroism calculations. Meanwhile, the single‐crystal X‐ray diffraction data of 8 has been reported for the first time. Additionally, the in vivo anti‐Alzheimer's disease (AD) activities of compounds 3–13 were assessed using the Caenorhabditis elegans AD pathology model. Among all the isolated compounds, compounds 4 and 7–13 significantly delayed the paralysis of the worms with AD‐like symptoms, which may be potential candidates for anti‐AD drugs.
Unusual Presentation of a Rare Disease: A Case Report of Fungal Necrotizing Otitis Media and Mastoiditis
Authors: Mousavi Mohammadi Ermia , Rajati Mohsen , Zarrinfar Hossein 
Published: January 2025

ABSTRACTAcute necrotizing otitis media is a severe middle ear infection which causes necrosis of the tympanic cavity. A 54‐year‐old female was presented who suffered from diabetes mellitus and end‐stage renal disease presenting with severe otalgia, initially thought to be necrotizing otitis externa. She rapidly progressed to total necrosis of the tympanic membrane. Further assessments confirmed a fungal disease caused by Candida tropicalis and Aspergillus flavus. Immediate antifungal therapy with amphotericin B and subsequent radical mastoidectomy managed to control the disease with no sign of necrosis after 3 months. Early diagnosis, aggressive systemic antifungal treatment, and surgical debridement are vital components for successful management of such cases.
Semi‐empirical model of brine evaporation rate in lithium processing
Authors: Aleman‐Sanchez David , Bertin Diego , Piña Juliana 
Published: January 2025

AbstractLithium is a critical element in the transition to cleaner energy and is produced primarily in the Lithium Triangle (Argentina, Chile, and Bolivia) through the evaporative process. This process involves brine concentration through solar and wind evaporation in large ponds, where the salts are concentrated and eventually reach their solubility product and crystallize. Dynamic brine evaporation is crucial to designing and optimizing evaporation ponds, where predicting the evaporation rate is essential. In this work, the evaporation of simple synthetic brines composed individually of NaCl, KCl, or MgCl2 was experimentally studied in an evaporation chamber that allows monitoring of air temperature, humidity, brine temperature, and air velocity. The results show that brines with the same initial ionic strength but of different nature have similar evaporation rates under the same evaporation conditions. The evaporation rate decreases as the ionic strength increases. During evaporation, the ionic strength and brine density increase due to the concentration of the salts but remain constant when crystallization begins. A semi‐empirical model was developed to correlate the evaporation rate of brines with their density, allowing this rate to be estimated with an error of less than 5% using easily measurable data. The model can be applied to natural brines from the lithium industry rich in NaCl, KCl, and MgCl2.
Study of solids flow in the dipleg of the primary cyclone of a 0.6 m diameter fluidized bed of a large group A powder
Authors: Godin Jessica , Sanchez Careaga Francisco , Pjontek Dominic , Briens Cedric , McMillan Jennifer 
Published: January 2025

AbstractInternal cyclones use diplegs to recycle solids to the dense fluidized bed in most industrial fluidized beds. Poor dipleg operation can greatly increase particle losses from cyclones. Experiments with a 0.6 m diameter column and large group A particles showed that at low gas velocities in the fluidized bed, gas slugs rose through the dipleg, causing the emission of solids pulses; this issue was resolved by adding an elbow termination at the bottom of the dipleg. At high gas velocities, the dipleg backed up. A new model showed that dipleg backup resulted from large pressure fluctuations in the fluidized bed near the bottom of the dipleg. Momentarily, the local bed pressure became higher than the pressure in the dipleg, and fluidized solids flowed from the bed into the dipleg. Consequently, the dipleg was modified: the dipleg diameter and height were increased, and aeration and an elbow termination were added to the dipleg.
Synthesis and Characterization of NiWS2/MWCNT Nanohybrids
Authors: Olivo‐Toledo J. , Rivera‐Muñoz E. M. , Alonso M. P. , Alonso‐Nuñez G. , Huirache‐Acuña R. 
Published: January 2025

AbstractThe present research work mainly focuses on the synthesis and characterization of NiWS2/MWCNT‐f nanohybrids. Multi‐walled carbon nanotubes MWCNT‐r were previously purified with HCl to obtain MWCNT‐p, then were treated with an acid mixture of HNO3 : H2SO4 (6 M) at 1 : 3 v/v to generate functionalization on the surface with oxygen as hydroxylic and carbonyl groups to obtain MWCNT‐f. The synthesis of the nanohybrids was carried out by the sequential incipient impregnation method using ammonium thiotungstate (ATT) and nickel chloride as metal precursors. The effect of nickel was evaluated by modifying its atomic ratio with respect to tungsten with values of R= (Ni/Ni+W) equal to 0.3 and 0.5. Subsequently, the nanohybrids were obtained by thermal decomposition in argon atmosphere and an activation method using H2/H2S. Once the nanohybrids were obtained, their structural properties were characterized by Raman spectroscopy, BET, HRTEM, XRD, and TGA analyses. The formation of the nanohybrids was achieved obtaining the active phase WS2 and NiWS supported on MWCNT‐f, which was corroborated by HRTEM and XPS spectroscopy techniques. These materials are important candidates as catalysts in the hydrodesulfurization reactions.
The Rise of Zinc||Chalcogen Batteries with Conversion Mechanism
Authors: Zeng Zecong , Ran Bingjie , Cui Mangwei , Liu Fusheng , Huang Yan 
Published: January 2025

AbstractZinc||Chalcogen batteries (ZCBs) (S, Se, Te and interchalcogens) with conversion mechanism, involve complex chemical reactions and differ from conventional low‐capacity aqueous zinc ion batteries (AZIBs) that rely on ion insertion and extraction for energy storage. Specifically, ZCBs combine the advantages of AZIBs and conversion reactions, exhibiting extremely high capacity, cost‐effectiveness, safety, and environmental friendliness. These benefits make them one of the most promising candidates for next‐generation large‐scale application batteries. In this mini‐review, we summarize the conversion mechanisms, existing challenges, and corresponding optimization strategies of ZCBs. Finally, we offer our perspectives on future advancements.
Network Analysis and Psychometric Properties of the Parent Version of the Screen for Child Anxiety–Related Emotional Disorders in Arabic Children (4–7 Years Old)
Authors: Ayasrah Mohammad Nayef , Al‐Rousan Ayoub Hamdan , Khasawneh Mohamad Ahmad Saleem 
Published: January 2025

ABSTRACTIntroductionThe current paper aimed to translate psychometric properties and network structure of the Screen for Child Anxiety–Related Emotional Disorders (SCARED‐P) in children aged 4 to 7 years in Arabic‐speaking countries.MethodIn this study, 646 Arabic‐speaking parents of children aged 4 to 7 participated. Confirmatory factor analysis (CFA) was used to confirm the five‐factor structure of the SCARED‐P scale. Indices of reliability, test–retest reliability, convergent validity and measurement invariance were utilized. Additionally, a network perspective, which included exploratory graph analysis (EGA), was employed.ResultsThe results of the present study showed that the five‐factor model of the SCARED‐P scale was confirmed with good fit indices (χ2/df = 3.27, RMSEA = 0.059, CFI = 0.92). The scale demonstrated good internal consistency (total scale: α = 0.946, subscales: α = 0.68–0.96). Test–retest reliability over 2 weeks was satisfactory (ICC above 0.70). The convergent validity of the scale was also confirmed, as SCARED‐P scores had a significant correlation with the emotional problems subscale of the SDQ (r = 0.61, p < 0.001). The emotional subscale showed the highest correlation with the generalized anxiety component (r = 0.68, p < 0.001). Additionally, the network analysis supported the five‐factor model of the SCARED‐P scale.ConclusionThe SCARED‐P scale demonstrated excellent psychometric properties in Arabic‐speaking children aged 4 to 7, with a stable five‐factor structure and strong convergent validity. It suggested that this tool can be a valuable instrument for the early identification of anxiety disorders in Arab countries. This study emphasizes the importance of culturally adapted screening tools in detecting anxiety symptoms and providing opportunities for early interventions.
Integration of multi‐omics approaches reveals candidate genes for drought stress in St. Augustinegrass (Stenotaphrum secundatum)
Authors: Weldt Carolina E. , Rockstad Greta , Gesteira Gabriel de Siqueira , Gouveia Beatriz T. , Austin Robert E. , Yu Xingwang , Milla‐Lewis Susana R. 
Published: January 2025

AbstractThere is growing demand across the turfgrass industry for turfgrasses that require minimal watering. St. Augustinegrass [Stenotaphrum secundatum (Walt.) Kuntze], a warm‐season turfgrass favored in the southeastern United States for its shade tolerance and vigorous stoloniferous growth, falls short in drought resistance. Integrating genomic and conventional breeding methodologies could accelerate the introduction of cultivars that thrive with less water. In this study, a population derived from the cross of breeding lines XSA10098 and XSA10127 was evaluated for drought resistance in field trials, where percent green cover and normalized difference vegetation index were collected by unmanned aerial vehicle‐based phenotyping. A multiple quantitative trait loci (QTL) mapping approach identified 22 QTL, with overlapping regions on linkage groups 1, 2, 4, and 9 between this and previous studies. In addition, a detailed transcriptomic analysis on the roots of two St. Augustinegrass genotypes with contrasting drought responses revealed 1642 and 2669 differentially expressed genes (DEGs) in the drought‐tolerant and drought‐sensitive genotypes, respectively. Gene Ontology and Kyoto Encyclopedia of Genes and Genomes classification showed different pathways adopted by the two genotypes in response to drought stress. Moreover, integration of QTL mapping and transcriptomic analyses identified five DEGs co‐localized in overlapping QTL regions, which exhibit great value to potentially serve as targets to facilitate marker‐assisted selection. The findings in this study contribute to a deeper understanding of the genetic basis of drought tolerance in St. Augustinegrass, facilitating the development of more robust breeding strategies for enhancing drought resilience in this important turfgrass species.
Pathogenic variants of TUBB8 cause oocyte spindle defects by disrupting with EB1/CAKP5 interactions and potential treatment targeting microtubule acetylation through HDAC6 inhibition
Authors: Luo Hui , Chen Jianhua , Li Cao , Wu Tian , Yin Siyue , Yang Guangping , Wang Yipin , Guo Zhihan , Hu Saifei , He Yanni , Wang Yingnan , Chen Yao , Su Youqiang , Miao Congxiu , Qian Yun , Feng Ruizhi 
Published: January 2025

AbstractBackgroundNumerous pathogenic variants causing human oocyte maturation arrest have been reported on the primate‐specific TUBB8 gene. The main etiology is the dramatic reduction of tubulin α/β dimer, but still large numbers of variants remain unexplained.MethodsUsing microinjection mRNA and genome engineering to reintroduce the conserved pathogenic missense variants into oocytes or in generating TUBB8 variant knock‐in mouse models, we investigated that the human deleterious variants alter microtubule nucleation and spindle assembly during meiosis. Live‐cell imaging and immunofluorescence were utilised to track the dynamic expression of microtubule plus end‐tracking proteins in vivo and analysed microtubule nucleation or spindle assembly in vitro, respectively. Immunoprecipitation‐mass spectrometry and ultramicro‐quantitative proteomics were performed to identify the differential abundance proteins and affected interactome of TUBB8 protein.ResultsFirst, we observed a significant depletion of the EB1 signal upon microinjection of mutated TUBB8 mRNA (including R262Q, M300I, and D417N missense variants), indicating disruption of microtubule nucleation caused by these introduced TUBB8 missense variants. Mechanically, we demonstrated that the in vivo TUBB8‐D417N missense variant diminished the affinity of EB1 and microtubules. It also harmed the interaction between microtubules and CKAP5/TACC3, which are crucial for initiating microtubule nucleation. Attenuated Ran‐GTP pathway was also found in TUBB8‐D417N oocytes, leading to disrupted spindle assembly. Stable microtubule was largely abolished on the spindle of TUBB8‐D417N oocytes, reflected by reduced tubulin acetylation and accumulated HDAC6. More importantly, selective inhibition of HDAC6 by culturing TUBB8‐D417N oocytes with Tubacin or Tubastatin A showed morphologically normal spindle and drastically recovered polar‐body extrusion rate. These rescue results shed light on the strategy to treat meiotic defects in a certain group of TUBB8 mutated patients.ConclusionOur study provides a comprehensive mechanism elucidating how TUBB8 missense variants cause oocyte maturation arrest and offers new therapeutic avenues for treating female infertility in the clinic.
The effectiveness of harvest for limiting wildlife disease: Insights from 20 years of chronic wasting disease in Wyoming
Authors: Moss Wynne E. , Binfet Justin , Hall L. Embere , Allen Samantha E. , Edwards William H. , Jennings‐Gaines Jessica E. , Cross Paul C. 
Published: January 2025

AbstractEffective, practical options for managing disease in wildlife populations are limited, especially after diseases become established. Removal strategies (e.g., hunting or culling) are used to control wildlife diseases across a wide range of systems, despite conflicting evidence of their effectiveness. This is especially true for chronic wasting disease (CWD), an untreatable, fatal prion disease threatening cervid populations across multiple countries, for which recreational harvest has been suggested as an important disease control strategy. Using observational data to evaluate whether harvest effectively limits CWD prevalence has been difficult because statistical relationships between harvest and disease prevalence can arise from a causal effect of harvest (i.e., harvest's impacts on prevalence via changes in transmission or demographic structure) or from a number of alternative mechanisms. For instance, correlations between harvest and disease prevalence can also be driven by disease's impacts on population size and harvest (i.e., reverse causality) or from confounding variables (e.g., habitat or geographic location) that impact both harvest rates and disease prevalence. We analyzed two decades of surveillance data (2000–2021) from 10 mule deer herds in Wyoming, using statistical approaches informed by causal inference theory, to test for the effects of harvest on CWD prevalence. Herds with consistently high harvest pressure across 20 years had significantly lower prevalence. Our models predicted that harvesting 40% of adult males per year across 20 years would maintain prevalence below 5% on average, whereas if only 20% of males were harvested in each year, prevalence would increase to >30% by year 20. Moreover, shifting the relative harvest pressure within a herd over a shorter period (3 years) reduced subsequent prevalence, albeit to a smaller degree. Although high harvest is unlikely to completely eradicate CWD, our analysis suggests that maintaining hunting pressure on adult males is an important tactic for slowing CWD epidemics within mule deer herds. Our study also provides guidance for future analyses of longitudinal surveillance data, including the importance of demographic data and appropriate time lags.
Food availability has direct and delayed effects on structural growth and body reserves in garter snakes
Authors: Dinsmore Carli R. , Bronikowski Anne , Sparkman Amanda M. , Davis Courtney , Muñoz David , Avery Julian , Arnold Stevan J. , Miller David A. W. 
Published: January 2025

AbstractPhenotypic plasticity in body growth enables organisms to cope with unpredictable paucities in resource availability. Growth traits influence survival and reproductive success, and thereby, population persistence, and early‐life resource availability may govern lifetime patterns in growth, reproductive success, and survival. The influence of early‐life environment is decidedly consequential for indeterminately growing ectotherms, which rely on available resources and ambient temperatures to maximize fitness throughout life. Using 17 years of mark–recapture data, we evaluate the effects of resource availability on patterns in growth for populations of western terrestrial garter snakes (Thamnophis elegans), which differ along pace‐of‐life continuums into fast‐ and slow‐living ecotypes. We use an adaptation of the von Bertalanffy estimator to fit structural growth models and linear predictors for body condition to analyze the consequences of annual and early‐life prey availability. Snakes from resource‐poor early‐life environments are primed to exploit conditions in high‐prey environments later in life. Slow pace‐of‐live animals exhibit a greater capacity for compensatory strategies in structural growth, while body condition was best explained by a complex interaction across males and non‐gravid females between prey availability and ecotype. Our findings highlight the importance of accounting for context‐dependent early‐life environments as well as sex‐specific reproductive demands when evaluating population traits.