bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, Structural Analysis, and Catalysis for Suzuki–Miyaura Coupling Reactions of Tetradentate N^C^C^N and Tetracarbene C^C^C^C Nickel–N‐Heterocyclic Carbene Complexes
Authors: Gao Chen , Luo Wen‐Qi , Xiao Xiao , Shuai Hai‐Juan , Chen Ling‐Ying , Jin Chuan‐Ming 
Published: January 2025

ABSTRACTFour novel Ni(II)–N‐heterocyclic carbene (Ni–NHC) complexes were synthesized and characterized by NMR, ESI–MS, SEM, TEM, EDS mapping, XPS, and single‐crystal X‐ray diffraction (XRD) analysis. Ni–NHC complexes 7 and 8 are intramolecular tetradentate N^CNHC^CNHC^N‐cyclometalated [1L + 1M] complex featuring coplanar of azole and quinoline rings, and Ni–NHC complex 11 is an interligand tetracarbene CNHC^CNHC^CNHC^CNHC‐cyclometalated [2L + 1M] complex with two six‐membered, conformation of boat‐shaped, CNHC^CNHC‐cyclometalated structural units. Complex 9@Ni–NHC is a softly fluffy black powder with the surface morphology of a tightly arranged honeycomb‐like pore structure and may be an interligand tetracarbene CNHC^CNHC^CNHC^CNHC‐cyclometalated [2L + 1M] structure containing a very small amount of Ni0 state. DFT calculations suggested enhanced stability for tetracarbene CNHC^CNHC^CNHC^CNHC‐cyclometalated complexes 9@Ni–NHC and 11. Cyclic voltammetry studies shown that complexes 7, 8, and 9@Ni–NHC have similar redox properties of two pairs of redox peaks, and complex 11 displays only one reversible redox process with half‐wave potentials at E1/2 = −0.864 V. All complexes were found to be efficient catalysts for the Suzuki–Miyaura cross‐coupling reaction, and complexes 7 and 8 display better catalytic activity than complexes 9@Ni–NHC and 11 and exhibit catalytic activity comparable to Pd(OAc)2 catalyst, which may be attributed to the intraligand chelating tetradentate coordination and the coplanar conjugate effect between the azole and quinoline rings.
Stabilization of Alkyltin γ‐Keggin Clusters by 2, 5‐Dihydroxyterephthalate Ligands
Authors: Zhou Qian , Zhu Yu , Li Peng , Fang Wei‐Hui , Li Dong‐Sheng 
Published: January 2025

AbstractThe Keggin clusters are one kind of the most representative molecular structures in the field of metal‐oxo clusters. Although the different types of Keggin clusters with various components were reported, the research about γ‐Keggin isomer remains less developed. This is ascribed to the difficulty in obtaining the stable pure γ‐Keggin cluster for the structural isomerization. In this study, we adopted a ligand stabilization strategy to get the stable pure γ‐Keggin structure [(n‐BuSn)12(NaO4)(OH)24](DHTA)2.5 ⋅ DMF ⋅ H2O (CTGU‐SnC‐10). Different from the reported mixed neutral‐charge alkytin β, γ isomers, the NaSn12 cluster in the CTGU‐SnC‐10 is a cationic pentavalent γ‐Keggin structure without isomerization. Besides the electrostatic interaction, the NaSn12 cationic clusters have a strong hydrogen‐bond interaction with polycarboxylic ligands, resulting in the formation of a 3D hydrogen‐bonded framework. These are conducive to stabilizing the γ‐Keggin structure. Moreover, the CTGU‐SnC‐10 exhibits high hydrophobicity and a small band gap due to the organic functional groups of the framework.
Silver N‐Heterocyclic Biscarbene Complexes: Potent Inhibitors of Thioredoxin Reductase with Anticancer Activity in Vitro and in Vivo
Authors: Esarev Igor V. , Wu Chengnan , Kirsanova Anna A. , Türck Sebastian , Lippmann Petra , Jones Peter G. , Babak Maria V. , Ott Ingo 
Published: January 2025

AbstractSilver N‐heterocyclic carbene (NHC) complexes are known to form biscarbene species from monocarbene analogs in protic polar solvents. However, the effect of the respective species of silver NHC complexes on their biological activity against bacteria or cancer cells has not been systematically explored, either in vitro or in vivo. The direct and simple conversion of monocarbene silver N‐heterocyclic carbene (NHC) halide complexes (NHC)AgX, (X=Cl, Br) 1 a/b–5 a/b to their biscarbene analogues (NHC)2AgX 1 c/d–5 c/d is reported. The biscarbenes demonstrated generally lower activity against bacteria compared to the monocarbene complexes; however, both types showed similar activity against tumor cells and a non‐tumor reference cell line. Selected mono‐ and biscarbene complexes 3 a and 3 c showed similar strong inhibitory effects on thioredoxin reductase in vitro and in cellulo and had a similar level of metal uptake into A549 cells. The subsequent evaluation of their effects in vivo revealed relatively low toxicity and high antitumoral efficacy of both selected complexes in mice. The biscarbene silver organometallic 3 c showed the most pronounced reduction of tumor growth in animals. The results indicate that both (NHC)AgX and (NHC)2AgX complexes could trigger their anticancer activity as biscarbene complexes, making this the preferred form for future anticancer metallodrug development.
Prototyp einer vollmodularen Straßenbrücke
Authors: Schaarschmidt David , Jesse Frank , Putz Jakob , Flederer Holger , Bösche Thomas 
Published: January 2025

AbstractAufgrund einer ungünstigen Altersstruktur und begrenzter Investitionen in den Erhalt von Brücken im Zuge der Straßeninfrastruktur Deutschlands werden kurz‐ und mittelfristig erhebliche finanzielle sowie baulogistische Anstrengungen erforderlich, um deren Leistungsfähigkeit sicherzustellen. Das betrifft sowohl die Bundesfernstraßen mit etwa 4000 Brücken im Sofortmaßnahmenprogramm als auch das kommunale Straßennetz, dessen Brückenbestand zu 17 % aus Bauwerken besteht, die vor 1945 erbaut wurden. In diesem Kontext stellen modulare Schnellbausysteme eine Lösungsoption dar, die in kürzester Zeit errichtet werden kann und damit die negativen Folgeerscheinungen von Baustellen minimiert. Im vom BMWK geförderten Forschungsvorhaben Pilotanwendung modularer Brückenbau (PAMB) wurde ein solches System für Straßenbrücken mit kleinen und mittleren Stützweiten entwickelt. Der realisierte maximale Vorfertigungsgrad ermöglicht für Einfeldbauwerke die Herstellung eines voll funktionsfähigen Überbaus an nur einem Arbeitstag. Die extrem kurze Bauzeit wird durch das kraftschlüssige Fügen der Module mittels Vorspannung erreicht. Durch vorgespannte Trockenfugen kann gänzlich auf Fugenverguss oder Verklebung verzichtet werden.
Isolation, Purification, and Characterization of Lentinus edodes Polysaccharides Extracted With Subcritical Water Enhanced With Deep Eutectic Solvent
Authors: Wen Chaoting , Ye Zhiqiang , Liu Guoyan , Liang Li , Liu Xiaofang , Li Youdong , Xu Xin , Zhang Jixian 
Published: January 2025

ABSTRACTThe Lentinus edodes polysaccharide (LEP) was extracted with a new subcritical water extraction (SWE) enhanced with deep eutectic solvent (DES) method and then purified with a DEAE‐52 cellulose column and a Sephadex G‐100 column. Two purified polysaccharides (LEP1 and LEP2) were obtained, and their structure, antioxidant activity, and immunomodulatory activity were analyzed. LEP1 and LEP2 were composed of mannose, glucose, and galactose with a molar ratio of 1:12.97:7.84 and 1:51.18:5.29, respectively. The molecular weights were 9.878 × 104 and 1.976 × 104 Da, respectively. Interestingly, both LEP1 and LEP2 were mainly composed of →4)‐β‐d‐Glcp‐(1→, →6)‐β‐d‐Glcp‐(1→ and →6)‐α‐d‐Galp‐(1→ with different molar ratio. Besides, both LEP1 and LEP2 had strong DPPH free radical scavenging activity and Fe2+ chelating capacity. Moreover, they could reduce the level of reactive oxygen species (ROS) and regulate the activities of malondialdehyde (MDA), catalase (CAT), and superoxide dismutase (SOD) in HepG2 cells, demonstrating strong antioxidant activity. Furthermore, both LEP1 and LEP2 could improve the phagocytic capacity, nitric oxide (NO) release, and the content of interleukin (IL)‐6, IL‐1β, and tumor necrosis factor‐α (TNF‐α) in RAW264.7 cells, exhibiting significant immunostimulatory activity. It was worth noting that LEP2 exhibited stronger biological activities than LEP1. Therefore, the SWE enhanced with DES is an ideal method for extracting polysaccharides, which can be further applied to extract other polysaccharides.
False Mating of Blackbirds (Turdus merula) and Fieldfares (Turdus pilaris)
Authors: Wysocki Dariusz , Dudzińska‐Nowak Joanna 
Published: January 2025

ABSTRACTDuring an intensive study of the urban population of the blackbird Turdus merula in Szczecin (1997–2023), four cases of surrogate copulation were observed in the blackbird and three in the fieldfare Turdus pilaris. In three cases, birds (blackbirds twice and fieldfare once) try to copulate with fledglings of their own species, and in all other cases, the birds try to copulate with moss and sticks. In three cases copulation, attempts were done by adult birds (two blackbirds and one fieldfare), and in four cases, it was a fledgling.
Spatial and Temporal Relationships Between Roe and Red Deer in an Alpine Area
Authors: Donini Valerio , Pedrotti Luca , Ferretti Francesco , Iacona Elisa , Lorenzetti Lucrezia , Cozzi Francesca , Corlatti Luca 
Published: January 2025

ABSTRACTInterspecific interactions are important drivers of population dynamics and species distribution. These relationships can increase niche partitioning between sympatric species, which can differentiate space and time use or modify their feeding strategies. Roe deer Capreolus capreolus and red deer Cervus elaphus are two of the most widespread ungulate species in Europe and show spatial and dietary overlap. However, limited information is available on their interspecific relationships, especially in mountainous areas. In this study we used 5 years of camera trapping data collected in the Stelvio National Park (Central Italian Alps) to investigate spatial and temporal interactions between roe deer and red deer. Analyses were based on 2060 and 9030 roe deer and red deer detections, respectively, collected from July to September, from 2019 to 2023, using 50 camera traps randomly distributed over a 10,000‐ha study area. Spatial interactions were assessed by fitting a single‐season, single‐species occupancy model to calculate the probability of roe deer detection and occupancy as a function of relative red deer abundance and site‐specific environmental covariates. Temporal interactions were obtained by comparing the diel activity patterns of the two species. Results showed no significant effect of red deer relative abundance on the probability of presence of roe deer. Spatial analysis suggested a higher probability of roe deer presence in forested habitats, at lower elevations, and in areas with gentler slopes. Diel activity patterns of roe deer were consistent across sites with higher and lower red deer relative abundance, with moderate to high interspecific overlap, suggesting moderate temporal partitioning and no major support for temporal avoidance of the latter by the former. The high degree of overlap between the two species may be the result of area‐specific ecological conditions, such as the widespread distribution of red deer during the summer period, as well as of the adoption of strategies that favor coexistence.
Morphological and Molecular Characterization of a New Isospora (Apicomplexa: Eimeriidae) Species From a Singing Honeyeater (Gavicalis virescens Vieillot, 1817) (Passeriformes: Meliphagidae) in Western Australia
Authors: Chen Yinhua , Brice Belinda , Berto Bruno P. , Yang Rongchang 
Published: January 2025

ABSTRACTWe describe and characterize a new Isospora species from the Singing honeyeater (Gavicalis virescens) in Western Australia, both morphologically and molecularly. Microscopic analysis of a fecal sample identified 25 ellipsoidal oocysts, measuring 21–25 × 18–20 μm (mean 23.4 × 18.7 μm), with a length/width (L/W) ratio of 1.2–1.3 (mean 1.25). The oocyst wall is bilayered and ~1.0 μm thick, with a smooth outer layer making up about two‐thirds of the thickness. A micropyle cap, measuring ~2.0 × 4.5 μm, is present as a curved protrusion on the outer layer. The micropyle itself is ~4.5 μm wide. The oocysts lack a residuum but contain 1–2 polar granules. The 25 ellipsoidal sporocysts measured 14–15 × 8–9 μm (mean 14.1 × 8.7 μm) with an L/W ratio of 1.6–1.7 (mean 1.62). The Stieda body is flattened (~0.5 × 1.5 μm), the sub‐Stieda body is rounded (~1.5 × 2.5 μm), and the para‐Stieda body is absent. The sporocyst residuum, composed of clustered spherules, is ~3.5 × 3.5 μm. Sporozoites contain anterior and posterior refractile bodies and a nucleus. Molecular analysis of the 18S rRNA, 28S rRNA, and COI gene loci showed a 99.5% genetic similarity to Isospora neochmiae at the 18S rRNA locus and 99.2% and 97.7% similarities to Isospora manorinae at the 28S rRNA and COI loci, respectively. Phylogenetic analysis confirmed that the new species is closely related to I. manorinae. Based on these data, we propose this isolate as a new species, Isospora virescensae n. sp.
Molecular Insights Into the Sensory Adaption of the Cave‐Dwelling Leech Sinospelaeobdella wulingensis to the Karst Cave Environment
Authors: Wen Xi , Xiang Haiyang , Zhang Mengqing , Yan Aoran , Xiang Dongqing , Zou Jie , Zhang Yue , Huang Xinglong , Liu Zhixiao 
Published: January 2025

ABSTRACTKarst caves are a unique environment significantly different from the external environment; adaptation of cave‐dwelling animals to the cave environment is often accompanied by shifts in the sensory systems. Aquatic and terrestrial leeches have been found in the karst caves. In this study, we conducted a transcriptome analysis on the cave‐dwelling leech Sinospelaeobdella wulingensis. A total of 29,286 unigenes were obtained by assembling the clean reads, and only 395 genes are differentially expressed in winter and summer samples. Two piezo‐type mechanosensitive ion channels (Piezos), eight transient receptor potential channels (TRPs), and six ionotropic glutamate receptors (iGluRs) were identified in the transcriptome. These channels/receptors are transmembrane proteins sharing conserved structural features in the respective protein families. SwPiezo1 shares high identity with Piezos in non‐caving leeches. SwiGluRs are conserved in protein sequence and share high identities with homologous proteins in other leeches. In contrast, SwTRPs belong to different subfamilies and share diverse identities with TRPs in other species. Gene expression analysis showed that two SwPiezos, five SwTRPs, and one SwiGluR are abundantly expressed in both winter and summer samples. These results suggest that SwPiezos, SwTRPs, and SwiGluRs are candidate sensory channels/receptors that may have roles in mechanosensory and chemosensory systems. High expression levels of Piezo and TRP genes imply a mechanosensory adaptation of S. wulingensis to the hanging living style in caves. Furthermore, enrichment of sensory genes in the oral sucker indicates the important role of this tissue in response to environmental stimuli. Similar gene expression profiles in winter and summer samples imply a stable physiological status of S. wulingensis in the cave environment.
Palladium‐Catalyzed Heck‐Matsuda Reaction of Morita‐Baylis‐Hillman Alcohols with Aryl Triazenes: Unexpected Role of Nitric Acid as the Promoter
Authors: Shen Yue , Pan Mengni , Liu Daming , You Hui , He Xinying , Li Yang , Shen Chaoren , Zhao Mengmeng , Li Wanfang 
Published: January 2025

AbstractWe herein developed a mild and ligand‐free palladium‐catalyzed Heck‐Matsuda reaction between Morita‐Baylis‐Hillman alcohols (MBHAs) and aryl triazenes. After thorough screening of the acids, nitric acid (HNO3) was unexpectedly found to be the most effective promoter for in situ generation of arenediazonium salts. This coupling reaction allows for a highly selective production of a various α‐arylmethyl β‐keto esters from readily accessible starting materials.
The Acute Effects Of Hip Thrust and Glute Bridge Exercises With Different Loads on Sprint Performance and Horizontal Force–Velocity Profile in Adolescent Soccer Players: A Post‐Activation Performance Enhancement Approach
Authors: Çabuk Salih , İnce İzzet 
Published: January 2025

ABSTRACTThis study examines the acute effects of post‐activation performance enhancement (PAPE) with different loads (84% and 60% 1‐RM) and exercises (hip thrust; HT and glute bridge; GB) on sprint performance (SP) and horizontal force–velocity (HF–V) profile components in adolescent male soccer players. The participants were randomly assigned to three groups: hip thrust group (HTG; n = 13), glute bridge group (GBG; n = 13), and control group (CG; n = 14). Sprint tests at distances of 10, 20, and 30 m were conducted pre‐PAPE and post‐PAPE protocols with a 7 min rest period. HTG and GBG executed HT and GB exercises at 84% and 60% of their 1‐RM loads. Hedge's g was computed to assess within‐group (pre‐PAPE vs. post‐PAPE) comparisons (Within‐ES) and between‐group (post‐PAPE protocols) comparisons (Between‐ES). PAPE protocols at 84% and 60% 1‐RM loads demonstrated moderate effects on F0rel, Pmaxrel, FVslope, and DRF and small effects on V0, RFmax, and S20m in both HTG and GBG. Conversely, the CG exhibited trivial effects across parameters. Compared to the HTG 84% 1‐RM protocol, the GBG 84% 1‐RM protocol showed small effects on V0 and S10m. The HTG 60% 1‐RM protocol had a small effect on RFmax compared to both GBG 84% and 60% 1‐RM protocols. Both HTG and GBG 84% and 60% 1‐RM protocols demonstrated small effects on S30m compared to the CG. These findings suggest that GB exercises may offer a viable alternative to HT exercises for eliciting PAPE effects, particularly in enhancing SP and related mechanics in adolescent soccer players.
First Principles Study of Electronic, Vibrational, Elastic, and Thermodynamic Properties of Sc‐X (X = P, S, Se) Compounds
Authors: Yadav S. K. , Dahal S. , Khadka R. , Guragain B. , Pokharel P. , Oli P. , Adhikari D. 
Published: January 2025

ABSTRACTThe available literature on Sc‐X (X = P, S, Se) compounds was comprehensively reviewed which revealed the unavailability of temperature‐dependent mechanical and thermodynamic properties of the materials to date. In this regard, the mixing properties of the compounds were investigated on the basis of density functional theory using Quantum ESSPRESSO codes. The obtained results of structural stability, electronic and mechanical properties of the work were found to be consistent with the available literature data which validates the present computational approach. The considered compounds were found to be stable and elastic constants satisfied the Born stability criteria. The phonon dispersion curves and phonon density of states were calculated which confirmed their dynamic stability. Using the same functionals, temperature‐dependent mechanical properties such as isothermal bulk modulus (BT), isoentropic bulk modulus (BS), BS‐BT, and the pressure derivative of the bulk modulus (dB/dP) were calculated in the temperature range 0–800 K. In thermodynamic properties, Helmholtz free energy, thermal energy, vibrational free energy, entropy, vibrational energy, thermal expansion, Grüneisen parameter, isochoric heat capacity (Cv), isobaric heat capacity (Cp), and Cp‐Cv, were also investigated in the temperature range.
Numerical Simulation Study on the Effect of Bend Angle on the Flow Characteristics of Natural Gas Hydrate Particles
Authors: Shao Dongliang , Zhang Chenglong , Rao Yongchao , Wang Shuli , Li Fei , Yu Meng , Su Wenjuan , Wu Wenjing , Gong Zijia 
Published: January 2025

ABSTRACTBend pipe is a commonly used part of long‐distance pipelines. It is very important to study the flow law of hydrate particles in the bend pipe to optimize pipeline design. In addition, the efficiency and safety of pipeline gas transmission will be improved. The flow of hydrate particles in the bend pipe is the research object of this paper, and the short twist tape is used as the spiral device, and numerical simulation methods are used to study the effects of the bend angle and the twist rate on the velocity distribution, turbulence intensity distribution, wall shear, particle movement and pressure drop distribution of the spiral flow carrying hydrate particles. The results show that as the twist rate of the twist tape is smaller, and the spiral flow is stronger, the fluid can generate a larger tangential velocity when flowing through the bend. The maximum speed at the section closest to the entrance is 28% higher than at the section furthest. Maximum tangential speed increased by 2 times. When the angle of the bend is larger, and velocity is more conducive to maintaining the spiral flow pattern of the particles, it is also more conducive to maintain. However, the twist rate is smaller, and the resistance is greater, then the pressure drop is greater, and the resistance coefficient of the bend pipe section is greater. With the increase of torsion, the pressure drop decreased by 52%. When the angle of the bend pipe section becomes smaller, it increases the collision frequency between the pipe wall and the natural gas. Unit pressure drop loss increased by 13%. When the angle is smaller, the change in the direction of the velocity of the particles will be more violent, and the pressure drop is larger, and the drag coefficient is larger. In the same section, the maximum turbulence intensity is about twice the minimum.
Stability Analysis and Failure Control of Composite Roof in Mining Roadway Considering Plastic Zone Expansion
Authors: Pan Kun , Hou Biao , Zhang Zhen , Ju Wenjun , Huang Dongshan , Wang Yinwei 
Published: January 2025

ABSTRACTTo address the problems of the large deformation of surrounding rock, failure of support, and even roof fall under the influence of severe mining in the return airway of the panel I0116306 in Mindong No.1 Coal Mine, the fracture evolution characteristics and deformation law of the roadway composite roof were investigated through numerical simulation, theoretical analysis, and on‐site detection. With the continuous evolution of the magnitude and direction of the main stress in the surrounding rock of the mining roadway with a composite roof, the following observations were made: first, plastic failure occurred in the shallow area; second, because the undamaged hard coal seam cannot block the expansion of the plastic zone, the plastic zone crosses the undamaged hard coal seam and expands into the deep part. The strong deformation pressure caused by the expanding plastic failure of the deep interlayer leads to tensile fracture failure at the middle of the lower part of the undamaged hard coal seam, and to overall instability. According to the evolutionary pattern of the plastic zone in the composite roof of the mining roadway, the multi‐level coupling support technology (MCST) focusing on the fracture morphology of the composite roof is applied to the test roadway. The field monitoring results reveal that the application effect is satisfactory.