bluuebunny/crossref_metadata_2025_split huggingface dataset:
Targeting CBX3 with a Dual BET/PLK1 Inhibitor Enhances the Antitumor Efficacy of CDK4/6 Inhibitors in Prostate Cancer
Authors: Liang Huaiyuan , Yang Chunguang , Zeng Ruijiang , Song Yingqiu , Wang Jianxi , Xiong Wei , Yan Binyuan , Jin Xin 
Published: November 2023

AbstractThe development of castration‐resistant prostate cancer (CRPC) is a significant factor that reduces life expectancy among patients with prostate cancer. Previously, it is reported that CDK4/6 inhibitors can overcome the resistance of CRPC to BET inhibitors by destabilizing BRD4, suggesting that the combination of CDK4/6 inhibitors and BET inhibitors is a promising approach for treating CRPC. In this study, candidates that affect the combined antitumor effect of CDK4/6 inhibitors and BET inhibitors on CRPC is aimed to examine. The data demonstrates that CBX3 is abnormally upregulated in CDK4/6 inhibitors‐resistant cells. CBX3 is almost positively correlated with the cell cycle in multiple malignancies and is downregulated by BET inhibitors. Mechanistically, it is showed that CBX3 is transcriptionally upregulated by BRD4 in CRPC cells. Moreover, it is demonstrated that CBX3 modulated the sensitivity of CRPC to CDK4/6 inhibitors by binding with RB1 to release E2F1. Furthermore, it is revealed that PLK1 phosphorylated CBX3 to enhance the interaction between RB1 and CBX3, and desensitize CRPC cells to CDK4/6 inhibitors. Given that BRD4 regulates CBX3 expression and PLK1 affects the binding between RB1 and CBX3, it is proposed that a dual BRD4/PLK1 inhibitor can increase the sensitivity of CRPC cells to CDK4/6 inhibitors partially through CBX3.
Double‐Network DNA Macroporous Hydrogel Enables Aptamer‐Directed Cell Recruitment to Accelerate Bone Healing
Authors: Miao Yali , Liu Xiao , Luo Jinshui , Yang Qian , Chen Yunhua , Wang Yingjun 
Published: November 2023

AbstractRecruiting endogenous bone marrow mesenchymal stem cells (BMSCs) in vivo to bone defect sites shows great promise in cell therapies for bone tissue engineering, which tackles the shortcomings of delivering exogenous stem cells, including limited sources, low retention, stemness loss, and immunogenicity. However, it remains challenging to efficiently recruit stem cells while simultaneously directing cell differentiation in the dynamic microenvironment and promoting neo‐regenerated tissue ingrowth to achieve augmented bone regeneration. Herein, a synthetic macroporous double‐network hydrogel presenting nucleic acid aptamer and nano‐inducer enhances BMSCs recruitment, and osteogenic differentiation is demonstrated. An air‐in‐water template enables the rapid construction of highly interconnective macroporous structures, and the physical self‐assembly of DNA strands and chemical cross‐linking of gelatin chains synergistically generate a resilient double network. The aptamer Apt19S and black phosphorus nanosheets‐specific macroporous hydrogel demonstrate highly efficient endogenous BMSCs recruitment, cell differentiation, and extracellular matrix mineralization. Notably, the enhanced calvarial bone healing with promising matrix mineralization and new bone formation is accompanied by adapting this engineered hydrogel to the bone defects. The findings suggest an appealing material approach overcoming the traditional limitations of cell‐delivery therapy that can inspire the future design of next‐generation hydrogel for enhanced bone tissue regeneration.
Light‐controlled molecular tweezers capture specific amyloid oligomers
Authors: Qian Chengyuan , Chen Jiefang , Wang Cheng , Wang Qiang , Wang Xiaoyong , Wang Xiaohui 
Published: November 2023

AbstractAmyloid‐β peptide (Aβ) oligomers, characteristic symptom of Alzheimer's disease (AD), have been identified as the most neurotoxic species and significant contributors to neurodegeneration in AD. However, due to their transient and heterogeneous nature, the high‐resolution structures and exact pathogenic processes of Aβ oligomers are currently unknown. Using light‐controlled molecular tweezers (LMTs), we describe a method for precisely capturing specific Aβ oligomers produced from synthetic Aβ and AD animal models. Light irradiation can activate LMTs, which are composed of two Aβ‐targeting pentapeptides (KLVFF) motifs and a rigid azobenzene (azo) derivative, to form a tweezer‐like cis configuration that preferentially binds to specific oligomers matching the space of the tweezers via multivalent interactions of KLVFF motifs with the oligomers. Surprisingly, cis‐LMTs can immobilize the captured oligomers in transgenic Caenorhabditis elegans under light irradiation. The LMTs may serve as spatiotemporally controllable molecular tools to extract specific native oligomers for the structure and function studies via reversible photoisomerization, which would improve the understanding of the toxic mechanisms of Aβ oligomers and development of oligomer‐targeted diagnosis and therapy.
Formation mechanisms of molecular compound in saturated‐unsaturated mixed‐acid triacylglycerols mixture systems and its edible applications
Authors: Bayés‐García Laura , Sato Kiyotaka , Zhang Lu , Yoshikawa Shinichi , Kaneko Fumitoshi , Yamamoto Yoshinori , Watanabe Shimpei , Taguchi Ken 
Published: November 2023

AbstractThe triacylglycerols (TAGs) containing saturated (Sat)‐unsaturated (U) fatty acid moieties (Sat‐U mixed acid TAGs) are widely present in most natural fats and employed in many industrial applications. The mixing behavior of different Sat‐U mixed acid TAGs acts important roles in the physicochemical properties TAG‐based materials. Among the three main mixing states of miscible, eutectic and molecular compound (MC) forming mixtures, fundamental research has been conducted on the MC crystals formed by different Sat‐U mixed acid TAGs to understand the structures, phase behavior and crystallization properties. This article reviews studies to date on the complex thermodynamic, kinetic and structural factors that affect the formation of MC crystals in binary and ternary mixtures of Sat‐U mixed acid TAGs (SatUSat, SatSatU, USatU and UUSat) through specific molecular interactions among the component TAGs. Furthermore, the application of the MC‐forming mixtures containing cacao butter to new types of cocoa butter alternative is reviewed.
Environmental variables influencing occurrence and distribution ofDelphinus delphisin the eastern Aegean Sea (eastern Mediterranean Sea)
Authors: Ingrosso Maurizio , Tintoré Beatriz , Cipriano Giulia , Ricci Pasquale , Grandjean Tim , Tsimpidis Thodoris , Nomikou Paraskevi , Carlucci Roberto , Miliou Anastasia 
Published: November 2023

AbstractCetaceans are considered bioindicators of the health state of marine ecosystems owing to their wide distribution across the different aquatic ecosystems in the world and their significant top‐down control role in the food chain, despite their low biomass. At the same time, effective management of wild cetacean populations severely affected by human pressure requires extensive knowledge on species distribution, habitat use, and associated threats. In this context, defining the factors that directly influence the local occurrence and distribution of cetaceans is one of the underlying challenges and is essential for their conservation and long‐term survival.Delphinus delphissightings data, collected between 2017 and 2021 during 284 standardized vessel‐based surveys, were used to set up a presence–absence distribution model in the eastern Aegean Sea, eastern Mediterranean Sea. Binomial generalized additive models with logit as link function were run using the R package mgcv (restricted maximum likelihood method) and different biogeochemical explanatory variables collected from different sources.Longitude, latitude, salinity, chlorophyll a, dissolved ammonium, and dissolved phosphate were selected as non‐collinear predictive variables. Through a model validation based on a 10‐fold cross‐validation approach and a random data splitting procedure of 70%/30% (train/test dataset), a model formula has been selected with an explained deviance of 38.10%, an Akaike information criterion value of 1,661.3, and an area under curve of 0.91.The study confirms that long‐term time series of satellite‐derived data are useful to assess the occurrence and the spatial distribution ofD. delphis, suggesting the need for a better understanding of the influence of these environmental factors especially in the framework of climate changes.Outcomes highlight the need to test further variables and further methods in order to provide increasingly reliable results in view of the conservation measures that must be adopted to stop or reduce the degree of pressure to which these species are subjected.
On the dentition, tooth replacement, and taxonomic status of Charruodon tetracuspidatus Abdala & Ribeiro, 2000: A bizarre cynodont from the middle upper Triassic of southern Brazil
Authors: Hoffmann Carolina Abreu , Ribeiro Ana Maria , de Andrade Marco Brandalise 
Published: November 2023

AbstractAmong the living tetrapods, mammals present a unique tooth replacement pattern, diphyodonty. Therefore, studying the dentition of mammalian ancestors is relevant to a better understanding of how this remarkable feature evolved. However, little is known about the postcanine tooth replacement pattern among Triassic cynodonts. Here, we applied the nondestructive method of microcomputed tomography (microCT) to analyze the dentition of the enigmatic Upper Triassic sectorial‐toothed cynodont Charruodon tetracuspidatus (MCP 3934 PV, holotype) from the Candelaria Sequence, Santa Maria Supersequence, Brazil. The microCT‐scan data allowed visualization of the replacement dentition and roots of the functional teeth, which provided information to inform interpretations of the ontogenetic stage and taxonomy of the species. A combination of dental and mandibular traits, as well as the small size of the specimen MCP 3934 PV, suggest an early ontogenetic stage. Additionally, the specimen could potentially be an ontogenetically immature form of another taxon, or a yet unknown species of probainognathian cynodont. Therefore, Charruodon tetracuspidatus is here designated as a nomen dubium, given the challenges of maintaining the species as valid.
Dibenzi Heteroheptaphyrin(2.0.1.1.1.1.0)s: Synthesis, Spectral, Redox and Theoretical Studies
Authors: Tiwari Shubham , Ravikanth Mangalampalli 
Published: November 2023

AbstractThree examples of dibenzi heteroheptaphyrin(2.0.1.1.1.1.0)s were synthesized by condensing bis(phenylene ethene) based hexapyrrane with appropriate diol, 2,5‐bis(α‐hydroxy‐α‐arylmethyl) thiophene or selenophene in CH2Cl2 under BF3 ⋅ OEt2 catalyzed inert atmosphere conditions followed by DDQ oxidation in open air. HR‐MS analyses confirmed the identities of dibenzi heteroheptaphyrins. The DFT optimized structures revealed that dibenzi heteroheptaphyrins were highly distorted nonplanar macrocycles with two thiophene rings preferred to be in an inverted conformation. 1D & 2D NMR helped in deducing the molecular structures of dibenzi heteroheptaphyrins and supported their nonaromatic nature. The theoretical NMR calculations were carried which matched closely with the experimental NMR data. NMR studies also revealed that the π‐delocaliztion was significantly altered in dibenzi heteroheptaphyrins compared to previously reported dibenzi hexaphyrins. The dibenzi heptaphyrins showed one sharp absorption band in 400–500 nm region and a broad band in the region of 600–800 nm which were bathochromically shifted in their diprotonated derivatives. The theoretical absorption calculations corroborate the slight hypsochromic shift of the broad absorption band in the lower energy region of dibenzi heptaphyrins compared to dibenzi hexaphyrins. The electrochemical studies revealed that the dibenzi heptaphyrins were easier to reduce but difficult to oxidize compared to dibenzi hexaphyrins.
Comprehension of irony in autistic children: The role of theory of mind and executive function
Authors: Song Yongning , Nie Ziyun , Shan Jiatong 
Published: November 2023

AbstractAlthough previous studies have examined irony comprehension in autistic children and potential impact factors, the relationship between theory of mind (ToM), executive function (EF), symptoms of autism, and comprehension of irony in this population remains largely unknown. This study explored irony comprehension in autistic children and examined the roles of ToM and EF in linking autism symptoms to deficits in irony comprehension. Twenty autistic children were compared with 25 typically developing (TD) children in an irony story picture task, ToM task, and EF task. The results showed that autistic children had impaired comprehension of irony compared with TD children, and performance on ironic stories showed a significant moderate discriminatory effect in predicting autistic children. A ToM deficit has also been proposed for autistic children. Comprehension of irony was significantly correlated with second‐order ToM (2nd ToM) but was not significantly correlated with any components of EF. Moreover, 2nd ToM can predict the level of irony comprehension and mediate the relationship between symptoms of autism and irony comprehension. Taken together, these findings suggest that irony comprehension may offer a potential cognitive marker for quantifying syndrome manifestations in autistic children, and 2nd ToM may provide insight into the theoretical mechanism underlying the deficit in irony comprehension in this population.
Luminescence and dosimetry approach in terbium(III)‐activated tungstate double perovskite
Authors: Degda Naresh , Patel Nimesh , Verma Vishwnath , Murthy Kota Venkata Ramana , Srinivas Mangalampalli 
Published: November 2023

AbstractA series of tungstate double perovskite Ca3WO6 doped with Tb3+ was prepared by a combustion process using urea as a flux. The crystal structure identification of Ca3WO6:Tb3+ phosphors was done using X‐ray diffraction patterns, and a monoclinic structure was discovered. The Fourier transform infrared spectrum of Ca3WO6:Tb3+ displayed characteristic vibrations of tungstate bonds. Under 278 nm excitation, Ca3WO6:Tb3+ exhibited intense downconversion green emission, which corresponded to the 5D4–7FJ (J = 4,5) transitions of Tb3+. The phosphor exhibited the highest photoluminescence (PL) intensity when it was doped with 1 mol% of Tb3+; later intensity quenching appeared to be due to the multipolar interaction at higher dopant concentrations. Moreover, high‐quality thermoluminescence (TL) was detected when phosphors were irradiated using beta rays. The effects of Tb3+ concentration and beta dose on TL intensity were the two major aspects studied in detail. The TL intensity demonstrated excellent linear response to the applied range of beta dose. The trap parameters of the studied phosphors were computed by the peak shape approach and glow curve deconvolution. The fading effect on TL intensity was studied by recording the TL glow curves after 1 month of beta irradiation. Obtained results from the PL and TL characterizations showed that the phosphors under study have the potential to be used in lighting displays and in thermoluminescence dosimetry.
Breaking Radial Dipole Symmetry in Planar Macrocycles Modulates Edge‐to‐Edge Packing and Disrupts Cofacial Stacking
Authors: Li Yan , Castillo Henry D. , Dobscha James R. , Morgan Amanda R. , Tait Steven L. , Flood Amar H. 
Published: November 2023

AbstractDipolar interactions are ever‐present in supramolecular architectures, though their impact is typically revealed by making dipoles stronger. While it is also possible to assess the role of dipoles by altering their orientations by using synthetic design, doing so without altering the molecular shape is not straightforward. We have now done this by flipping one triazole unit in a rigid macrocycle, tricarb. The macrocycle is composed of three carbazoles (2 Debye) and three triazoles (5 Debye) defining an array of dipoles aligned radially but organized alternately in and out. These dipoles are believed to dictate edge‐to‐edge tiling and face‐to‐face stacking. We modified our synthesis to prepare isosteric macrocycles with the orientation of one triazole dipole rotated 40°. The new dipole orientation guides edge‐to‐edge contacts to reorder the stability of two surface‐bound 2D polymorphs. The impact on dipole‐enhanced π stacking, however, was unexpected. Our stacking model identified an unchanged set of short‐range (3.4 Å) anti‐parallel dipole contacts. Despite this situation, the reduction in self‐association was attributed to long‐range (~6.4 Å) dipolar repulsions between π‐stacked macrocycles. This work highlights our ability to control the build‐up and symmetry of macrocyclic skeletons by synthetic design, and the work needed to further our understanding of how dipoles control self‐assembly.
Synthesis of π‐Conjugated Chiral Aza/Boracyclophanes with a meta and para Substitution
Authors: Zhang Kai , Hao Mengyao , Jin Tianyun , Shi Yafei , Tian Guoqing , Li Chenglong , Ma Hongwei , Zhang Niu , Li Quansong , Chen Pangkuan 
Published: November 2023

AbstractWe herein describe the synthesis of a new class of axially chiral aza/boracyclophanes (BDN1, BXN1, BDB1 and BXB1) using binaphthyls as chiral building blocks and the main‐group (B/N) chemistry with tunable electronic effects. All macrocycles substituted with triarylamine donors or triarylborane acceptors are strongly luminescent. These macrocycles showed two distinct meta and para π‐conjugation pathways, leading to the formation of quasi figure‐of‐eight and square‐shaped conformations. Interestingly, comparison of such structural models revealed that the former type of macrocycles BXN1 and BXB1 gave higher racemization barriers relative to the other ones. The results reported here may provide a new approach to engineer the optical stability of π‐conjugated chiral macrocycles by controlling π‐substitution patterns. The ring constraints induced by macrocyclization were also demonstrated to contribute to the configurational persistence as compared with the open‐chain analogues p‐BTT and m‐BTT.
Nectar robbing by bees affects the reproductive fitness of the distylous plant Tirpitzia sinensis (Linaceae)
Authors: Wang Xiaoyue , Yao Renxiu , Lv Xiaoqin , Yi Yin , Tang Xiaoxin 
Published: November 2023

AbstractNectar robbing can affect plant reproductive success directly by influencing female and male fitness, and indirectly by affecting pollinator behavior. Flowers have morphological and chemical features that may protect them from nectar robbers. Previous studies on nectar robbing have focused mainly on homotypic plants. It remains unclear how nectar robbing affects the reproductive success of distylous plants, and whether defense strategies of two morphs are different. Nectar‐robbing rates on the long‐ and short‐styled morph (L‐morph, S‐morph) of the distylous Tirpitzia sinensis were investigated. We compared floral traits, the temporal pattern of change in nectar volume and sugar concentration, nectar secondary metabolites, and sugar composition between robbed and unrobbed flowers of two morphs. We tested direct effects of nectar robbing on female and male components of plant fitness and indirect effects of nectar robbing via pollinators. Nectar‐robbing rates did not differ between the two morphs. Flowers with smaller sepals and petals were more easily robbed. The floral tube diameter and thickness were greater in L‐morphs than in S‐morphs, and the nectar rob holes were significantly smaller in L‐morphs than in S‐morphs. Nectar robbing significantly decreased nectar replenishment rate but did not affect nectar sugar concentration or sugar composition. After robbery, the quantities and diversity of secondary compounds in the nectar of S‐morphs increased significantly and total relative contents of secondary compounds in L‐morphs showed no obvious changes. Nectar robbing could decrease female fitness by decreasing pollen germination rate and thus decreasing seed set. Nectar robbing had no significant effects on male fitness. Robbed flowers were less likely to be visited by hawkmoth pollinators, especially in S‐morphs. These results suggest that nectar robbing could directly and indirectly decrease the female fitness of T. sinensis, and different morphs have evolved different defense mechanisms in response to nectar‐robbing pressure.
Fibroblast growth factor 23 independently predicts adverse outcomes after an acute coronary syndrome
Authors: Kallmeyer Andrea , Pello Ana , Cánovas Ester , Aceña Álvaro , González‐Casaus María Luisa , Tarín Nieves , Cristóbal Carmen , Gutiérrez‐Landaluce Carlos , Huelmos Ana , Rodríguez‐Valer Aida , González‐Lorenzo Óscar , Alonso Joaquín , López‐Bescós Lorenzo , Egido Jesús , Mahillo Ignacio , Lorenzo Óscar , Tuñón José 
Published: November 2023

AbstractAimsAbnormalities of mineral metabolism (MM) have been related to cardiovascular disorders. There are no reports on the prognostic role of MM after an acute coronary syndrome (ACS). We aim to assess the prognostic role of MM after an ACS.Methods and resultsPlasma levels of components of MM [fibroblast growth factor 23 (FGF23), calcidiol, parathormone, klotho, and phosphate], high‐sensitivity C‐reactive protein, and N‐terminal‐pro‐brain natriuretic peptide were measured in 1190 patients at discharge from an ACS. The primary outcome was a combination of acute ischaemic events, heart failure (HF) and death. Secondary outcomes were the separate components of the primary outcome. Age was 61.7 ± 12.2 years, and 77.1% were men. Median follow‐up was 5.44 (3.03–7.46) years. Two hundred and ninety‐four patients developed the primary outcome. At multivariable analysis FGF23 (hazard ratio, HR 1.18 [1.08–1.29], P < 0.001), calcidiol (HR 0.86 [0.74–1.00], P = 0.046), previous coronary or cerebrovascular disease, and hypertension were independent predictors of the primary outcome. The predictive power of FGF23 was homogeneous across different subgroups of population. FGF23 (HR 1.45 [1.28–1.65], P < 0.001) and parathormone (HR 1.06 1.01–1.12]; P = 0.032) resulted as independent predictors of HF. FGF23 (HR 1.21 [1.07–1.37], P = 0.002) and calcidiol (HR 0.72 [0.54–0.97), P = 0.028) were independent predictors of death. No biomarker predicted acute ischaemic events. FGF23 predicted independently the primary outcome in patients with estimated glomerular filtration rate > 60 mL/min/1.73 m2.ConclusionsFGF23 and other components of MM are independent predictors of HF and death after an ACS. This effect is homogeneous across different subgroups of population, and it is not limited to patients with chronic kidney disease.
An improved slip‐wall model for large eddy simulation and its implementation in the local domain‐free discretization method
Authors: Zhang D. , Zhou C. H. 
Published: November 2023

AbstractIn this paper, a slip‐wall model for large eddy simulation (LES) is improved and implemented in an immersed boundary method named the local domain‐free discretization (DFD) method. Considering that the matching location may be in the viscous sublayer, the physics‐based interpretation of a Robin‐type wall closure is complemented. Then, the slip‐wall wall model is improved, in which the slip length is redefined and the Robin boundary condition is imposed at the solid wall. The improved slip‐wall model is implemented in the local DFD method to evaluated the tangential velocity at an exterior dependent node, and then the requirement on high resolution of boundary layers can be alleviated. The non‐equilibrium effects are accounted for by adding an explicit correction to the wall shear stress. In order to validate the present wall‐modeled LES/DFD method, a series of turbulent channel flows at various Reynolds numbers, the flow over periodic hills and the flows over a NACA 4412 airfoil at a high Reynolds number are simulated. The predicted results agree well with the referenced experimental data and numerical results. Especially, the results of the separated flow over the airfoil at a near‐stall condition demonstrate the performance of the present wall‐modeled LES/DFD method for complex flows.