bluuebunny/crossref_metadata_2025_split huggingface dataset:
Discovery and MD Simulation of a Triterpenoid Zj7 as GR Modulator Targeting Non‐Classical GRE with Potent Anti‐Obesity Activity
Authors: Song Yeonghun , Lee Junekyoung , Kim Seonghun , Lee Seunghee , Kim Sanghee 
Published: November 2024

AbstractDespite the potential of non‐classical glucocorticoid response element (GRE)‐selective glucocorticoid receptor (GR) modulators in biomedical sciences, progress has not yet been made. In this study, we discovered a first‐in‐class chemical modulator that selectively suppresses the transcriptional activity of the GR in a gene with a non‐classical GRE, but not with classical GREs. The orexigenic agouti‐related peptide (Agrp)‐gene with a non‐classical GRE was chosen for this study. Similarity‐implemented virtual screening and rational modification of the structure of the initial hit compounds led to the identification of a pentacyclic natural triterpenoid, Zj7 (2‐O‐trans‐p‐coumaroylalphitolic acid). With this compound, we recently reported the verification of the orexigenic function and mechanism of action of GR in AgRP neurons. Herein, we describe the detailed discovery process leading to the identification of Zj7 and propose its molecular mode of action using molecular dynamics simulation.
Stepwise Conversion of a 10‐Membered Diketo Open‐Cage [60]Fullerene to a 10‐Membered Keto‐Lactone Open‐Cage [60]Fullerene
Authors: Wu Yiran , Wang Yaqiong , Guo Yulin , Yu Yuming , Su Jie , Qiu Yi , Gan Liangbing 
Published: November 2024

AbstractThe chemical reactivity of a 10‐membered diketo open‐cage fullerene C60(O)2(OOtBu)4 was investigated in an effort to reveal the unique reaction pattern of fullerene derivatives. Selective cleavage of peroxo O−O bonds was observed under thermolysis in the presence of iodine to form epoxy groups around the orifice. Opening of the epoxy groups leads to vicinal diol moiety, oxidation of which resulted in a new 10‐membered keto‐lactone open‐cage fullerene derivative. Single crystal X‐ray diffraction analysis showed that the size of the rectangular orifice is around 2.96×4.66 Å.
The Effect of Sampling Schedule on Assessment of Dietary Measures: Evidence From Blue Monkeys (Cercopithecus mitis stuhlmanni)
Authors: Johnston Amanda , Cords Marina 
Published: November 2024

ABSTRACTAccurately assessing primate diets is important in studies of behavioral ecology and evolution. While previous research has compared sampling methods (scan, focal), we examined how sampling schedule influences accuracy of dietary measures. We define sampling schedule as the combined distribution (random vs. consecutive) and frequency of sampling days within a given month. Under field conditions, time may be required to locate a study group, and we therefore also subtracted 1, 2, or 3 h from the beginning of all non‐consecutive days in each sampling schedule to mimic observation time lost to search. From a dense (near daily) 5‐year record of feeding behavior derived from focal animal follows of adult females in five wild blue monkey (Cercopithecus mitis) groups, we created data subsets matching various sampling schedules, and compared monthly dietary measures calculated from each subset to those based on the full data set. These measures included (1) the proportion of observation time feeding on fruit, (2) diet composition (three top‐ranked food items), (3) species richness of plant diet, (4) Shannon–Wiener diversity index based on plant species, and (5) Holmes–Pitelka index expressing dietary overlap with the previous month. We used generalized linear mixed models to assess how frequency and sampling type (a combination of distribution and hours lost) relate to a subset's deviation from the full data set, where a smaller deviation (or higher chance of matching, for diet composition) implies greater accuracy. For all dietary measures, increasing observation frequency increased accuracy. The response to distribution varied among measures, but sampling types generally differed more at lower frequencies. Deviation varied widely within and between dietary measures, and some sampling schedules resulted in values with large percentage differences from the “full” data. Accordingly, when designing and comparing studies, researchers should consider how sampling schedules may influence the accuracy of the dietary measures of interest.
Training in trauma surgical techniques using cryopreserved porcine organs
Authors: Fujikawa Tsubasa , Homma Hiroshi , Ishii Yuri , Tanino Yusuke , Ishigami Yuta , Suzuki Shoji , Sano Hidefumi , Tsurukiri Junya 
Published: November 2024

AbstractAimTo develop a trauma surgery training program using porcine organs and evaluate its usefulness. This program allows participants to experience the tactile sensation of organs and bleeding, which are impossible in trauma surgery training using a cadaver.MethodsResected organs (heart, lung, liver, spleen, kidney, small intestine, bladder, and external carotid artery) from slaughtered pigs for medical research were perfused with saline solution, flash‐frozen in a deep freezer, and thawed naturally on the morning of training. The training program consisted of half‐day practical training in suture repair of artificially created damage to the parenchymal organs and suture or anastomotic repair of damage to the luminal organs. We injected the parenchymal organs' arteries with porcine blood and the renal ureters with saline solution to create models of organ hemorrhage and urinary leakage. The training's usefulness was evaluated using a participant questionnaire that included an 11‐point self‐assessment of confidence level (SACL) form.ResultsNine training seminars were conducted from September 2018 to February 2023, attended by 67 participants who were in their 1st to 20th post‐graduate year. The mean SACL significantly increased immediately after the seminar but decreased half‐year thereafter. However, it was maintained for those with surgical residency. It was also maintained for those with no surgical residency through seminar repetition.ConclusionsTraining in trauma surgical techniques using porcine organs is beneficial regardless of whether the participant has prior surgical residency.
Upcycling Polyethylene to High‐Purity Hydrogen under Ambient Conditions via Mechanocatalysis
Authors: Gu Ruiqian , Wang Tonghui , Ma Yue , Wang Tong‐Xing , Yao Rui‐Qi , Zhao Yingnan , Wen Zi , Han Gao‐Feng , Lang Xing‐You , Jiang Qing 
Published: November 2024

AbstractPolyethylene (PE) is the most abundant plastic waste, and its conversion to hydrogen (H2) offers a promising route for clean energy generation. However, PE decomposition typically requires high temperatures due to its strong chemical bonds, leading to significant carbon emissions and low H2 selectivity (theoretically less than 75 vol % after accounting for further steam‐reforming reactions). Here, we report a mechanocatalytic strategy that upcycles PE into high‐purity H2 (99.4 vol %) with an exceptional H2 recovery ratio of 98.5 % (versus 15.7 % via thermocatalysis), using manganese as a catalyst at a low temperature of 45 °C. This method achieves a reaction rate 3 orders of magnitude higher than thermocatalysis. The marked improvement in H2 recovery ratio is mainly due to metal carbides formation induced by the mechanocatalytic process, which does not catalyze hydrocarbons formation. This work is expected to advance studies of the conversion of polyolefins to high‐purity H2 with net‐zero carbon emissions.
Ultra‐rapid Synthesis of High‐entropy MAX Phases and Their Derivative MXenes for Battery Electrodes
Authors: Zhang Liang , Li Huicong , Zhang Xiaoyu , Liu Chunxue , Sun Yifei , Zhang Yiyuan , Fang Zhen , He Jiangang , Wang Rongming , Jiang Kai , Chen Di 
Published: November 2024

AbstractHigh‐entropy materials hold immense promise for energy storage, owing to their varied compositions and unforeseen physicochemical properties, yet, which poses challenges in synthesis due to tendentious phase separation and extended sintering durations. Herein, an ultra‐rapid strategy based on spark plasma sintering (SPS) techniques is proposed to synthesize high‐entropy MAX phases within 15 minutes, including a new phase of (Ti0.2V0.2Cr0.2Nb0.2Mo0.2)4AlC3 and several phases of 413‐type TiVNbMoAlC3, TiVCrMoAlC3 and (Ti0.2V0.2Cr0.2Nb0.2Ta0.2)4AlC3, achieving utmost purity level up to 99.54 %. Under high temperature, the overfeed of Al with low melt point (~660 °C) can foster a liquid environment, which remits the immiscibility among starting materials and benefits to diffusion dynamics to some extents. Theoretical calculations are employed to elucidate the thermodynamic preponderance of high‐entropy MAX phases in the intricate multi‐element systems. Meanwhile, the varied stacking modes among MX slabs in high‐entropy MAX phases and the distinct topological transformations to their derivative MXenes can be observed directly at the atomic level. Moreover, four high‐entropy MXenes as electrode materials were investigated for rechargeable batteries. Among them, TiVNbMoC3 electrode demonstrates superior lithium‐ion storage capabilities with 725 mAh g−1 after 1000 cycles at 1 A g−1, triggering the edification to the application of high‐entropy MXenes for energy domain.
Twisted‐Planar Molecular Engineering with Sonication‐Induced J‐Aggregation To Design Near‐Infrared J‐Aggregates for Enhanced Phototherapy
Authors: Liu Yubo , Song Yuchen , Zhu Zhong‐Hong , Ji Chao , Li Jianqing , Jia Hanyu , Shi Yang , Hu Fang , Zhao Zujin , Ding Dan , Tang Ben Zhong , Feng Guangxue 
Published: November 2024

AbstractJ‐aggregates show great promise in phototherapy, but are limited to specific molecular skeletons and poor molecular self‐assembly controllability. Herein, we report a twisted‐planar molecular strategy with sonication‐induced J‐aggregation to develop donor–acceptor (D–A) type J‐aggregates for phototherapy. With propeller aggregation‐induced emission (AIE) moieties as the twisted subunits and thiophene as the planar π‐bridge, the optimal twisted‐planar π‐interaction in MTSIC induces appropriate slip angle and J‐aggregates formation, redshifting the absorption from 624 nm to 790 nm. In contrast, shorter π‐planarity results in amorphous aggregates, and elongation promotes charge transfer (CT) coupled J‐aggregates. Sonication was demonstrated to be effective in controlling self‐assembly behaviors of MTSIC, which enables the transformation from amorphous aggregates to H‐intermediates, and finally to stable J‐aggregates. After encapsulation with lipid‐PEG, the resultant J‐dots show enhanced phototherapeutic effects over amorphous dots, including brightness, reactive oxygen species (ROS) generation, and photothermal conversion, delivering superior cancer phototherapy performance. This work not only advances D–A type J‐aggregates design but also provides a promising strategy for supramolecular assembly development.
Influence of Chloride and Electrolyte Stability on Passivation Layer Evolution at the Negative Electrode of Mg Batteries Revealed by operando EQCM‐D
Authors: Schick Benjamin W. , Vanoppen Viktor , Uhl Matthias , Kruck Matthias , Riedel Sibylle , Zhao‐Karger Zhirong , Berg Erik J. , Hou Xu , Jacob Timo 
Published: November 2024

AbstractRechargeable magnesium batteries are promising for future energy storage. However, among other challenges, their practical application is hindered by low coulombic efficiencies of magnesium plating and stripping. Fundamental processes such as the formation, structure, and stability of passivation layers and the influence of different electrolyte components on them are still not fully understood. In this work, we gain unique insights into the initial Mg plating and stripping cycles by comparing magnesium bis(trifluoromethanesulfonyl)imide (Mg(TFSI)2)‐ and magnesium tetrakis(hexafluoroisopropyloxy)borate (Mg[B(hfip)4]2)‐based electrolytes, each with and without MgCl2, on gold electrodes by highly sensitive operando electrochemical quartz crystal microbalance with dissipation monitoring (EQCM−D) applying hydrodynamic spectroscopy. With the stable Mg[B(hfip)4]2‐based electrolytes, highly efficient and interphase‐free cycling is possible and passivation layers are attributed to electrolyte contaminants. These are forming and degrading during the so‐called initial conditioning process. With the more reactive Mg(TFSI)2‐based electrolyte, thick passivation layers with small pores are growing during cycling. We demonstrate that the addition of chloride lowers the amount of passivated Mg deposits in these electrolytes and accelerates the currentless dissolution of the passivation layer. This has a positive effect since we observe the most efficient cycling and uniform deposition when no interphase is present on the electrode.
Efficient Near‐Infrared to Blue Photon Upconversion by Ultrafast Spin Flip and Triplet Energy Transfer at Organic/2D Semiconductor Interface
Authors: Zhao Shuo , Sun Cheng , Xiang Guoyu , Zhang Yongqing , He Siyu , Li Shuangshuang , Jin Yizheng , Zhang Delong , Zhu Haiming 
Published: November 2024

AbstractSolid state photon upconversion by triplet‐triplet annihilation (TTA), particularly near‐infrared (NIR)‐to‐blue upconversion, holds instant promise for enhancing optoelectronic and photochemical applications. Despite extensive studies, NIR‐to‐blue upconversion has remained particularly challenging and elusive due to inherent multiple energy‐downhill processes in TTA upconversion. In this study, using atomically thin two dimensional (2D) monolayer semiconductor as a triplet sensitizer, we demonstrate an efficient and robust solid‐state NIR‐to‐blue photon upconversion system. The ultrathin and flexible organic/2D bilayer heterostructure exhibits a NIR‐to‐blue upconversion with high quantum yield (ΦUC=1.2 %, out of 50 %), low threshold power density (Ith=110 mW/cm2) and a record‐high apparent anti‐Stokes shift of 1.12 eV. Further spin‐ and time‐resolved spectroscopy reveals an ultrafast (<500 fs) electron spin flip to triplet‐like excitons in semiconductor sensitizer and subsequent picosecond (~6×1010 s−1) interfacial Dexter energy transfer to annihilator molecules. The triplet energy transfer rate and efficiency depend strongly on driving force, exhibiting Marcus normal region behavior. This work demonstrates 2D monolayer semiconductor as a superior ultrathin light harvesting and triplet sensitization layer and reveals the key knob to overcome the compromise between upconversion efficiency and energy loss, offering a viable pathway to efficient solid state NIR‐to‐blue photon upconversion and implementation.
Cinnamon oil value addition in natural rubber latex‐organic peroxide vulcanization system
Authors: Abeygunawardana H. N. A. B. , Perera I. C. , Kuruwita‐Mudiyanselage T. D. 
Published: November 2024

AbstractNatural rubber is a sustainable material which plays a vital role in a wide variety of applications. Value additions to this natural material enhance its horizons of utilization and encompass multiple advantages. This endeavor focuses on elevating the properties of the natural rubber latex (NRL)‐dicumyl peroxide vulcanization system with the utilization of cinnamon oil (CIN‐OIL). CIN‐OIL was characterized by GCMS, FTIR, and UV–Vis. The FTIR and TGA have confirmed the incorporation of the CIN‐OIL into the NRL. Swelling studies confirmed that the addition of CIN‐OIL has not interfered with the process of peroxy crosslinking. The adhesive peel test and facial tissue test clearly concluded that CIN‐OIL has reduced the initial tackiness of the material which is apparent in peroxy NR vulcanizates. Tear strength and modulus values were increased with CIN‐OIL due to the formation of physical crosslinking. Weathering tests confirmed the higher degradability of the CIN‐OIL‐added NRL samples. Furthermore, films were tested positive for antibacterial activity against both gram‐positive and gram‐negative bacteria. Along with the enhanced degradability, antibacterial activity, reduced initial tackiness, and enhanced mechanical properties, CIN‐OIL in NRL has enriched its qualities.
Step‐wise non‐solvent induced phase separation of polyacrylonitrile/thermoplastic polyurethane self‐supportive filtration membranes
Authors: Yu Yuxiu , Li Jin , Liu Yaodong 
Published: November 2024

AbstractThis study investigated the fabrication of polyacrylonitrile (PAN) membranes using non‐solvent induced phase separation methods, with the addition of thermoplastic polyurethane (TPU) as an additive. The incorporation of TPU and the utilization of stepwise induced phase separation techniques resulted in notable improvements in membrane structure and water filtration performance. Scanning electron microscopy revealed that membranes with TPU exhibited a denser pore network and finer primary channels, leading to enhanced water flux and protein rejection rates. Mechanical testing indicated that TPU addition improved the membrane's mechanical properties, particularly its elongation at break and tensile strength, especially under wet conditions. Additionally, optimization of the coagulation bath involved methanol spraying followed by water immersion, resulting in membranes with further enhanced flux and rejection properties. Compared with neat PAN membranes, the membranes with TPU exhibited increased water flux from 405 to 539 L/m2 h, as well as improved elongation at break and tensile strength in both dry and wet conditions. Furthermore, the combination of stepwise induced phase separation significantly enhanced the water flux from 342.7 to 483.0 L/m2 h, while also improving the retention rate of ovalbumin from 25.7% to 31.5%.
Electrochemical Decarboxylative Trifluoromethylation of Cinnamic Acids Revisited: A Combined Experimental and Computational Study
Authors: Yamamoto Yoshihiko , Goto Natsuki , Uchida Hirotaka , Yasui Takeshi 
Published: November 2024

Abstractβ‐(Trifluoromethyl)styrenes are potentially useful building blocks for the synthesis of organofluorine compounds because their electron‐deficient C=C double bonds can undergo diverse transformations. One of the most practical methods for preparing β‐(trifluoromethyl)styrenes is the decarboxylative trifluoromethylation of readily available cinnamic acid derivatives using the Langlois reagent as a less expensive trifluoromethyl source. We revisited the electrochemical decarboxylative trifluoromethylation of cinnamic acid derivatives to identify modified conditions that reduce the loading of the Langlois reagent without additional additives. The reaction mechanism was computationally investigated to gain insight into the dependence of the product yields on the aryl terminal groups. The synthetic utility of the obtained β‐(trifluoromethyl)styrenes was demonstrated by their transformation into 4‐aryl‐3‐(trifluoromethyl)pyrrolidines.
Luminescent Silver Nanoparticles Biosynthesis Using Couroupita guianensis Flower Extract: Antibacterial and Anticancer Potential
Authors: Saritha P. , Arunprakash S. , Srinivasan P. , Al‐Ansari Mysoon M. , Singh Subhav , Dixit Saurav 
Published: November 2024

ABSTRACTGreen synthesis of nanoparticles has become a significant area of research, driven by the demand for sustainable, economical, and environmentally friendly processes, particularly in biomedical applications. In this study, silver nanoparticles (AgNPs) were produced using 10 g of Couroupita guianensis flower extract through a straightforward and environmentally friendly method. The biosynthesized AgNPs were characterized using UV–Vis spectroscopy, XRD, FTIR, SEM, and EDS techniques, confirming their successful formation and structural properties. The antibacterial efficacy of the AgNPs was assessed against Escherichia coli and Listeria monocytogenes, achieving 99.5% inactivation for E. coli and 99.3% inactivation for L. monocytogenes after 120 min of visible light exposure. Additionally, the AgNPs showed notable anticancer effects against breast cancer cells (MDA‐MB‐231), displaying a dose‐dependent decrease in cell viability, with reductions of 15%, 30%, 72%, and 86% observed at concentrations of 25, 50, 75, and 100 μg/mL, respectively. The spherical morphology of the synthesized AgNPs contributed to enhanced interactions with bacterial and cancer cells, underpinning their effectiveness. Furthermore, the mechanisms underlying these antibacterial and anticancer effects were analyzed, highlighting the unique phytochemical properties of the extract that assist in biosynthesis and activity enhancement. These findings suggest that green‐synthesized AgNPs derived from C. guianensis flower extract hold significant potential for use in biomedical applications, particularly in antibacterial and anticancer therapies.
Electrospun gelatin/hyaluronic acid nanofibers as a platform for uric acid delivery to neural tissue
Authors: Street Reva M. , Kung Frank H. , Beringer Laura T. , Amchin Daniel B. , Firestein Bonnie L. , Schauer Caroline L. 
Published: November 2024

AbstractUric acid (UA) is an antioxidant that has been reported to be a neuroprotective compound for injuries and diseases, and specifically, diseases of the central nervous system. However, uric acid is highly insoluble in aqueous solutions, and high levels in the serum lead to gout, which limits its use in humans. Here, we develop a novel drug delivery platform that will release uric acid in a sustained manner for application to neural tissue. We demonstrate that one‐step incorporation of UA into an electrospun gelatin/hyaluronic acid nanofiber mat results in controlled release of UA in culture medium. Taking a unique approach, we made solutions of 12% gelatin and 1% hyaluronic acid in a formic acid solvent and added UA for production of nanofiber mats. We then dehydrothermally crosslinked the mats and tested for release of UA into physiological cell culture medium. To test whether the mats have any detrimental effects on healthy nervous system tissue, we cultured spinal cord explants on the mats extended and assessed extensions from the explants. We observed that comparable numbers and lengths of dendrites are extended from the spinal cord tissue, regardless of the amount UA content in the mats. Our results suggest that electrospun gelatin/hyaluronic acid nanofibers can be used as a platform for sustained uric acid delivery to neural tissue without detrimental effects.
A thematic analysis of the involvement of children and families in Child Safeguarding Practice Reviews in England
Authors: Harrison Cassy , Barker Claire 
Published: November 2024

AbstractThe need to involve children and families in Child Safeguarding Practice Reviews (CSPRs) is set out within the current statutory guidance. However, there remains limited guidance that sets out how this should be done and the available research indicates that children and families are often excluded or choose not to be involved. The aim of this study was to explore how children and families are currently being involved in CSPRs in order to support the development of best practice approaches. The study was conducted by undertaking a thematic analysis of the involvement of children and families in the CSPRs published on the National Society for the Prevention of Cruelty to Children (NSPCC) repository since the implementation of the guidance in 2018. The analyses identified four themes: ‘reports do not mention family involvement’, ‘children and families were excluded’, ‘children and families were invited but were not involved’ and ‘children and families were invited and at least one member was involved’. The study concludes that there is a necessity for clearer guidance regarding how, when and who will engage with the children and families, taking an individualised approach that offers flexibility, provides support and addresses trauma.