bluuebunny/crossref_metadata_2025_split huggingface dataset:
Organic Polymer Framework Enhanced PEO‐Based Electrolyte for Fast Li+ Migration in All‐Solid‐State Lithium‐ion Batteries†
Authors: Chen Jun , Zhou Quan , Xu Xiaoyan , Zhou Chuncai , Chen Guorong , Li Yan 
Published: September 2024

Comprehensive SummaryWith the rapid development of solid‐state batteries, solid‐state polymer electrolytes (SPEs) have attracted widespread attention due to their excellent environmental friendliness, designability, and forming film ability. However, due to the limited conductive path of polymers, lithium‐ion diffusion kinetics are limited, and low ion conductivity is a huge challenge for SPEs in practical applications. This work provides a polyethylene oxide (PEO) based polymer electrolyte, which has multiple paths of ion diffusion caused by organic polymer framework of poly(hexaazatrinaphthalene) (PHATN). The unique porous channel, the specific surface characteristics, the coordination of ‐C=N‐ groups in PHATN with Li+, combined with the mobility of PEO segments, make the SPEs have a good ability to conduct Li+. Interestingly, the PHATN‐PEO/lithium bis(trifluoromethanesulfonyl) imide (LiTFSI) composite electrolytes exhibit excellent electrochemical properties. At room temperature, the conductivity of PHATN‐PEO electrolyte can reach 1.03 × 10–4 S·cm–1, which is greatly improved compared with 3.9 × 10–6 S·cm–1 of PEO. Delightedly, the lithium‐ion transference number of PHATN‐PEO electrolyte achieves 0.61, and the electrochemical window increases to 4.82 V. The LFP/1%PH‐PEO/Li solid‐state batteries show good electrochemical cycles. This work reveals an efficient stratagem for the design of polymer solid‐state electrolytes.
Disruption of salt bridge interactions in the inter‐domain cleft of the tubulin‐like protein FtsZ of Escherichia coli makes cells sensitive to the cell division inhibitor PC190723
Authors: Poddar Sakshi Mahesh , Chakraborty Joyeeta , Gayathri Pananghat , Srinivasan Ramanujam 
Published: September 2024

AbstractFtsZ forms a ring‐like assembly at the site of division in bacteria. It is the first protein involved in the formation of the divisome complex to split the cell into two halves, indicating its importance in bacterial cell division. FtsZ is an attractive target for developing new anti‐microbial drugs to overcome the challenges of antibiotic resistance. The most potent inhibitor against FtsZ is PC190723, which is effective against all strains and species of Staphylococcus, including the methicillin‐ and multi‐drug‐resistant Staphylococcus aureus and strains of Bacillus. However, FtsZs from bacteria such as E. coli, Streptococcus, and Enterococcus were shown to be resistant to this inhibitor. In this study, we provide further evidence that the three pairwise bridging interactions, between residues S227 and G191, R307 and E198 and D299 and R202, between S7, S9, S10 β‐strands and the H7 helix occlude the inhibitor from binding to E. coli FtsZ. We generated single, double and triple mutations to disrupt those bridges and tested the effectiveness of PC190723 directly on Z‐ring assembly in vivo. Our results show that the disruption of S227‐G191 and R307‐E198 bridges render EcFtsZ highly sensitive to PC190723 for Z‐ring assembly. Ectopic expression of the double mutants, FtsZ S227I R307V results in hypersensitivity of the susceptible E. coli imp4213 strain to PC190723. Our studies could further predict the effectiveness of PC190723 or its derivatives towards FtsZs of other bacterial genera.
Nanobubbles in Ultrapure Water Can Self‐Propel
Authors: Bakalis Evangelos , Efthymiopoulos Pavlos , Lugli Francesca , Mitropoulos Athanasios C. , Kyzas George Z. , Zerbetto Francesco 
Published: September 2024

AbstractNanobubbles are sub‐ micron‐sized gas entities that find applications in a wide range of scientific fields. Typically, they are thought to diffuse according to Brownian motion. We report the existence of self‐propelled motion of oxygen bulk nanobubbles in ultrapure water at body temperature. Their motion, to a large extent, is self‐affine; there are different scaling exponents along the x‐ and y‐axes as well as for the lateral displacement. We use fractal analysis, and we calculate the structure function, the normalised velocity autocorrelation function, the skewness, and the kurtosis. All descriptors attest the existence of a quasi‐Gaussian stochastic process, which is classified as fractional Brownian motion. More than 50 % of the trajectories along the x‐axis follow superdiffusion, while this amount drops to 30 % for motion along the y‐axis as a result of the asymmetry of the field of view.
Recent Advances of Organic‐Inorganic Hybrid Fluorescent Hyperbranched Polymer: Synthesis, Performance Regulation Strategies and Applications
Authors: He Yanyun , Rui Wu , Yan Zhao , Feng Weixu , Zhao Chenyu , Yan Hongxia 
Published: September 2024

AbstractThe organic‐inorganic hybrid fluorescent hyperbranched polymer, including hyperbranched polysiloxane and hyperbranched polyborate, have attracted much attention due to their excellent optical properties and wide range of applications. Hyperbranched polysiloxane and polyborates, prepared by introducing Si or B elements into organic polymer chains at the molecular level through rational molecular design and novel synthesis methods, exhibit outstanding photophysical properties as an indispensable branch of organic‐inorganic hybrid fluorescent materials. Herein, this review highlights the recent research progress on hyperbranched polysiloxanes and hyperbranched polyborates, including strategies for regulating their emission wavelengths, quantum yields, and fluorescence lifetimes, potential emission mechanisms, and various applications. Finally, some challenges and promising future directions in the field of organic‐inorganic hybrid fluorescent polymers are summarized.
Preparation of Metal‐Supported Nanostructured Zeolite Catalysts and their Applications in the Upgrading of Biomass‐Derived Furans: Advances and Prospects
Authors: Pornsetmetakul Peerapol , Maineawklang Narasiri , Wattanakit Chularat 
Published: September 2024

AbstractThe development of platform chemicals derived from biomass, in particular, 5‐hydroxymethylfurfural (5‐HMF) and furfural (FUR), is of crucial importance in biorefinery. Over the past decades, metal‐supported nanostructured zeolites, in particular, metal‐supported hierarchically porous zeolites or metal‐encapsulated zeolites, have been extensively elaborated because of their multiple functionalities and superior properties, for example, shape‐selectivity, (hydro)thermal stability, tunable acidity and basicity, redox properties, improved diffusion, and intimacy of multiple active sites. In this review, the effects of such properties of metal‐supported nanostructured zeolites on the enhanced catalytic performances in furanic compound upgrading are discussed. In addition, the recent rational design of metal‐supported nanostructured zeolites is exemplified. Consequently, the ongoing challenges for further developing metal‐supported nanostructured zeolites‐based catalysts and their applications in HMF and FUR upgrading are identified.
Triplet State‐Promoted Kumada‐Corriu Coupling Catalyzed by Hydrotris(3,5‐diisopropylpyrazolyl)boratocobalt(III)diiodide
Authors: Wang Zekun , Cornaton Yann , Djukic Jean‐Pierre 
Published: September 2024

AbstractThe Kumada‐Corriu hetero‐coupling between an halogeno‐arene and an arylmagnesiumbromide can be catalyzed with yields >80 % by the new hydrotris(3,5‐diisopropylpyrazolyl)boratocobalt(III)diiodide, i. e. TpiPrCoI2. The catalysis, which is significantly improved upon exposure to light as compared to darkness, is determined by the coexistence of low and high spin states in a respective ratio of ~3 : 2 for the crucial “TpiPrCoAr2” intermediate. The pivotal cobalt(I) TpiPrCo(I)(thf)n intermediate is shown to be exclusively a triplet state in the ground state with a measured μeff value of 3.08 μB at 293 K in C6D6. DFT investigations confirm the key role of triplet states for the bisaryl‐cobalt(III) intermediates in that they provide a reaction pathway with much lower activation barriers as compared to the singlet state. The low‐to‐high spin state transition in THF enhances the reactivity of the “TpiPrCoAr2” intermediate, which changes its coordination geometry from singlet spin state 18 electron OC‐6 TpiPrCoAr2(thf) to a triplet spin state 16 electron SPY‐5 TpiPrCoAr2 where the TpiPr ligand adopts a nearly κ2 bonding mode. The quantitative Independent Gradient Model analysis of the noncovalent interactions that prefigure the C−C covalent bond in the key Co(Ar)2 intermediates informs of the peculiar importance of the singlet to triplet spin state crossover in catalysis.
Synthesis of Anthracene‐Based Mechanofluorochromic Molecules and Their Differential Mechanochromic Effects Triggered by Nitrogen Atoms
Authors: Yu Hao , Li Meng , Chen Xiong , Han Ningxu , Xu Zihan , Wang Ming 
Published: September 2024

AbstractTo investigate the influence of nitrogen atoms on the mechanofluorochromic (MFC) properties, three novel anthracene‐based MFC compounds were designed and synthesized, and the effects of nitrogen atom position changes on their photophysical properties and MFC properties were deeply explored. The structure of the three compounds maintains the anthracene and enone portions unchanged, with only subtle adjustments made to the position of the nitrogen atom in the pyridine moiety. Experimental verification revealed that these three anthracene‐based compounds exhibit almost identical photophysical properties in solution but display significantly different fluorescence colors and distinct MFC properties in the solid state. The findings of this study not only offer a new perspective for understanding the MFC mechanism of anthracene‐based compounds but also provide valuable insights for the design and development of novel MFC molecules.
Exploring the impact of myoglobin from red meat on intestinal function: Insights from mouse and cell models
Authors: Jiang Shuai , Xue Dejiang , Li Qian , Shan Kai , Zhang Miao , Zhou Guanghong , Li Chunbao 
Published: September 2024

AbstractExcessive intake of red meat may cause damage to colorectal tissue but not cause significant damage to the small intestine. However, the underlying mechanism is not clear. In this study, the effect of myoglobin extracted from red meat was explored on the intestinal barrier function of the mice, and its potential mechanism was elucidated through cell culture experiments. Exclusively high‐dose myoglobin (3.39%, equivalent to 450 g red meat per day for human) resulted in marked intestinal permeability with increased levels of serum endotoxin, diamine oxidase, and d‐lactate but reduced the mRNA levels of tight junction proteins and mucin 2 in the duodenal and colonic tissues. The diet also increased free iron and heme levels in the duodenal and colonic tissues, leading to higher level of oxidative stress and inflammatory response. Metabolomic analysis of colonic contents showed that exclusively high‐dose myoglobin altered the relative content of indole and its derivatives, phenolic compounds, and 5‐hydroxy‐l‐tryptophan by regulating tryptophan metabolism and kynurenine cycle and destroying intestinal homeostasis. The very high myoglobin hydrolysate induced oxidative stress and apoptosis more seriously in HT29 cells than in INT407 cells, which could be the main reason for more severe colon injury. Nevertheless, normal low‐dose intake (0.38% myoglobin, equivalent to 50 g per day for human) did not show the above‐mentioned harmful effects. The findings provided a risk assessment for the dosage of red meat intake and new insights into the relationship between red meat intake and intestinal health.
Abnormal multimodal neuroimaging patterns associated with social deficits in male autism spectrum disorder
Authors: Wei Long , Xu Xin , Su Yuwei , Lan Min , Wang Sifeng , Zhong Suyu 
Published: September 2024

AbstractAtypical social impairments (i.e., impaired social cognition and social communication) are vital manifestations of autism spectrum disorder (ASD) patients, and the incidence rate of ASD is significantly higher in males than in females. Characterizing the atypical brain patterns underlying social deficits of ASD is significant for understanding the pathogenesis. However, there are no robust imaging biomarkers that are specific to ASD, which may be due to neurobiological complexity and limitations of single‐modality research. To describe the multimodal brain patterns related to social deficits in ASD, we highlighted the potential functional role of white matter (WM) and incorporated WM functional activity and gray matter structure into multimodal fusion. Gray matter volume (GMV) and fractional amplitude of low‐frequency fluctuations of WM (WM‐fALFF) were combined by fusion analysis model adopting the social behavior. Our results revealed multimodal spatial patterns associated with Social Responsiveness Scale multiple scores in ASD. Specifically, GMV exhibited a consistent brain pattern, in which salience network and limbic system were commonly identified associated with all multiple social impairments. More divergent brain patterns in WM‐fALFF were explored, suggesting that WM functional activity is more sensitive to ASD's complex social impairments. Moreover, brain regions related to social impairment may be potentially interconnected across modalities. Cross‐site validation established the repeatability of our results. Our research findings contribute to understanding the neural mechanisms underlying social disorders in ASD and affirm the feasibility of identifying biomarkers from functional activity in WM.
Computational Synthesis of Histological Stains: A Step Toward Virtual Enhanced Digital Pathology
Authors: Salvi Massimo , Michielli Nicola , Salamone Lorenzo , Mogetta Alessandro , Gambella Alessandro , Molinaro Luca , Papotti Mauro , Molinari Filippo 
Published: September 2024

ABSTRACTHistological staining plays a crucial role in anatomic pathology for the analysis of biological tissues and the formulation of diagnostic reports. Traditional methods like hematoxylin and eosin (H&E) primarily offer morphological information but lack insight into functional details, such as the expression of biomarkers indicative of cellular activity. To overcome this limitation, we propose a computational approach to synthesize virtual immunohistochemical (IHC) stains from H&E input, transferring imaging features across staining domains. Our approach comprises two stages: (i) a multi‐stage registration framework ensuring precise alignment of cellular and subcellular structures between the source H&E and target IHC stains, and (ii) a deep learning‐based generative model which incorporates functional attributes from the target IHC stain by learning cell‐to‐cell mappings from paired training data. We evaluated our approach of virtual restaining H&E slides to simulate IHC staining for phospho‐histone H3, on inguinal lymph node and bladder tissues. Blind pathologist assessments and quantitative metrics validated the diagnostic quality of the synthetic slides. Notably, mitotic counts derived from synthetic images exhibited a strong correlation with physical staining. Moreover, global and stain‐specific metrics confirmed the high quality of the synthetic IHC images generated by our approach. This methodology represents an important advance in automated functional restaining, achieved through robust registration and a model trained on precisely paired H&E and IHC data to transfer functions cell‐by‐cell. Our approach forms the basis for multiparameter histology analysis and comprehensive cohort staining using only digitized H&E slides.
Interprofessional team‐based care in the community pharmacy setting: A summary of existing models and best practice recommendations
Authors: Irwin Adriane N. , Marciniak Macary Weck , Awad Reham , Cadiz Christine L. , Cook Sarah Grace , Herbert Sophia M. C. , Lee Joyce Y. , Orth Lucas E. , Szwak Jennifer A. 
Published: September 2024

AbstractCommunity pharmacies are rapidly becoming destinations for health services beyond medication dispensing. Delivery models for community‐based services have become increasingly complex, creating expanded opportunities and necessitating collaboration between pharmacists in the community setting and other health care professionals. As a result, it is essential to articulate best practices and recommendations to assist stakeholders in responding to the changing landscape and optimize care for patients. This white paper provides a summary of published examples of interprofessional practice that include community pharmacies in the United States and internationally, and then adapts established guiding principles for interprofessional practice to the community pharmacy setting to outline a framework and specific recommendations for consideration. This framework highlights a need to place patients at the center of collaborative community‐based care models, have organizational leaders show a commitment to and establish an infrastructure for interprofessional collaboration that includes community‐based pharmacists, foster respect for community pharmacy practice, address communication and technology barriers in the health care system, and finally, embrace interprofessional learning in the community pharmacy setting. Addressing challenges and embracing opportunities is vital to accelerate practice transformation and further position community‐based pharmacists as essential members of interprofessional care teams.
Concentration‐dependent effects of the nerve agents cyclosarin and VX on cytochrome P450 in a HepaRG cell‐based liver model
Authors: Horn Gabriele , Frielingsdorf Franziska , Demel Tobias , Rothmiller Simone , Worek Franz , Amend Niko 
Published: September 2024

AbstractThe exposure to highly toxic organophosphorus (OP) compounds, including pesticides and nerve agents, is an ongoing medical challenge. OP can induce the uncontrolled overstimulation of the cholinergic system through inhibition of the enzyme acetylcholinesterase (AChE). The cytochrome P450 (CYP) enzymes in the liver play a predominant role in the metabolism of xenobiotics and are involved in the oxidative biotransformation of most clinical drugs. Previous research concerning the interactions between OP and CYP has usually focused on organothiophosphate pesticides that require CYP‐mediated bioactivation to their active oxon metabolites to act as inhibitors of AChE. Since there has been little data available concerning the effect of nerve agents on CYP, we performed a study with cyclosarin (GF) and O‐ethyl‐S‐[2‐(diisopropylamino)‐ethyl]‐methylphosphonothioate (VX) by using a well‐established, metabolically competent in vitro liver model (HepaRG cells). The inhibitory effect of the nerve agents GF and VX on the CYP3A4 enzyme was investigated showing a low CYP3A4 inhibitory potency. Changes on the transcription level of CYP and associated oxygenases were evaluated by quantitative reverse transcription polymerase chain reaction (qRT‐PCR) using the two nerve agent concentrations 250 nM and 250 μM. In conclusion, the results demonstrated various effects on oxygenase‐associated genes in dependence of the concentration and the structure of the nerve agent. Such information might be of relevance for potential interactions between nerve agents, antidotes or other clinically administered drugs, which are metabolized by the affected CYP, for example, for the therapy with benzodiazepines, that are used for the symptomatic treatment of OP poisoning and that require CYP‐mediated biotransformation.
Molecular fingerprint by omics‐based approaches in saliva from patients affected by SARS‐CoV‐2 infection
Authors: Pinto Gabriella , Gelzo Monica , Cernera Gustavo , Esposito Mariapia , Illiano Anna , Serpico Stefania , Pinchera Biagio , Gentile Ivan , Castaldo Giuseppe , Amoresano Angela 
Published: September 2024

AbstractClinical expression of coronavirus disease 2019 (COVID‐19) infectionis widely variable including fatal cases and patients with mild symptoms and a rapid resolution. We studied saliva from 63 hospitalized COVID‐19 patients and from 30 healthy controls by integrating large‐scale proteomics, peptidomics and targeted metabolomics to assess the biochemical alterations following the infection and to obtain a set of putative biomarkers useful for noninvasive diagnosis. We used an untargeted approach by using liquid chromatography–tandem mass spectrometry (LC–MS/MS) for proteomics and peptidomics analysis and targeted LC–multiple reaction monitoring/MS for the analysis of amino acids. The levels of 77 proteins were significantly different in COVID‐19 patients. Among these, seven proteins were found only in saliva from patients with COVID‐19, four were up‐regulated and three were down‐regulated at least five‐folds in saliva from COVID‐19 patients in comparison to controls. The analysis of proteins revealed a complex balance between pro‐inflammatory and anti‐inflammatory proteins and a reduced amount of several proteins with immune activity that possibly favours the spreading of the virus. Such reduction could be related to the enhanced activity of endopeptidases induced by the infection that in turn caused an altered balance of free peptides. In fact, on a total of 28 peptides, 22 (80%) were differently expressed in severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) and control subjects. The multivariate analysis of such peptides permits to obtain a diagnostic algorithm that discriminate the two populations with a high diagnostic efficiency. Among amino acids, only threonine resulted significantly different between COVID‐19 patients and controls, while alanine levels were significantly different between COVID‐19 patients with different severity. In conclusion, the present study defined a set of molecules to be detected with a quick and easy method based on mass spectrometry tandem useful to reveal biochemical alterations involved in the pathogenesis of such a complex disease. Data are available via ProteomeXchange with identifier PXD045612.