bluuebunny/crossref_metadata_2025_split huggingface dataset:
The collaborative cross mouse for studying the effect of host genetic background on memory impairments due to obesity and diabetes
Authors: Paz Avia , Midlej Kareem , Zohud Osayd , Lone Iqbal M. , Iraqi Fuad A. 
Published: October 2024

AbstractBackgroundOver the past few decades, a threefold increase in obesity and type 2 diabetes (T2D) has placed a heavy burden on the health‐care system and society. Previous studies have shown correlations between obesity, T2D, and neurodegenerative diseases, including dementia. It is imperative to further understand the relationship between obesity, T2D, and cognitive deficits.MethodsThis investigation tested and evaluated the cognitive impact of obesity and T2D induced by high‐fat diet (HFD) and the effect of the host genetic background on the severity of cognitive decline caused by obesity and T2D in collaborative cross (CC) mice. The CC mice are a genetically diverse panel derived from eight inbred strains.ResultsOur findings demonstrated significant variations in the recorded phenotypes across different CC lines compared to the reference mouse line, C57BL/6J. CC037 line exhibited a substantial increase in body weight on HFD, whereas line CC005 exhibited differing responses based on sex. Glucose tolerance tests revealed significant variations, with some lines like CC005 showing a marked increase in area under the curve (AUC) values on HFD. Organ weights, including brain, spleen, liver, and kidney, varied significantly among the lines and sexes in response to HFD. Behavioral tests using the Morris water maze indicated that cognitive performance was differentially affected by diet and genetic background.ConclusionsOur study establishes a foundation for future quantitative trait loci mapping using CC lines and identifying genes underlying the comorbidity of Alzheimer's disease (AD), caused by obesity and T2D. The genetic components may offer new tools for early prediction and prevention.
Semi‐Quantum Signature Protocol Using EPR Steering and Single Photons
Authors: Yang Chun‐Wei 
Published: October 2024

AbstractThis study tackles critical issues in semi‐quantum signature (SQS) protocols to enhance security and efficiency. It revisits Xia et al.’s SQS protocol, which uses EPR steering for security but introduces inconsistencies in a semi‐quantum environment. Xia et al. assume that both the signatory and arbitrator have full quantum capabilities, while the verifier only has partial capabilities, making them a classical participant. However, their protocol requires the verifier to perform eavesdropping checks, necessitating quantum storage, which is not aligned with a semi‐quantum environment. The study proposes a novel SQS protocol using EPR steering and single photons, with pre‐shared keys to determine photon arrangements to address this. This ensures that only the communicating parties know the inspection and message transmission locations, solving the quantum storage issue and enabling efficient eavesdropper detection and identity authentication. This new protocol adheres to semi‐quantum principles and sets a foundation for future advancements in quantum cryptography and secure communication.
Autocatalysis‐Integrated Bioorthogonal (Poly)Catalyst‐Linked Immunosorbent Assay for Living Cell Membrane Antigens
Authors: Feng Xuepu , Tong Guoming , Ran Zengwei , Liu Xiaojuan , Li Liang , Liu Guhuan , Yang Ronghua 
Published: October 2024

AbstractImmunoassay methods, notably enzyme‐linked immunosorbent assays (ELISAs), renowned for their signal amplification capabilities, are extensively employed in scientific research and clinical diagnostics. However, the instability of enzymes and their sensitivity to cellular environments present significant challenges for the broad application of ELISA in living cells. In this work, we present a bioorthogonal (poly)catalysis‐linked immunosorbent assay (BCLISA) designed for the detection of cell membrane antigens, which involves coupling bioorthogonal catalysts based on small molecules or polymers to antibodies. After screening, we opted for the copper(I)‐catalyzed azide‐alkyne cycloaddition (CuAAC) as the core reaction system. The polymer‐based catalysts exhibit enhanced reactivity at the same molecular concentration due to their multiple catalytic sites. Polytriazoles formed during the CuAAC reaction have the ability to chelate Cu(I), thereby promoting faster catalysis. By harnessing this autocatalytic feature, we successfully increased the signal amplification potential of BCLISA. Ultimately, this autocatalysis‐integrated BCLISA technique was employed for antigen detection and imaging on both in vitro and living cell membranes. This approach offers a new method for the detection and imaging of low‐abundance antigens on living cells.
Single‐Atom Pt Loaded on MOF‐Derived Porous TiO2 with Maxim‐Ized Pt Atom Utilization for Selective Hydrogenation of Halonitro‐benzene
Authors: Guo Mingchun , Meng Qiangqiang , Gao Ming‐Liang , Zheng Lirong , Li Qunxiang , Jiao Long , Jiang Hai‐Long 
Published: October 2024

AbstractThe location control of single atoms relative to supports is challenging for single‐atom catalysts, leading to a large proportion of inaccessible single atoms buried under supports. Herein, a “sequential thermal transition” strategy is developed to afford single‐atom Pt preferentially dispersed on the outer surface of TiO2. Specifically, a Ti‐MOF confining Pt nanoparticles is converted to PtNPs and TiO2 composite coated by carbon (PtNPs&TiO2@C‐800) at 800 °C in N2. Subsequent thermal‐driven atomization of PtNPs at 600 °C in air produce single‐atom Pt decorated TiO2 (Pt1/TiO2‐600). The resulting Pt1/TiO2‐600 exhibits superior p‐chloroaniline (p‐CAN) selectivity (99 %) to PtNPs/TiO2‐400 (45 %) and much better activity than Pt1@TiO2‐600 with randomly dispersed Pt1 both outside and inside TiO2 in the hydrogenation of p‐chloronitrobenzene (p‐CNB). Mechanism investigations reveal that Pt1/TiO2‐600 achieves 100 % accessibility of Pt1 and preferably adsorbs the –NO2 group of p‐CNB while weakly adsorbs –Cl group of p‐CNB and p‐CAN, promoting catalytic activity and selectivity.
Strong Metal‐Support Interaction between Pt and TiO2 over High‐Temperature CO2 Hydrogenation
Authors: Hu Xiaochun , Xu Dan , Jiang Jianchun 
Published: October 2024

AbstractThe catalytic activities and stability of oxide‐supported metal catalysts are significantly affected by metal‐support interactions (MSI) between oxidic supports and supported metals. The surface properties of the support, such as its phase and defects, are crucial in MSI, including both the strong metal‐support interaction (SMSI) and electronic metal‐support interaction (EMSI). In this study, modulation of SMSI was achieved on rutile‐supported Pt nanoparticles (NP) over high‐temperature CO2 hydrogenation. The encapsulation of Pt NP surfaces with TiO2–x overlayers is precisely controlled by the defects. It is found that oxygen vacancy defects significantly enhance the catalytic stability of Pt/rutile under high‐temperature reverse water‐gas shift (RWGS) reaction by inhibiting the occurrence of SMSI. Pt/rutile with oxygen vacancies achieves a 301 molCO ⋅ gM−1 ⋅ h−1 space time yield and considerably catalytic stability (decreased by 8 %) at 800 °C over 100 h time‐on‐stream. Density functional theory (DFT) calculations suggest that the adsorption capacity of Pt NP on the rutile overlayer can be reduced by increasing electron density. Experimental results combined with DFT calculations show that electron transfer from Pt NP to rutile is reduced by the oxygen vacancy defects on Pt/R, preserving the metallic nature of Pt species during CO2 hydrogenation, thereby preventing the formation of SMSI.
Fe2O3 Nano‐Catalyst Mediated Oxidative Decarboxylation CH Acylation/Benzoylation of 3‐Alkylidene‐2‐Oxindoles With α‐Keto Acids
Authors: Rana Soumitra , Bera Aswini , Sarkar Prabhat , Shee Uday , Sinha Goutam , Bera Debasish , Khatua Bhanu Bhusan , Mukhopadhyay Chhanda 
Published: October 2024

ABSTRACTWe successfully employed an environmentally friendly synthesized heterogeneous Fe2O3 nano‐catalyst‐mediated one pot approach to β CH bond acylation of 3‐Alkylidene‐2‐Oxindoles via oxidative decarboxylation of α‐keto acids. This method enabled the activation of Csp2‐H bonds, resulting in the formation of Csp2‐Csp2 single bonds and the generation of highly substituted derivatives of (E)‐2‐(2‐oxoindolin‐3‐ylidene)‐1‐aryl‐3‐substituted‐propane‐1,3‐diones and (E)‐3‐oxo‐2‐(2‐oxoindolin‐3‐ylidene)‐3‐substituted‐propanoates. The synthesized non‐toxic Fe2O3 nano‐material was meticulously characterized through FT‐IR, powdered XRD, HRTEM, EDX, BET, and ICP‐MS analyses. This heterogeneous catalyst can be conveniently recovered with a magnetic field and reused in subsequent reactions. This method offers excellent functional‐group tolerance, efficient substrate yield in less time, simple workup, and a recyclable catalyst.
Optimization of Photocatalytic Degradation of Rhodamine B and Indigo Carmine Dyes Using Eco‐Friendly Kaolinite‐Silver Oxide Quantum Dots Nanocomposite Under Sunlight Irradiation
Authors: Awad Mahmoud E. , Farrag Amr M. , Aboelnga Mohamed M. , El‐Bindary Ashraf A. 
Published: October 2024

ABSTRACTIn this work, we present a simple method for the pyrofabrication of a new kaolinite‐ silver oxide quantum dots nanocomposite (Kao‐Ag2O/QDs) that is used for the degradation of rhodamine B (RhB) and indigo carmine (IC) dyes. A homogenous combination of kaolinite and silver nitrate was sintered up to 350 °C to create the extremely effective photocatalyst (Kao‐Ag2O/QDs). Various analytical techniques were employed to characterize the Kao‐Ag2O/QDs photocatalyst such as XRD, FTIR, XPS, SEM–EDX, TEM, DTA/TGA, ZP, BET, and UV–Vis DRS. The degradation of RhB and IC dyes through the photocatalyst was carried out in aqueous solutions utilizing several pH dye solutions and sustainable solar energy in atmosphere conditions. The nanocomposite that was prepared had shown an enhanced specific surface area of 53.3005 m2/g, a pore size of 8.1197 nm, and a total pore volume of 0.216 cm3/g. It also displayed an optical band gap energy of 2.9 eV. The study creates that employing the ideal dose of 2000 and 1500 mg/L of the Kao‐Ag2O/QDs photocatalyst at neutral conditions (pH = 7) resulted a maximum degradation effectiveness of RhB and IC of 91.06 and 93.46% after 90 min, respectively. RhB and IC dyes degradation followed Langmuir first‐order kinetics with a rate constant of 0.0217 and 0.0216 min−1 at pH = 7, respectively. The photocatalytic degradation activity for RhB dye is based on hydroxyl radicals (˙OH) and superoxide radicals (˙O2−), while the mechanism of IC removal is based on superoxide radicals (˙O2−), as revealed by scavenger‐based radical trapping studies. A triple reusability study found that the Kao‐Ag2O photocatalyst is highly stable with degradation efficiencies of RhB and IC dyes from the initial 91.09 to 90.04, 88.54, and 86.27% and from the initial 93.46 to 92.8, 91.4 and 89.32%, respectively. The optimal situations for the parameters were identified by the Box–Behnken design (BBD), which was well matched with photocatalytic degradation tests.
Novel Nanoparticle‐Sized Cu(II), Ru(III), and Th(IV) Chelates Derived From Quinaldine Azo Dye Ligand: DFT Studies, Molecular Docking, and Applications in Drug Development and Catalysis
Authors: Khedr Abdalla M. , Gaber Mohamed , Elsharkawy Mohsen , Atlam Faten M. , Bakr Eman A. 
Published: October 2024

ABSTRACTThree novel complexes of copper(II), ruthenium(III), and thorium(IV) ions with quinaldine azo dye ligand HL were synthesized in nanoscale. Applying mass spectroscopy, electronic, infrared, 1H NMR, elemental, and thermal investigations, their structures were examined. By using azo nitrogen and hydroxyl oxygen atoms to coordinate as a monobasic bidentate, it was found that the ligand displayed bicapped square antiprism geometry with thorium(IV) metal ion, square pyramidal arrangement in copper(II) complex and octahedral configuration in ruthenium(III) complex. In order to confirm the complexes' geometrical arrangement, theoretical investigations were carried out using DFT/B3LYP/6–311 + G(d,p)/LANLDZ. The dipole moment, geometrical configuration, energetic parameters, and HOMO–LUMO gap of energy have been calculated. The compounds were formed in nanometric forms, as indicated by the mean particle sizes obtained by applying TEM. Based on TEM images for the complexes of copper(II), ruthenium(III), and thorium(IV), their average particle sizes were 11.04, 3.89, and 1.52 nm, respectively. PANC‐1 and A‐549 cells were used in the tests to evaluate the compounds' anticancer activity against the vinblastine reference. The findings confirm the great cytotoxicity effect of the free ligand and its complexes against the investigated cell lines using different doses of the examined compounds. Ru(III) and Cu(II) complexes exhibited cytotoxic effectiveness greater than that of vinblastine. The azo ligand, HL, exhibited the strongest antibacterial activity that is superior to that of the conventional medicines themselves and greater than that of its metal complexes. The most physiologically active compound's ideal conformation was found using molecular docking research, and the manner in which the Ru(III) complex and the enzyme of Panc‐1 link together was determined. It interacts in three different modes with the target receptor (PANC‐1): hydrophobic force, electrostatic force, and H‐bond. In addition to increasing the candidate activity, these interactions can be used to design and predict new, effective compounds. The capacity of the ligand and its complexes to act as heterogeneous catalysts for the oxidation of methyl violet 2B was examined. The ruthenium(III) and thorium(IV) complexes generated the greatest catalytic efficiencies.
Invasion Dynamics of the Alien Amphibian Xenopus laevis in France: Perspectives for Management
Authors: Pagano Alain , Harmange Clément , Rappoccio Mariastella , Colchen Tatiana , Combet Gabriel , Chouteau Philippe , Picard Damien , Moreau Eléonore , Bartoli Marco , Pays Olivier 
Published: October 2024

ABSTRACTBackgroundInvasive alien species (IAS) are recognised as pervasive drivers of global environmental change and pose significant threats to socio‐ecosystems worldwide. Although much attention is focused on prevalent IAS, the oversight of species that are still contained and approaching critical invasion thresholds raises concern. In this context, scientific support to implement effective and spatially informed management strategies is critically needed.AimsOur study focuses on the African clawed frog, Xenopus laevis, a concerning IAS projected to undergo a substantial expansion in Europe.Materials & MethodsUsing a comprehensive analysis of three distinct datasets, our study aimed to document newly colonised sites and provide an up‐to‐date overview of the current distribution and invasion dynamics of X. laevis in France.ResultsOur results revealed recent colonisation of new sites within the established range of the species and the continuous progression of the invasion front at a rate of 1.2 km per year. This annual progression currently translates to an expansion of approximately 400 km2 per year in the predicted distribution range of the species.DiscussionEmphasising the urgent need for proactive management, we recommend measures encompassing prevention, early detection and rapid responses to invasion, delineated across three strategic zoning levels.ConclusionImmediate and coordinated efforts are imperative to anticipate and mitigate the considerable socio‐environmental impacts associated with this species in the future.
N‐[4‐(Benzyloxy)‐3‐methoxybenzyl)]adamantane‐1‐amine (DZH2), a dual CCR5 and CXCR4 inhibitor as a potential agent against triple negative breast cancer
Authors: Rostom Monica M. , El‐Zohairy Mariam A. , Marzouk Mohamed A. , Berger Martin R. , Schols Dominique , Assal Reem A. , Mandour Yasmine M. , Adwan Hassan , Zlotos Darius P. 
Published: October 2024

AbstractDZH2, a dual inhibitor of the chemokine receptors CCR5 and CXCR4, was discovered from virtual screening for CCR5 antagonists. In specific Ca2+ chemokine signaling assays, DZH2 displayed low micromolar IC50 values at both chemokine receptors. Its binding to intracellular allosteric binding sites of CCR5 and CXCR4 was confirmed by MD simulations and binding free‐energy calculations. DZH2 is superior to the CCR5 antagonist maraviroc in terms of its inhibitory activity on the growth of two breast cancer cell lines. In MCF7 and MDA‐MB‐231 cells, DZH2 was a >100‐fold more potent inhibitor of cell viability compared to maraviroc. DZH2 (6.7 µM) reduced migration of MDA‐MB‐231 cells to 4% compared to 50% inhibition of migration caused by maraviroc (780 µM). Also, DZH2 was a significantly more potent inhibitor of colony formation in MDA‐MB‐231 cells than maraviroc. In MCF10 cells, DZH2 caused no alteration in the gene expression with respect to cellular pathways mediating cell death, indicating its selectivity to breast cancer cells.
The carcinogenesis of esophageal squamous cell cancer is positively regulated by USP13 through WISP1 deubiquitination
Authors: Wang An , Wang Youbo , Ma Qinyun , Chen Xiaofeng 
Published: October 2024

AbstractThe objective was to determine whether USP13 stabilizes WISP1 protein and contributes to tumorigenicity and metastasis in ESCC through the Wnt/CTNNB1 signaling pathway. ESCC cell lines (KYSE150 and TE10) were treated with the proteasome inhibitor MG‐132, followed by siRNA screening of deubiquitinases (DUBs) to identify regulators of WISP1. Mass spectrometry, immunoprecipitation, and in vitro functional assays were conducted to explore the interaction between USP13 and WISP1 and to assess the effects of USP13 downregulation on cell proliferation, migration, invasion, epithelial–mesenchymal transition (EMT), and apoptosis. Additionally, in vivo experiments using mouse models were performed to evaluate the impact of USP13 knockdown on tumor growth and metastasis. USP13 was identified as a key regulator of WISP1, stabilizing its protein levels through deubiquitination. Downregulation of USP13 resulted in reduced WISP1 protein stability, decreased cell proliferation, migration, and EMT, and increased apoptosis in vitro. In vivo, USP13 knockdown significantly inhibited tumor growth and lung metastasis. WISP1 overexpression in USP13‐knockdown cells partially rescued these phenotypes, confirming the functional role of the USP13/WISP1 axis. Furthermore, knockdown of USP13 or WISP1 impaired the activation of the Wnt/CTNNB1 signaling pathway and reduced immune checkpoint marker expression, indicating a mechanism by which USP13 promotes immune evasion in ESCC. USP13 stabilizes WISP1 through deubiquitination, enhancing ESCC progression by activating the Wnt/CTNNB1 pathway and promoting immune evasion, making USP13 a potential therapeutic target in ESCC.
Biomimetic synthesis of fluvirosaone A
Authors: Kang Gyumin , Han Sunkyu 
Published: October 2024

AbstractOver the past century, biomimetic synthesis has significantly enhanced our understanding of the biosynthetic pathways involved in the formation of natural products. In this article, we present a two‐step biomimetic synthesis of fluvirosaone A from 2,3‐dehydroallosecurinine, featuring a Nazarov‐type cyclization as the key step. Based on our synthetic results and computational analysis, we propose an alternative biosynthetic route for fluvirosaone A, identifying pyruvaldehyde as the likely source of the extraneous three carbons incorporated into the securinega skeleton.
Stretchable conducting polymer PEDOT:PSS treated with hard‐cation‐soft‐anion ionic liquid designed from molecular modeling
Authors: Lansac Yves , Choi Changwon , Jang Yun Hee 
Published: October 2024

AbstractPEDOT:PSS, an ionic polymer mixture of positively‐charged poly‐3,4‐ethylenedioxythiophene (PEDOT+) and negatively‐charged poly‐styrenesulfonate (PSS−), is a water‐processable and environmentally‐benign organic semiconductor and electrochemical transistor, which plays a key role in organic (bio)electronic devices. However, pristine PEDOT:PSS films form 10‐to‐30‐nm granular domains, where conducting‐but‐hydrophobic PEDOT‐rich cores are surrounded by hydrophilic‐but‐insulating PSS‐rich shells. Such morphology makes PEDOT:PSS water‐soluble and thermally stable but very poor in conductivity. A tremendous amount of effort has been made to enhance the conductivity of PEDOT:PSS by restoring the extended conduction network of PEDOT. Recently, remarkable ~5000‐fold improvements of conductivity have been achieved by mixing PEDOT:PSS with proper ionic liquids (ILs). In a series of free energy estimations using density functional theory calculation and molecular dynamics simulation, we have demonstrated that the classic hard‐soft acid–base (or cation‐anion) principle of chemistry plays an important role in such improvements. Ion exchange between PEDOT+:PSS− and A+:X− ILs helps PEDOT+ to decouple from PSS− and to grow into large‐scale conducting domains of π‐stacked PEDOT+ decorated by IL anions X−. Thus, the most spontaneous decoupling between soft (hydrophobic) PEDOT+ and hard (hydrophilic) PSS− would be induced by strong interaction with soft anions X− and hard cations A+, respectively. Such hard‐cation‐soft‐anion principles have led us to design ILs containing extremely hydrophilic (i.e., protic) cations and hydrophobic anions. Not only they indeed improve the conductivity of PEDOT:PSS but also enhance its stretchability as well. In summary, our modeling offered molecular‐level insights on the morphological, electrical, and mechanical properties of PEDOT:PSS and a molecular‐interaction‐based enhancement strategy for intrinsically stretchable conductive polymers.
Enantioseparation strategies for sertraline by instrumental and crystallization‐based techniques: An important issue in quality control
Authors: Kaviani Raha , Jouyban Abolghasem , Javan Mahsa , Seyfinejad Behrouz , Shayanfar Ali 
Published: October 2024

AbstractEnantiomers of a chiral active pharmaceutical ingredient (API) often exhibit different physicochemical, pharmacokinetic, and biological properties. Therefore, enantioseparation becomes a critical aspect of pharmaceutical development. Sertraline, one of the most widely prescribed antidepressant medications, requires purification from its chiral impurities, and this is recommended and essential for its quality control. This perspective highlights the current established research on the separation and quantification of sertraline's chiral impurities, with a focus on instrumental and crystallization‐based techniques.
Microfoundations of dynamic capabilities enabling scaling pathways of sustainability‐oriented innovation business models
Authors: Mehrabi Sepide , Mahdad Maral , Bijman Jos , Cholez Celia , Mesa Juan Carlos Perez , Giagnocavo Cynthia 
Published: October 2024

AbstractUsing the lens of the microfoundations of dynamic capabilities, this article sheds light on the scaling pathways (scaling up, out, and deep) of sustainability‐oriented innovation business models (SOI BMs). Empirical data from 20 small‐sized agri‐food organizations working on SOI as a core BM value proposition was collected and analyzed. We categorized microfoundations of dynamic capabilities of these organizations through multi‐layered deductive and abductive coding and a two‐level analysis and showed they are interconnected. Our results also highlight that specific microfoundations of dynamic capabilities mutually reinforce each other and collectively result in the realization of each scaling pathway. Our cross‐case analysis shows interdependence amongst scaling pathways, where the success of one is a prerequisite for another. This research offers a framework to unpack scaling pathways and provides important insights into scaling strategies and practices for developing SOI BMs, benefiting researchers, practitioners, and policymakers.