bluuebunny/crossref_metadata_2025_split huggingface dataset:
An Intelligent Intestine‐on‐a‐Chip for Rapid Screening of Probiotics with Relief‐Enteritis Function
Authors: Wu Jing , Zhang Bowei , Liu Xiaoxia , Gu Wentao , Xu Fupei , Wang Jin , Liu Qisijing , Wang Ruican , Hu Yaozhong , Liu Jingmin , Ji Xuemeng , Lv Huan , Li Xinyang , Peng Lijun , Li Xiang , Zhang Yan , Wang Shuo 
Published: September 2024

AbstractScreening probiotics with specific functions is essential for advancing probiotic research. Current screening methods primarily use animal studies or clinical trials, which are inefficient and costly in terms of time, money, and labor. An intelligent intestine‐on‐a‐chip integrating machine learning (ML) is developed to screen relief‐enteritis functional probiotics. A high‐throughput microfluidic chip combined with environment control systems provides a standardized and scalable intestinal microenvironment for multiple probiotic cocultures. An unsupervised ML‐based score analyzer is constructed to accurately, comprehensively, and efficiently evaluate interactions between 12 Bifidobacterium strains and host cells of the colitis model in the intestine‐on‐a‐chips. The most effective contender, Bifidobacterium longum 3–14, is discovered to relieve intestinal inflammation and enhance epithelial barrier function in vitro and in vivo. A distinct advantage of this strategy is that it can intelligently differentiate small therapeutic variations in probiotic strains and prioritize their efficacies, allowing for economical, efficient, accurate functional probiotics screening.
Topological Synthesis of 2D High‐Entropy Multimetallic (Oxy)hydroxide for Enhanced Lattice Oxygen Oxidation Mechanism
Authors: Liu Sijia , Jia Baorui , Wang Yong , Zhao Yongzhi , Liu Luan , Fan Fengsong , Qin Yunpu , Liu Jianfang , Jiang Yirui , Liu Hongru , Zhao Hong , Li Hao , Zhou Wenxiang , Wu Haoyang , Zhang Deyin , Qu Xuanhui , Qin Mingli 
Published: September 2024

AbstractOwing to sluggish reaction kinetics and high potential, oxygen evolution reaction (OER) electrocatalysts face a trade‐off between activity and stability. Herein, an innovative topological strategy is presented for preparing 2D multimetallic (oxy)hydroxide, including ternary CoFeZn, quaternary CoFeMnZn, and high‐entropy CoFeMnCuZn. The key to the synthesis lies in using Ca‐rich brownmillerite oxide as a precursor, which possesses inherent structural flexibility enabling tailored elemental adjustments and topologically transforms from a point‐shared structure of metal‐oxygen octahedrons into an edge‐shared structure under alkaline conditions. The presence of Zn in the catalysts causes a shift in the center of the O2p band toward the Fermi level, resulting in more Co4+ species, which drive holes into oxygen ligands to promote intramolecular oxygen coupling. The triggered lattice oxidation mechanism is identified by detecting peroxo‐like (O22−) negative species using tetramethylammonium chemical probe, along with 18O isotope labeling experiments. As a result, the catalyst demonstrates an overpotential of 267 mV at 10 mA cm−2, ranking it among the top‐performing non‐Ni‐based catalysts. Importantly, the catalysts also show high Fe‐leaching resistance during OER compared to conventional NiFe and CoFe hydroxides/(oxy)hydroxides. The assembled zinc‐air battery enables stable operation for over 225 h at a low charging voltage of 1.93 V.
Fiber Optic‐Mediated Type I Photodynamic Therapy of Brain Glioblastoma Based on an Aggregation‐Induced Emission Photosensitizer
Authors: Zhang Wenguang , Kang Miaomiao , Li Xue , Pan Yinzhen , Li Zhuorong , Zhang Yibin , Liao Changrui , Xu Gaixia , Zhang Zhijun , Tang Ben Zhong , Xu Zhourui , Wang Dong 
Published: September 2024

AbstractGlioblastoma (GBM) is one of the most lethal human malignancies. The current standard‐of‐care is highly invasive with strong toxic side effects, leading to poor prognosis and high mortality. As a safe and effective clinical approach, photodynamic therapy (PDT) has emerged as a suitable option for GBM. Nevertheless, its implementation is significantly impeded by the limits of light penetration depth and the firm reliance on oxygen. To overcome these challenges, herein, a promising strategy that harnesses a modified optical fiber and less oxygen‐dependent Type I aggregation‐induced emission (AIE) photosensitizer (PS) is developed for the first time to realize in vivo GBM treatments. The proposed AIE PS, namely TTTMN, characterized by a highly twisted molecular architecture and a bulky spacer, exhibits enhanced near‐infrared emission and strong production of hydroxyl and superoxide radicals at the aggregated state, thus affording efficient fluorescence imaging‐guided PDT once formulated into nanoparticles. The inhibition of orthotopic and subcutaneous GBM xenografts provides compelling evidence of the treatment efficacy of Type I PDT irradiated through a tumor‐inserted optical fiber. These findings highlight the substantially improved therapeutic outcomes achieved through fiber optic‐mediated Type I PDT, positioning it as a promising therapeutic modality for GBM.
Interface/Dipole Polarized Antibiotics‐Loaded Fe3O4/PB Nanoparticles for Non‐Invasive Therapy of Osteomyelitis Under Medical Microwave Irradiation
Authors: Jin Liguo , Liu Hanpeng , Wang Chaofeng , Mao Congyang , Wu Shuilin , Zhang Yu , Li Zhaoyang , Zhu Shengli , Jiang Hui , Cui Zhenduo , Zheng Yufeng , Liu Xiangmei 
Published: September 2024

AbstractDue to their poor light penetration, photothermal therapy and photodynamic therapy are ineffective in treating deep tissue infections, such as osteomyelitis caused by Staphylococcus aureus (S. aureus). Here, a microwave (MW)‐responsive magnetic targeting composite system consisting of ferric oxide (Fe3O4)/Prussian blue (PB) nanoparticles, gentamicin (Gent), and biodegradable poly(lactic‐co‐glycolic acid) (PLGA) is reported. The PLGA/Fe3O4/PB/Gent complex is used in combination with MW thermal therapy (MTT), MW dynamic therapy (MDT), and chemotherapy (CT) to treat acute osteomyelitis infected with S. aureus‐infected. The powerful antibacterial effect of the PLGA/Fe3O4/PB/Gent is determined by the synergistic effects of heat and reactive oxygen species (ROS) generation by the Fe3O4/PB nanoparticles under MW irradiation and the effective release of Gent at the infection site via magnetic targeting. The antibacterial mechanism of the PLGA/Fe3O4/PB/Gent under MW irradiation is analyzed using bacterial transcriptome RNA sequencing. The MW heat and ROS reduce the activity of the protein transporters on the bacterial membrane, along with the transport of various ions and the acceleration of phosphate metabolism, which can lead to increased permeability of the bacterial membrane, damage the ribosome and DNA, and accompany the internal protein efflux of the bacteria, thus effectively killing the bacteria.
Emerging Zinc‐Ion Capacitor Science: Compatible Principle, Design Paradigm, and Frontier Applications
Authors: Zhu Jianhui , Tai Jie , Liu Tao , Wang Yanyi , Li Yinyin , Yang Ming , Ma Dingtao , Deng Libo , Luo Jingting , Zhang Peixin 
Published: September 2024

AbstractThe development of high energy/power density and long lifespan device is always the frontier direction and attracts great research attention in the energy storage fields. Zinc‐ion capacitors (ZICs), as an integration of zinc‐ion batteries and supercapacitors, have been widely regarded as one of the viable future options for energy storage, owing to their variable system assembly method and potential performance improvement. However, the research of ZICs still locate at initial stage until now, and how to construct the suitable systems for different condition is still challenging. Herein, the recent advance in the rational design of ZICs is reviewed in order to construct related theory including compatible principle and design paradigm. It starts with a systematically summary of the fundamental theory as well as the motivation. Then, the electrode materials are classified into capacitor‐type and battery‐type based on the storage mechanism, and the design strategies and progress of these two‐type candidates are comprehensively discussed, aiming to reveal the inherent relationship between the performance of devices and the component as well as architecture of electrode materials. Beyond that, the future perspectives in this emerging field are also given, expecting to guide the construction of high‐performance ZICs for practical applications and boost its development.
Wasserstoffaktivierung mit Phenylradikal durch Protium‐ und Deuteriumtunneln
Authors: Bhagat Virinder , Meisner Jan , Wagner J. Philipp 
Published: September 2024

AbstractDie Aktivierung von molekularem Wasserstoff, H2, ist eine herausfordernde Aufgabe, die vorwiegend mithilfe von Übergangsmetallzentren in Angriff genommen wird. Reine Hauptgruppenverbindungen, die dazu in der Lage sind, wurden erst in den letzten Jahrzehnten entwickelt. Solche Verbindungen nutzen synergistische Donor‐Akzeptor‐Wechselwirkungen mit dem antibindenden σ*‐ und dem bindenden σ‐Orbital von H2. Eine alternative, radikalvermittelte Aktivierung ist problematisch, da die H−H‐Bindung stärker ist (104,2 kcal mol−1) als die meisten C−H‐Bindungen. Hier nutzen wir das Phenylradikal, um dieses Problem zu lösen, wobei Benzol mit einer C−H‐Bindungsenergie von 112,9 kcal mol−1 entsteht, wodurch eine thermodynamische Triebkraft erzeugt wird. Bei der Photolyse von Iodbenzol in einer H2‐dotierten Neonmatrix bei 4,4 K beobachten wir trotz einer Reaktionsbarriere von 7,6 kcal mol−1 hauptsächlich die Bildung eines Benzol‐HI‐Komplexes, während im Fall des schwereren D2‐Isotopologs das Phenylradikal entsteht. Wenn die D2‐Moleküle diffundieren können, bildet sich monodeuteriertes Benzol innerhalb von Stunden. Pfadintegralbasierte Instanton‐ Rechnungen ergeben, dass sich bei der Reaktion vorwiegend das transferierte Wasserstoffatom bewegt, was die Tunnelwahrscheinlichkeit stark erhöht. In guter Übereinstimmung mit dem Experiment sagen wir signifikante Reaktionsgeschwindigkeiten für beide Isotope, H2 und D2, voraus sowie einen ausgeprägten kinetischen Isotopeneffekt von bis zu vier Größenordnungen bei tiefsten Temperaturen.
Constructing Tandem Fenton‐like Reaction Systems Based on Structure Adaption to Boost Water Contaminant Mineralization Efficiency
Authors: Chen Min , Yang Tian , Lei Qiuxia , Gan Xue , Mao Shun , Zhao Hongying 
Published: September 2024

AbstractMineralization of emerging contaminants by using advanced oxidation processes (AOPs) is a desirable option to ensure water safety, but still challenged by the excessive chemical and/or energy input. Here, we conceptually proposed the tandem reaction system (TRS) of different reactive oxygen species (ROS) based on structure adaption of target contaminants. To construct a model TRS, we first realized highly selective generation of three classical ROS (1O2, HO⋅ and SO4⋅−) by peroxymonosulfate activation in an electrochemical Fenton‐like system, where three replaceable Fe‐centered cathodes were rationally designed as electronic mediator. The 1O2+SO4⋅−‐TRS exhibited nearly 100 % mineralization of sulfamethoxazole (SMX), whereas only 34.2 %, 56.2 % and 60.8 % for each of the single 1O2/HO⋅/SO4⋅−‐AOP systems. Mechanism exploration of SMX degradation in TRS evidenced that the initial reaction with 1O2 selectively destructed the sulfonamide bridge of SMX to form p‐aminobenzenesulfonic acid, which will be vulnerable to sequent SO4⋅− attack to facilitate mineralization. Successful extendibility of 1O2+SO4⋅−‐TRS to other sulfonamide antibiotics and 1O2+HO⋅‐TRS to phenolic and arylcarboxylic compounds, as well as the demonstration of 1O2+SO4⋅−‐TRS in treatment of three actual pharmaceutical wastewaters strongly support that TRS is a powerful and sustainable strategy to enhance the mineralization of emerging contaminants in water.
Comprehensive Profiling of Roquin Binding Preferences for RNA Stem‐Loops
Authors: Oberstrass Lasse , Tants Jan‐Niklas , Lichtenthaeler Chiara , Ali Sara E. , Koch Louisa , Mathews David H. , Schlundt Andreas , Weigand Julia E. 
Published: September 2024

AbstractThe cellular levels of mRNAs are controlled post‐transcriptionally by cis‐regulatory elements located in the 3’‐untranslated region. These linear or structured elements are recognized by RNA‐binding proteins (RBPs) to modulate mRNA stability. The Roquin‐1 and −2 proteins specifically recognize RNA stem‐loop motifs, the trinucleotide loop‐containing constitutive decay elements (CDEs) and the hexanucleotide loop‐containing alternative decay elements (ADEs), with their unique ROQ domain to initiate mRNA degradation. However, the RNA‐binding capacity of Roquin towards different classes of stem‐loops has not been rigorously characterized, leaving its exact binding preferences unclear. Here, we map the RNA‐binding preference of the ROQ domain at nucleotide resolution introducing sRBNS (structured RNA Bind‐n‐Seq), a customized RBNS workflow with pre‐structured RNA libraries. We found a clear preference of Roquin towards specific loop sizes and extended the consensus motifs for CDEs and ADEs. The newly identified motifs are recognized with nanomolar affinity through the canonical RNA‐ROQ interface. Using these new stem‐loop variants as blueprints, we predicted novel Roquin target mRNAs and verified the expanded target space in cells. The study demonstrates the power of high‐throughput assays including RNA structure formation for the systematic investigation of (structural) RNA‐binding preferences to comprehensively identify mRNA targets and elucidate the biological function of RBPs.
Phenyl Radical Activates Molecular Hydrogen Through Protium and Deuterium Tunneling
Authors: Bhagat Virinder , Meisner Jan , Wagner Jan Philipp 
Published: September 2024

AbstractActivating dihydrogen, H2, is a challenging endeavor typically achieved using transition metal centers. Pure main‐group compounds capable of this are rare and have emerged in recent decades. These systems rely on synergistic donor‐acceptor interactions with H2’s antibonding σ* and bonding σ orbital. An alternative (hydrocarbon) radical‐mediated activation is problematic because the H−H bond is stronger (104.2 kcal mol−1) than most C−H bonds. Here, we explore using the phenyl radical to tackle this, forming benzene with a C−H bond energy (112.9 kcal mol−1) that provides a thermodynamic driving force. We mainly observe a benzene‐HI complex upon photolysis of iodobenzene in an H2‐doped neon matrix at 4.4 K despite a barrier of 7.6 kcal mol−1, while phenyl radical forms in case of the heavier D2 isotopologue. When D2 molecules are allowed to diffuse, mono‐deuterated benzene accumulates within hours. Computations using path integral‐based instanton theory highlight that primarily the transferred hydrogen atom is moving during the reaction which greatly increases the tunneling probability. In excellent agreement with the experimental results, we predict significant tunneling rate constants for both isotopologues, H2 and D2, featuring a strong kinetic isotope effect of up to four orders of magnitude at the lowest temperatures.
Establishing the Comprehensive Structure−Activity Relationship of the Natural Antibiotic Kibdelomycin/Amycolamicin
Authors: Chen Chenglong , Yin Yuyao , Lu Panrui , Han Ting , Wang Hui , Li Chao 
Published: September 2024

AbstractKibdelomycin (KBD) and amycolamicin (AMM) are potent natural antibiotics effective against antibiotic‐resistant Gram‐positive pathogens, including vancomycin‐intermediate Staphylococcus aureus (S. aureus, VISA), methicillin‐resistant S. aureus (MRSA), and quinolone‐resistant S. aureus (QRSA). Their antibacterial activity stems from an unprecedented dual mechanism: the lower binding sites occupy the adenosine triphosphate (ATP) binding pocket of bacterial type II topoisomerases, while the upper binding sites disrupt the enzyme dimer interface. This dual action, combined with their unique chemical structures, positions KBD and AMM as promising scaffolds for developing new antibiotics. However, the structure–activity relationship (SAR) of KBD/AMM remains underexplored due to their highly complex chemical structures. In this study, we utilized total synthesis to produce KBD/AMM analogs with various site modifications and evaluated their antimicrobial activities. Our findings establish the first comprehensive SAR for KBD/AMM, paving the way for the development of novel KBD/AMM‐based antibiotics.
Novel hydrazide‐hydrazone containing 1,2,4‐triazole as potent inhibitors of antiapoptotic protein Bcl‐xL: Synthesis, biological evaluation, and docking studies
Authors: Kuran Ebru Didem , Uner Burcu , Cam Muhammet Emin , Ulusoy‐Guzeldemirci Nuray 
Published: September 2024

AbstractThis study describes the synthesis and characterization of a series of novel hydrazide‐hydrazone derivatives containing a 1,2,4‐triazole ring. The compounds were characterized using various spectroscopic techniques, such as FT‐IR, 1H‐NMR, 13C‐NMR, HRMS, and elemental analysis. The antiproliferative activity of the synthesized compounds was evaluated against a panel of human cancer cell lines (HCT‐116, HepG‐2, KLN205, LTPA, U138, and SW620) and healthy cell lines (HSkMC and iPSCs). Among the compounds tested, compounds 4, 5p, 5r, and 5s showed the highest effectiveness in inhibiting the growth of cancer cells with Bcl‐xL inhibitory concentration (IC50) values. These compounds further demonstrated selective cytotoxicity against the Bcl‐xL‐dependent lymphoma cell line (DBs). Molecular docking studies were also performed to investigate the potential binding interactions of compounds 4, 5p, 5r, and 5s with the active site of Bcl‐xL (PDB ID: 7LH7, 1.4 Å). Mechanistic studies revealed that compounds 4, 5r, and 5s induced apoptosis predominantly through the intrinsic mitochondrial pathway, while compound 5p exhibited a distinct cell cycle arrest profile, impacting both the S and G2/M phases. Western blot analysis suggested that these compounds may downregulate cyclin expression, thereby blocking its association with Bcl‐xL. Overall, these results demonstrate the potential of these novel hydrazide‐hydrazone derivatives as anticancer agents with activity comparable or superior to doxorubicin and 5‐fluorouracil.
A sustainable RP‐HPLC method for concurrent estimation of capecitabine and celecoxib in liposomal formulation: Greenness and whiteness appraisal
Authors: Shewale Rushikesh Sanjay , Gomte Shyam Sudhakar , Jain Aakanchha 
Published: September 2024

AbstractLiposomes have been reported for combination therapy due to their ability to carry both hydrophilic and lipophilic drugs together. The current investigation aims to develop a novel, eco‐friendly, and sustainable reverse‐phase high‐performance liquid chromatography (RP‐HPLC) method for the simultaneous quantification of capecitabine and celecoxib co‐encapsulated in liposomes. The method reported herein uses a C18 column (4.6 × 250 mm2, 5 μm) and a mobile phase consisting of water, and acetonitrile/methanol in a ratio of 60:40, containing 0.1% formic acid in both the phases. The flow rate is maintained at 1 mL/min, with an injection volume of 10 μL in the gradient mode. Detection is set at λmax = 240 nm for capecitabine and 252 nm for celecoxib. The developed liposomes are mono‐disperse with a surface potential of −6.93 mV. The average size of the liposomes is 142 nm. The percentage entrapment efficiency for capecitabine is 52.39 ± 0.94%, and for celecoxib, it is 77.13 ± 0.74%. The Analytical Greenness Metric of 0.61 and Analytical Eco‐Scale Score of 75 signify the greenness of the developed method. Also, the Red‐Green‐Blue model shows excellent whiteness, with a score of 83.2. Thus, the developed method offers a reliable, accurate, precise, buffer‐free, and environment‐friendly RP‐HPLC approach for the simultaneous analysis of capecitabine and celecoxib co‐encapsulated in liposomes.
Impact of IgG Fc Glycosylation on Disease Dynamics in Patients With Primary Sjögren Disease
Authors: Achten Helena , Meuris Leander , Deroo Liselotte , Jarlborg Matthias , Decruy Tine , Deprez Joke , Dumas Emilie , De Boeck Kristel , Genbrugge Eva , Bauters Wouter , Dochy Frederick , Creytens David , Roels Dimitri , Callewaert Nico , Elewaut Dirk , Peene Isabelle 
Published: September 2024

ObjectiveGlycans attached to the Fc region of IgG antibodies influence their pro‐ or anti‐inflammatory effector function. We aimed to explore the interrelation of the Fc glycosylation profile and disease transition, disease activity, and outcome in patients with suspected and confirmed primary Sjögren disease (SjD).MethodsIgG Fc sialylation and IgG Fc galactosylation serum levels were determined in 300 patients from the Belgian Sjögren's Syndrome Transition Trial. This cohort includes both suspected and confirmed patients with SjD meeting the 2016 American College of Rheumatology/EULAR criteria. Salivary gland involvement was evaluated through ultrasonography (Hocevar score 0–48) and histopathology (focus score). The relative amount of sialylated and galactosylated IgG was determined by capillary electrophoresis after using the endoglycosidase S‐based assay.ResultsPatients with SjD exhibited significantly lower sialylation and galactosylation levels versus asymptomatic carriers of anti‐SSA and patients with sicca. Lower sialylation and galactosylation levels were significantly associated with an increase in B cell activation markers and distinct autoantibody profiles, particularly with multiple autoantibody reactivities. They were also linked to histopathological salivary gland alterations, higher Hocevar scores, and, importantly, risk factors for non‐Hodgkin lymphoma (NHL) development. In contrast, patients with SjD who were mono‐anti‐Ro60 positive and those who were anti‐SSA negative had normal IgG Fc glycosylation.ConclusionThis study points to a novel role of IgG Fc glycosylation in patients with SjD in predicting disease transition, monitoring disease activity, and stratifying risk of NHL development.image
Therapeutic potential of Shaoyao Gancao Decoction in mitigating anti‐tuberculosis drug‐induced liver injury through Nrf‐2/HO‐1/NF‐κB signaling
Authors: Zhang Huan , Ma Lihua , Li Sisi , Ding Qiaoyan , Zhang Yu , Zhou Ming 
Published: September 2024

AbstractTuberculosis (TB) is a persistent global health issue, evidenced by an increasing number of cases. Although anti‐TB drugs have proven efficacy, they are often associated with severe liver injury (ATB‐DILI). The objective of this research was to uncover the mechanisms through which Shaoyao Gancao Decoction (SGD) mitigates ATB‐DILI, emphasizing the role of the Nrf‐2/HO‐1/NF‐κB signaling pathway. We prepared SGD granules and subjected them to HPLC‐MS/MS for analysis. An ATB‐DILI rat model was then developed and administered SGD. We evaluated liver injury markers, the extent of oxidative stress, inflammation, and the principal proteins involved in the Nrf‐2/HO‐1/NF‐κB pathway. Additionally, network pharmacology techniques were utilized to discern potential SGD targets and their associated pathways. Administering SGD had a notable effect in counteracting the elevation of liver injury markers and pathological alterations induced by ATB‐DILI. Moreover, there was a marked reduction in oxidative stress and inflammation in the treated rats. We identified 12 active compounds in SGD, with 88 shared targets between SGD and ATB‐DILI. Subsequent KEGG analysis brought attention to pathways like MAPK, NF‐κB, and IL‐17 signaling. Our findings pave the way for more in‐depth studies into the application of SGD in treating drug‐induced liver injuries.