bluuebunny/crossref_metadata_2025 huggingface dataset:
Pyrrolizwillin, ein Einzigartiges Bakterielles Alkaloid, Gebildet durch eine Kombination aus Nichtribosomaler Peptidsynthetase und nicht‐Enzymatischer Dimerisierung
Authors: Effert Juliana , Westphalen Margaretha , Calderari Andrea , Shi Yi‐Ming , Elamri Isam , Najah Soumaya , Grün Peter , Li Yanyan , Gruez Arnaud , Weissman Kira J. , Bode Helge B.
Published: October 2024

Pyrrolizidinalkaloide (PAs) sind eine strukturell vielfältige Gruppe spezialisierter heterocyclischer Metabolite, die durch eine Hexahydro‐1H‐pyrrolizin‐Kernstruktur charakterisiert werden. PAs werden über zwei unterschiedliche Biosynthesewege gebildet. In Pflanzen werden sie durch eine Homospermidinsynthase synthetisiert, während sie in Bakterien durch die kombinierte Wirkung einer nichtribosomalen Peptidsynthetase und einer Baeyer–Villiger‐Monooxygenase entstehen. Während die toxischen Eigenschaften pflanzlicher PAs und ihr Vorkommen in tierischen und menschlichen Lebensmitteln umfassend untersucht wurden, sind die biologischen Funktionen und die Biosynthese komplexerer bakterieller PAs noch nicht gut verstanden. Hier berichten wir über die Identifizierung und Charakterisierung eines bakteriellen Biosynthese‐Genclusters aus Xenorhabdus hominickii, xhpA‐G, das für die Produktion des PA‐Pseudodimers Pyrrolizwillin verantwortlich ist. Die Analyse von Promotor‐Austauschmutanten aus X. hominickii zusammen mit der heterologen Expression von xhpA‐G in E. coli ergab eine Reihe von Derivaten und Zwischenprodukten, von denen zwei chemisch synthetisiert wurden. Diese Informationen wurden genutzt, um einen detaillierten Biosyntheseweg zu Pyrrolizwillin zu postulieren. Darüber hinaus haben wir die Hydrolase XhpG, das Schlüsselenzym bei der Umwandlung des Zwischenprodukts Pyrrolizixenamid zu Pyrrolizwillin, mittels Röntgenkristallographie und Kleinwinkel‐Röntgenstreuung (SAXS) charakterisiert.
Second Generation Zwitterionic Aza‐Diarylethene: Photoreversible CN Bond Formation, Three‐State Photoswitching, Thermal Energy Release, and Facile Photoinitiation of Polymerization
Authors: Sacherer Maximilian , Dube Henry
Published: October 2024

Diarylethenes are a well‐studied and optimized class of photoswitches with a wide range of applications, including data storage, smart materials, or photocontrolled catalysis and biological processes. Most recently, aza‐diarylethenes have been developed in which carbon‐carbon bond connections are replaced by carbon‐nitrogen connections. This structural elaboration opens up an entire new structure and property space expanding the versatility and applicability of diarylethenes. In this work, we present the second generation of zwitterionic aza‐diarylethenes, which finally allows for fully reversible photoswitching and precise control over all three switching states. High‐yielding photoswitching between the neutral open form and a zwitterionic Z isomer is achieved with two different wavelengths of light. The third zwitterionic E isomeric state can be reached in up to 87 % upon irradiation with a third wavelength. Its high energy content of >10 kcal/mol can be released thermally by deliberate solvent change as trigger mechanism, rendering aza‐diarylethenes into interesting candidates for molecular solar thermal energy storage (MOST) applications. The third state also serves as locking state, allowing to toggle light‐responsiveness reversibly between thermally labile and thermally stable switching. Further, irradiation of the zwitterionic states leads to highly efficient photopolymerization of methyl acrylate (MA), directly harnessing the unleashed chemical reactivity of our aza‐diarylethene in a materials application.
Reversible Hydrogen Acceptor–Donor Enables Relay Mechanism for Nitrate‐to‐Ammonia Electrocatalysis
Authors: Li Yuefei , Liu Ye , Zhang Mingkai , Li Linsen , Jiang Zhao , Han Bingying , Wang Baojun , Li Jiayuan
Published: October 2024

Electrocatalytic nitrate reduction is a crucial process for sustainable ammonia production. However, to maximize ammonia yield efficiency, this technology inevitably operates at the potentials more negative than 0 V vs. RHE, leading to high energy consumption and competitive hydrogen evolution. To eradicate this issue, hydrogen tungsten bronze (HxWO3) as reversible hydrogen donor‐acceptor is partnered with copper (Cu) to enable a relay mechanism at potentials positive than 0 V vs. RHE, which involves rapid intercalation of H into HxWO3 lattice, prompt de‐intercalation of the lattice H and transfer onto Cu, and spontaneous H‐mediated nitrate‐to‐ammonia conversion on Cu. The resulting catalysts demonstrated a high ammonia yield rate of 3332.9±34.1 mmol gcat−1 h−1 and a Faraday efficiency of ~100 % at 0.10 V vs. RHE, displaying a record‐low estimated energy consumption of 17.6 kWh kgammonia−1. Using these catalysts, we achieve continuous ammonia production in an enlarged flow cell at a real energy consumption of 17.0 kWh kgammonia−1.
High Configuration Entropy Promises Electrochemical Stability of Chloride Electrolytes for High‐Energy, Long‐Life All‐Solid‐State Batteries
Authors: Li Deyuan , Yu Dongfang , Zhang Guangwen , Du Ao , Ye Zilin , Jia Yiran , Hou Weiqi , Xu Tianze , Li Fangbing , Chi Sijia , Zhu Yizhou , Yang Chunpeng
Published: October 2024

Solid‐state electrolytes (SSEs) with high ionic conductivity, stability, and interface compatibility are indispensable for high‐energy‐density and long‐life all‐solid‐state batteries (ASSBs), yet there are scarce SSEs with sufficient ionic conductivity and electrochemical stability. In this study, with a high‐entropy SSE (HE‐SSE, Li2.9In0.75Zr0.1Sc0.05Er0.05Y0.05Cl6), we show the high configuration entropy has a thermodynamically positive relationship with the high‐voltage stability. As a result, the ASSBs with HE‐SSE and high‐voltage cathode materials exhibit superior high‐voltage and long‐cycle stability, achieving 250 cycles with 81.4 % capacity retention when charged to 4.8 V (vs. Li+/Li), and even 5000 cycles if charged to 4.6 V (vs. Li+/Li). Experimental characterizations and density functional theory calculations confirm that the HE‐SSE greatly suppresses the high‐voltage degradation of SSE at the interface, promoting the high‐voltage stability coordinately through high entropy and interface stability. The high entropy design offers a general strategy to simultaneously improve the high‐voltage stability and ionic conductivity of SSEs, creating an avenue to building high‐energy and long‐life ASSBs.
Harnessing the Reactivity of Nitroarene Radical Anions to Create Quinoline N‐Oxides by Electrochemical Reductive Cyclization
Authors: Zhu Haoran , Powell Jair N. , Geldchen Victoria A. , Drumheller Adam S. , Driver Tom G.
Published: October 2024

Electrochemical reduction of 2‐allyl‐substituted nitroarenes using a simple, undivided electrochemical cell with non‐precious electrodes to generate nitroarene radical anions was developed. The nitroarene radical anion intermediates participate in 1,5‐hydrogen atom transfer reactions to construct quinoline N‐oxides bearing aryl‐, heteroaryl‐, alkenyl‐, benzyl‐, sulfonyl‐, or carboxyl groups.
Self‐Powered Wearable Pressure Sensors for Detection and Separation of Signals for Various Human Movements
Authors: Momin Md. Abdul , Jazini Mahdi , Jellur Rahman Mohammad , Mieno Tetsu
Published: October 2024

A detailed study on the dynamic response of mountable pressure sensors is presented, with a focus on foot pressure sensors integrated with carbon nanotube (CNT)‐coated cotton fibers. The research explores the sensor‘s sensitivity to pressure changes, repeatability, hysteresis, and durability through rigorous modeling and experimental validation. Computational simulations using Python (NumPy library) and experimental data demonstrate the sensor‘s nonlinear conductance response to applied force, attributed to the varying contact area and number of contact points among the fibers. Long‐term outdoor exposure tests confirm the material‘s resilience to environmental stressors, maintaining its electrical conductivity and structural integrity. The study also investigates the sensor‘s capability to monitor human activities, such as walking, running, stair climbing, and jumping, by analyzing force profiles and step rates. Additionally, the sensors effectively detect muscle movements during swallowing, coughing, and speech, with potential applications in health monitoring and artificial voice synthesis. The Minimum Redundancy Maximum Relevance (MRMR) algorithm is utilized to implement feature selection methods aimed at distinguishing between various activities, thereby demonstrating the sensor‘s potential for activity recognition. An estimation of harvested electric power using a piezoelectric sensor on the pressure sensors has been done, which can provide power to the different wearable devices attached to our body. This work contributes to the advancement of self‐powered wearable pressure sensors to monitor real‐time human activity, with implications for healthcare, sports performance, and assistive technologies.
Outstanding Activity and Durability of Supported NiCo2O4 Nanoparticles for Direct Ethanol Fuel Cells
Authors: Afify Donia G. , Hameed R. M. Abdel , Mohamed Aya M. , Ghayad Ibrahim M.
Published: October 2024

The rational design of noble metal‐free electrocatalysts represents one of the basic stones for fuel cell development. With the exploration of eco‐friendly nanomaterials for the investigated alcohol oxidation process, nickel‐based electrodes have been recognized as the most auspicious anodes with promoted activity and stability. In this work, a series of NiCo2O4 nanoparticles were deposited onto graphite sheets (NiCo2O4/T) introducing varied proportions of cobalt oxide species. Co‐precipitation protocol of the respective metallic hydroxides onto the carbonaceous support was followed with consecutive annealing in an air atmosphere at 400°C. The fabricated mixed metallic oxide nanopowder was physically studied using X‐ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X‐ray analysis (EDX), X‐ray photoelectron spectroscopy (XPS), and selected area electron diffraction (SAED). Uniformly arranged nanoparticles were observed on graphite surface as evidenced by SEM and TEM. The cubic lattice structure of formed NiCo2O4 crystals was also confirmed by XRD through the defined peaks of binary metallic oxides clarifying their successful preparation scheme. The electrocatalytic properties of these NiCo2O4/T nanocatalysts were evaluated for oxidizing ethanol molecules in basic solution. Pronounced oxidation current densities were remarkably measured at NiCo2O4/T electrodes in relation to that at NiO/T. Differing the introduced cobalt oxide content into the synthesized nanocatalyst significantly controlled its catalytic performance. NiCo2O4/T‐20 exhibited the highest activity and stability among the prepared nanomaterials. Much decreased charge transfer resistances were also recorded at this electrode demonstrating its promoted electron transfer characteristics. This work could provide a reasonable route for the simple synthesis of comparable transition metallic oxides with promising attitudes for energy generation purposes.
Recent Updates on Pd‐Incorporated Ionic Liquids Catalyzed Suzuki Cross‐Coupling Reaction: A Mini‐Review
Authors: Imeer Ali Thoulfikar A. , Kadhum Abdul Amir H. , Ahmed Suzan Duraid , Al‐Bahrani Hussein Ali , Mhaibes Raed Muslim , Shu Guang
Published: October 2024

Ionic liquids (ILs) have been recognized for their potential as environmentally friendly solvents when compared to traditional organic solvents. Additionally, their function goes beyond that of solvents, and cocatalysts, as they frequently act as stabilizing agents and ligands for the metal‐active species and intermediates in catalytic systems. This comprehensive review primarily focuses on the application of Pd‐incorporated ILs in catalyzing cross‐coupling Suzuki reactions. The responses play a vital role in creating a wide range of structurally diverse and highly functionalized organic compounds, focusing specifically on nucleopalladation Suzuki coupling reactions. The review provides a detailed summary of the reaction conditions, stereoselectivity and regioselectivity, and the underlying mechanisms. Furthermore, it underscores crucial and characteristic illustrations, displaying the practical implementations of these coupling reactions. The aim of this review is to stimulate further research efforts, with the ultimate goal of expanding our understanding and utilization of ILs in various fields in the future.
Synthesis and Spectral Studies of New Azomethine Metal Complexes With Biological Activity and Docking Studies Utilizing 3‐Methylpyridin‐2‐Amine as a Complexing Agent
Authors: Hazarathaiah Yadav C. , Gosu Nageswara Reddy , Lavanya D. , Losetty Venkatramana
Published: October 2024

The novel Schiff base, (Z)‐2‐(1‐((3‐methylpyridin‐2‐yl)imino)ethyl)phenol (HL), was synthesized by reacting 1‐(2‐hydroxyphenyl)ethanone with 3‐methylpyridin‐2‐amine. Metal complexes [M (L)n (H2O)2] (M = Co and Cu, n = 2) were synthesized and characterized utilizing various analytical techniques including UV–visible spectroscopy, FTIR, elemental analysis, molar conductance, 1H NMR, thermal analysis, and magnetic moment measurement. The findings indicated that the Co+2 and Cu+2 complexes exhibited octahedral geometries. In vitro biological activity testing was conducted to evaluate the antimicrobial potential of the complexes against Bacillus subtilis (B. subtilis) and Escherichia coli (E. coli) bacteria strains. Similarly, molecular docking was conducted to elucidate the interactions between the active sites of protein–metal complexes and dihydrofolate reductase as well as ferrochelatase.
Lignin‐based nitrogen and phosphorus‐containing polylactic acid with flame‐retardant performances
Authors: Zhang Guixin , Weng Shuxian , Wang Jie , Kou Zhimin , Liu Meiting , Zhu Guoqiang , Hu Lihong , Zhou Yonghong
Published: October 2024

Polylactic acid (PLA) is a new type of biodegradable material that has been applied in many fields such as extrusion, injection molding, film drawing, and spinning. In contrary, it does not have flame retardancy. In this paper, N‐PCDL was synthesized by amidation reaction between COOH of PCDL and NH2 of tetraethylenepentamine (TEPA), followed by an Atherton‐Todd reaction of unreacted NH2 at the other end of TEPA with PH of DOPO to prepare a novel lignin‐based flame retardant containing nitrogen and phosphorus (NP‐PCDL). The Fourier transform infrared spectroscopy (FT‐IR) and nuclear magnetic hydrogen spectroscopy (1H NMR) analysis results showed that proton peaks of CONH, PN, and NH appeared in the NP‐PCDL spectrum, while the characteristic absorption peak of PH bond disappeared in DOPO, the X‐ray photoelectron spectroscopy (XPS) results showed that the degraded lignin consisted of elements C and O, while NP‐PCDL consisted of elements C, O, N and P. The above results indicated that NP‐PCDL was successfully prepared. NP‐PCDL accounted for 3% (mass percentage, the same below), 5% and 10% of PLA, then lignin based flame‐retardant PLA composites were prepared by internal mixing and injection molding. Thermogravimetric analysis (TGA) showed that the residual carbon of PLA/3% NP‐PCDL, PLA/5% NP‐PCDL and PLA/10% NP‐PCDL at 800°C were higher than that of pure PLA, with the increase of 56.56%, 97.54%, and 301.64%, respectively; The analysis of SEM, XPS, and Raman showed that PLA/NP‐PCDL formed dense, regular and highly graphitized residual carbon with phosphorus nitrogen structure during the combustion process. At the same time, NH3, H2O and PO˙ free radicals were released, which could dilute combustible gases, destroy free radical chain reaction, isolate combustible gases and heat, so as to play a flame‐retardant role.
Second‐degree burns treatment: Preclinical in vivo approaches using natural latex rubber containing Aloe vera extract
Authors: de Carvalho Filipe Feitosa , Quevedo Bruna V. , Goldenberg Julia Alice Cavecchioli , Munhoz Gabriella Di Cunto Alonso , Menezes Gabriella Zaccarelli Ferreira , da Silva Lucas Camargo Soares Carvalho , Rocha Thalita , de Rezende Duek Eliana Aparecida , Komatsu Daniel , de Alencar Hausen Moema , Randazzo‐Moura Priscila
Published: October 2024

Natural rubber latex (NRL) obtained from Hevea brasiliensis is emerging as a viable and economical alternative for biomedical treatments, particularly for dermal injuries. Its effectiveness is enhanced when combined with bioactive molecules, such as those found in Aloe vera (AV), known for their healing properties and are commonly used in low‐cost wound healing therapies. Thus, this study evaluated the physicochemical and biological properties of NRL incorporated with 25%, 35%, and 50% AV, both in vitro and in vivo. FTIR analyses revealed only physical interactions between NRL and AV, facilitating their release, as evidenced by the release profile. In vitro assays indicated improved biocompatibility in samples composed of 25% and 35% AV, while complete cell death occurred at 50% AV. Histological evaluations of second‐degree burn models in rats showed greater re‐epithelialization of the epidermis with 35% AV after 14 days of treatment. However, 50% AV highlighted the importance of avoiding overdosing to prevent tissue necrosis. Despite the differences observed between in vitro and in vivo results, NRL membranes containing AV are a promising approach for future clinical trials in skin wounds treatment, offering an effective and affordable solutions for skin regeneration in clinical settings.
Study on foaming behavior of block copolymer/inorganic particles co‐construction of toughened epoxy resin foams
Authors: Zhou Taineng , Yu Caili , Yang Le , Liu Wei , Jiang Tuanhui , Zeng Xiangbu , Shen Kuanchun , Jin Bo , Zhang Chun , He Li
Published: October 2024

Low toughness and brittleness limit its application range of thermosetting epoxy resin (EP) based foams. In current research, inorganic particles are commonly utilized as heterogeneous nucleating agents to enhance foaming quality and EP toughness. However, the increasing inorganic particle content usually leads to particle agglomeration, which negatively impacts foaming quality and reduces EP performance. Block copolymers, which appear as liquid to effectively mitigate agglomeration, are employed as toughening materials for EP. In this study, a small number of modified calcium silicate particles (MCS) were used as anchor points to induce the distribution of block copolymers (P‐F68) to improve EP toughness and effectively enhance cell nucleation, thus, EP/MCS/P‐F68 foams performance was improved. The research results showed that EP foams obtained excellent cell structure and very small foam density (0.256 g/cm3) at the P‐F68 content of 10 wt%. The continuous increase of P‐F68 content would lead to the thickening of cell wall and the increase of cell size. Simultaneously, the core‐shell structure formed by P‐F68 in EP effectively enhanced the toughness of EP foams and mitigated its brittleness, offering crucial theoretical guidance for toughening and regulating the cell structure of EP foams.
Tailoring convolutional neural networks for custom botanical data
Authors: Sykes Jamie R. , Denby Katherine J. , Franks Daniel W.
Published: October 2024

Premise

Automated disease, weed, and crop classification with computer vision will be invaluable in the future of agriculture. However, existing model architectures like ResNet, EfficientNet, and ConvNeXt often underperform on smaller, specialised datasets typical of such projects.

Methods

We address this gap with informed data collection and the development of a new convolutional neural network architecture, PhytNet. Utilising a novel dataset of infrared cocoa tree images, we demonstrate PhytNet's development and compare its performance with existing architectures. Data collection was informed by spectroscopy data, which provided useful insights into the spectral characteristics of cocoa trees. Cocoa was chosen as a focal species due to the diverse pathology of its diseases, which pose significant challenges for detection.

Results

ResNet18 showed some signs of overfitting, while EfficientNet variants showed distinct signs of overfitting. By contrast, PhytNet displayed excellent attention to relevant features, almost no overfitting, and an exceptionally low computation cost of 1.19 GFLOPS.

Conclusions

We show that PhytNet is a promising candidate for rapid disease or plant classification and for precise localisation of disease symptoms for autonomous systems. We also show that the most informative light spectra for detecting cocoa disease are outside the visible spectrum and that efforts to detect disease in cocoa should be focused on local symptoms, rather than the systemic effects of disease.
Effects and phenotypic consequences of transient thyrotoxicosis and hypothyroidism at different stages of zebrafish Danio rerio (Teleostei; Cyprinidae) skeleton development
Authors: Borisov Vasily , Shkil Fedor
Published: October 2024

The effects and consequences of changes in thyroid hormones (THs) level are among the actively studied topics in teleost developmental and evolutionary biology. In most of the experimental models used, the altered hormonal status (either hypo‐ or hyperthyroidism) is a stable characteristic of the developing organism, and the observed phenotypic outcomes are the cumulative consequences of multiple TH‐induced developmental changes. Meanwhile, the influence of the transient fluctuations of TH content on skeleton development has been much less studied. Here, we present experimental data on the developmental effects and phenotypic consequences of transient, pharmacologically induced thyrotoxicosis and hypothyroidism at different stages of ossified skeleton patterning in zebrafish. According to the results, the skeleton structures differed in TH sensitivity. Some showed a notable shift in the developmental timing and rate, while other demonstrated little or no response to changes in TH content. The developmental stages also differed in TH sensitivity. We identified a relatively short developmental period, during which changes in TH level significantly increased the developmental instability and plasticity, leading to phenotypic consequences comparable to those in fish with a persistent hypo‐ or hyperthyroidism. These findings allow this period to be considered as a critical developmental window.
Neutrophil Activation Markers and Rheumatoid Arthritis Treatment Response to the JAK1/2 Inhibitor Baricitinib
Authors: Kuley Runa , Duvvuri Bhargavi , Hasnain Sabeeha , Dow Ernst R. , Koch Alisa E. , Higgs Richard E. , Krishnan Venkatesh , Lood Christian
Published: October 2024

Objective

Neutrophils play an important role in regulating immune and inflammatory responses in patients with rheumatoid arthritis (RA). We assessed whether baricitinib, a JAK1/JAK2 inhibitor, could reduce neutrophil activation and whether a neutrophil activation score could predict treatment response.

Methods

Markers of neutrophil activation, calprotectin, and neutrophil extracellular traps (NETs) were analyzed using enzyme‐linked immunosorbent assay in plasma from patients with RA (n = 271) and healthy controls (n = 39). For patients with RA, neutrophil activation markers were measured at baseline, 12 weeks, and 24 weeks after receiving placebo and 2 and 4 mg baricitinib. Whole‐blood RNA analyses from multiple randomized baricitinib RA trials were performed to study neutrophil‐related transcripts (n = 1,651).

Results

Baseline levels of plasma neutrophil markers were elevated in patients with RA compared to healthy controls (P < 0.001). Receiving baricitinib reduced levels of soluble calprotectin at 12 and 24 weeks, especially in patients with RA responding to treatment, as determined by American College of Rheumatology 20% improvement criteria. Whole‐blood RNA analysis revealed similar changes in the predominant neutrophil markers calprotectin and Fcα receptor I upon reception of baricitinib in three randomized clinical trials involving patients with at various stages of disease‐modifying therapy. Clustering analysis of plasma activation markers showed elevated levels of calprotectin and NETs (eg, a neutrophil activation score, at baseline, could predict treatment response to baricitinib). In contrast, C‐reactive protein levels could not distinguish between responders and nonresponders.

Conclusion

Neutrophil activation markers may add clinical value in predicting treatment response to baricitinib and other drugs targeting RA. This study supports personalized medicine in treating patients with RA, not only based on symptoms but also based on immunophenotyping.
Alkaline Synthesis of Pure Silica ITH Zeolite for Vapor Phase Beckmann Rearrangement of Cyclohexanone Oxime
Authors: Luan Huimin , Zai Tianming , Wu Qinming , Meng Xiangju , Wu Jianping , Liu Weiliao , Sheng Na , Wang Han , Xiao Feng‐Shou
Published: October 2024

Pure silica ITH zeolite is normally synthesized under neutral or acidic conditions in the presence of HF, but it is challenging for synthesis of this zeolite under alkaline conditions. In this work, it is successful for alkaline synthesis of pure silica ITH in the absence of HF using a designed organic template containing F species, showing that the sample obtained has high crystallinity associated with ITH structure, nanosheet morphology, and rich silanol nests. Very importantly, this ITH zeolite exhibited better performance in vapor phase Beckmann rearrangement of cyclohexanone oxime than that of Silicalite‐1 zeolite, one of the best catalysts for this reaction. This work might offer a new opportunity for preparation of pure silica zeolites as efficient catalysts in the Beckmann rearrangement in the future.
Producing aromatic‐rich oil through microwave‐assisted catalytic pyrolysis of low‐density polyethylene over Ni/Co/Cu‐doped Ga/ZSM‐5 catalysts
Authors: Islam K. M. Oajedul , Ahmad Nabeel , Ahmed Usama , Siddiqui Mohammad Nahid , Ummer Aniz Chennampilly , Abdul Jameel Abdul Gani
Published: October 2024

Microwave (MW)‐assisted catalytic pyrolysis represents a promising method for transforming petroleum‐based plastic waste into valuable chemicals, offering a pathway towards more sustainable circular economy. In this study, catalytic pyrolysis of low‐density polyethylene (LDPE) was conducted under MW irradiation. The influence of various catalyst types (HZSM‐5, Ga/ZSM‐5, Ga/Ni/ZSM‐5, Ga/Co/ZSM‐5, and Ga/Cu/ZSM‐5) on product yield and distribution was examined. The results revealed that the Ga/ZSM‐5 catalyst yielded the maximum liquid oil, approximately 41%. Ga/Ni/ZSM‐5 performed excellently in the production of long‐chain olefins, constituting about 27% of the liquid fraction. However, Ga/Co/ZSM‐5 led to the production of heavy pyrolysis oil containing nearly 25% long‐chain paraffins, rendering it unsuitable for producing high‐value chemicals. Conversely, the Ga/Cu/ZSM‐5 catalyst yielded an aromatic‐rich pyrolysis oil, with benzene derivatives constituting approximately 90% of the liquid oil fraction, thus proving to be a suitable catalyst for the intended application. The liquid product distribution was compared with a petroleum assay by SimDist, and this suggested that utilizing the HZSM‐5 catalyst could yield an 86.4% naphtha fraction. The study also revealed that the Ga/Cu/ZSM‐5 catalyst generated the largest amounts of hydrogen and syngas, as determined by a MicroGC analysis of the gas products. This catalyst also exhibited the maximum coke deposition (1.35%) postreaction, which was attributed to its high aromatic hydrocarbon content in the pyrolysis oil and maximal hydrogen release. A comparison of fresh and spent catalyst properties was conducted to gain insights into catalyst activity and to correlate the effects of metal doping on product distribution. These findings underscore the potential of MW‐assisted catalytic pyrolysis, particularly with the Ga/Cu/ZSM‐5 catalyst, for the efficient conversion of plastic waste into valuable chemicals, thereby contributing to sustainable resource utilization and environmental conservation.
CXC chemokine receptor 4 ‐ mediated immune modulation and tumor microenvironment heterogeneity in gastric cancer: Utilizing multi‐omics approaches to identify potential therapeutic targets
Authors: Tang Jing , Wei Wei , Xu Yaoqing , Chen Kexin , Miao Yaping , Fan Weining , Huang Zhi , Liu Jie , Chen Ping , Luo Honghao , Wang Lexin
Published: October 2024

G‐protein‐coupled receptors (GPRs) are critical regulators of various biological behaviors, and their role in gastric cancer (GC) progression is gaining increasing attention. Among them, the immune regulatory mechanisms mediated by chemokine receptor 4 (CXCR4) remain insufficiently understood. This study aims to explore the immune regulatory functions of CXCR4 and the heterogeneity of the tumor microenvironment (TME) by examining GPR‐related gene expression in GC. Through multi‐omics approaches, including spatial transcriptomics and single‐cell RNA sequencing, we investigated the oncogenic mechanisms of CXCR4, particularly its role in T cell immune exhaustion. In vitro experiments, including ELISA, PCR, CCK8 assays, cell scratch assays, and colony formation assays, were used to validate the role of CXCR4 in the migration and invasion of AGS and SNU‐1 cell lines. CXCR4 silencing using siRNA further demonstrated its regulatory effects on these cellular processes. Our results revealed a strong correlation between elevated CXCR4 expression and increased exhaustion of regulatory T cells (Tregs) in the TME. Furthermore, heightened CXCR4 expression was linked to increased TME heterogeneity, driven by oxidative stress and activation of the NF‐κB pathway, promoting immune evasion and tumor progression. Silencing CXCR4 significantly inhibited the invasive and proliferative abilities of AGS and SNU‐1 cells, while also reducing the expression of pro‐inflammatory cytokines IL‐1β and interleukin‐6, thus alleviating chronic inflammation and improving TME conditions. In conclusion, our comprehensive investigation highlights CXCR4 as a key mediator of TME dynamics and immune modulation in GC. Targeting CXCR4 presents a promising therapeutic strategy to slow tumor progression by reducing Tregs‐mediated immune exhaustion and TME heterogeneity, positioning it as a novel therapeutic target in GC treatment.
Delphinidin or α‐amyrin attenuated liver steatosis and metabolic disarrangement in rats fed a high‐fat diet
Authors: Ali Bassam Mohamed , Elbaz Eman M. , Al‐Mokaddem Asmaa K. , El‐Emam Soad Z. , Awny Magdy M.
Published: October 2024

Non‐alcoholic fatty liver disease (NAFLD) is a liver pathology concomitant with metabolic disarrangement. This study assessed the therapeutic impacts of delphinidin, an anthocyanin, or α‐amyrin, a pentacyclic triterpenoid, on NAFLD in rats and the underlying mechanisms involved. NAFLD was established by feeding a high‐fat diet (HFD) for 10 weeks, either alone or in combination with delphinidin (40 mg/kg, oral) or α‐amyrin (20 mg/kg, oral). Delphinidin or α‐amyrin ameliorated the metabolic and histopathological perturbations induced by HFD. These compounds markedly attenuated NAFLD‐induced hepatic steatosis, as evidenced by a substantial decrease in body weight, insulin resistance, and liver and adipose tissue indices. Alongside normalization of the atherogenic index, both improved HFD‐mediated abnormalities in serum lipids, liver enzymes, leptin, and ghrelin levels. Moreover, their intervention activated the NFE2 like bZIP transcription factor 2 and heme oxygenase 1 pathways and abrogated HFD‐triggered activation of mitogen‐activated protein kinase 1 signaling. These remedies inhibited hepatic apoptosis and modulated the gene expression of lipogenic enzymes. Furthermore, histological analysis corroborated the suppression of lipid accumulation and amelioration of hepatic architecture in the treated rats. Our findings highlight the hepatoprotective value of delphinidin or α‐amyrin against NAFLD and related metabolic diseases through their insulin‐sensitizing, anti‐inflammatory, antioxidant, and antiapoptotic effects.
CH25H Promotes Autophagy and Regulates the Malignant Progression of Laryngeal Squamous Cell Carcinoma Through the PI3K‐AKT Pathway
Authors: Xiang Zhenfei , Yu Senquan , Xu Yuxin , Xiong Huacai , Hu Danfei , Li Qun , Wu Zhenhua
Published: October 2024

Background

Laryngeal squamous cell carcinoma (LSCC) is a type of cancer of the respiratory tract that often presents with subtle symptoms at the early stage and is susceptible to recurrence and metastasis.

Materials and Methods

To find out key regulatory genes involved in LSCC development, we downloaded LSCC‐related sequencing datasets for bioinformatics analysis. WGCNA was performed on GSE142083 and differential analysis was conducted on GSE51985 and TCGA‐HNSC. Intersection genes were taken from the above three datasets. To confirm the function of genes, we overexpressed and knocked down genes in cells and treated them with autophagy agonist Rapamycin and PI3K‐AKT pathway inhibitor. At the cellular level, the expression of CH25H, autophagy‐related proteins (LC3 I, LC3 II, p62, and Beclin 1), and PI3K‐AKT pathway‐related proteins (PI3K, AKT, and p‐AKT) were assessed via Western blot; the mRNA level of CH25H was evaluated through qRT‐PCR; the cell activity was examined by CCK8; the apoptosis was assessed through flow cytometry; and the cell migration and invasion were assessed through wound healing and Transwell assays.

Results

Through bioinformatics analysis, we screened 7 genes (CH25H, NELL2, STC2, TMEM158, ZIC2, HOXD11, and HOXD10). Ultimately, CH25H was selected for follow‐up experiments. By detecting CH25H expression in human immortalized keratinocytes (HaCaT) and LSCC cells (Tu‐686, SNU899, and AMC‐HN‐8), it was found out that CH25H expression was higher in HaCaT cells than in LSCC cells. To elucidate the role of CH25H in LSCC development, we overexpressed CH25H in Tu‐686 cells and downregulated its expression in AMC‐HN‐8 cells. CH25H was revealed to reduce the proliferation, activity, invasion, and migration of LSCC cells while increasing their apoptosis levels. Significant changes were also observed in the expressions of autophagy‐ and PI3K‐AKT pathway‐related proteins. To further investigate the roles of autophagy and the PI3K‐AKT pathway in LSCC development, we respectively employed autophagy agonists and inhibitors targeting the PI3K‐AKT pathway to intervene the cells, and found that CH25H regulated the PI3K‐AKT pathway to promote autophagy, thus enhancing the apoptosis of LSCC cells. We further investigated CH25H's impact on tumor growth, autophagy, and the PI3K‐AKT pathway at the animal level and found that CH25H promoted autophagy of LSCC cells and inhibited the PI3K‐AKT pathway, and ultimately inhibiting the progression of LSCC.

Conclusions

In summary, CH25H promotes autophagy and affects the malignant progression of LSCC through the PI3K‐AKT pathway.
Anti‐Inflammatory Activities of New Compounds Isolated from the Fruits of Foeniculum Vulgare Mill
Authors: Dong Wei‐Mao , Zhang Yun‐Tao , Wang Hai‐Ming , Deng Mao‐Xin , Chen Zhang‐Xian , He Hong‐Ping , Dong Fa‐Wu
Published: October 2024

Forty‐nine compounds, including six previously unknown together with forty‐three known ones, were isolated from the fruits of Foeniculum vulgare Mill. Their structures were elucidated using high‐resolution electrospray ionization mass spectrometry (HR‐ESI‐MS), infrared spectroscopy (IR), ultraviolet‐visible spectroscopy (UV), nuclear magnetic resonance (NMR), and electronic circular dichroism (ECD) methods. All isolates were evaluated their anti‐inflammatory activity. The results indicated that compounds 1 and 6 inhibit lipopolysaccharide (LPS)‐induced nitric oxide production in RAW 264.7 macrophages with IC50 values of 41.77±1.80, 46.72±1.75 μmol/L, respectively. Moreover, the potential targets of the four active ingredients were explored through network pharmacology, revealing that SRC, TP53, AKT1, and PIK3CA may serve as key anti‐inflammatory targets. Additionally, the anti‐inflammatory activities of compounds 1–6 were first observed in this experiment.
Loureirin B Ameliorates Glycolipid Metabolism Disorders in Ob/ob Mice by Regulating Bile Acid Levels and Modulating Gut Microbiota Composition
Authors: Zhang Junyang , Zhang Xiaoyan , Li Gen , Ge Jun , Feng Xinchi
Published: October 2024

Loureirin B (LB), an active component of Resina Draconis, exhibits hypoglycemic and hypolipidemic effects; however, its mode of action remains unclear. Here, ob/ob mice were utilized to investigate the effects of LB on the regulation of glucolipid metabolism disorders. Non‐targeted metabolomics and 16S rDNA sequencing were performed to elucidate the potential mechanisms involved. Results indicated that LB treatment (45 mg/kg) significantly improved glucose intolerance and insulin resistance, reduced lipid levels, and alleviated hepatic steatosis. Non‐targeted metabolomics analysis revealed that LB treatment regulated bile acid levels. Quantification of liver bile acids demonstrated that LB treatment significantly decreased the ratio of 12α‐OH to non‐12α‐OH bile acids in the liver. 16S rDNA sequencing results showed that LB treatment increased the abundance of short‐chain fatty acid‐producing microbiota while decreasing the abundance of bile salt hydrolase (BSH) enzyme‐producing microbiota. In conclusion, LB ameliorates glucolipid metabolism disorders by regulating liver bile acid levels and modulating the composition of the gut microbiota.
Identification of Potential Inhibitors of TGFβR1 for the Treatment of Cancer through Structure‐Based Virtual Screening and Molecular Dynamics Simulations
Authors: Rastogi Saumya , Shekher Mishra Shashank , Singh Lakhveer , Kumar Neeraj
Published: October 2024

Globally, cancer is one of the leading causes of death. Resistance to conventional medications, such as chemotherapy and radiation, continues to be a significant challenge in the treatment of cancer despite the availability of numerous medicines. Therefore, the highest priority is to hunt for new therapeutic agents. Transforming growth factor‐beta is a pivotal regulatory cytokine that exerts significant influence over cellular processes, particularly emphasizing its role in facilitating and modulating cell proliferation. TGF‐β receptor 1, identified as the most promising active site of the TGF‐β signaling, is a potent drug target site that has garnered wide attention for developing new anticancer agents. The present investigation investigates the potential natural products as TGFβR1 inhibitors. The SB431542 complexed TGFβR1 protein model was used to screen the natural product database to obtain a compound with high binding potential. NPC247629 has emerged as the best‐scored compound among all the screened compounds, demonstrating the highest affinity towards the TGFβR1 regarding docking score −17.54 kcal/mol. The all‐atoms MD simulation study indicated that all proposed hits are retained inside the receptor in dynamic states. Additionally, principal component and free energy landscape analysis were performed to explore the binding mechanism of top‐hit natural products. The best‐screened hits, NPC247629 and NPC60735, have excellent binding affinity and hold a massive potential for TGFβR1 inhibition, paving the way for promising future investigations in cancer treatment.
Synthesis, Biological Activities, and Molecular Docking Studies of 15‐Site Matrine Based Isatohydrazone Derivatives as Potential Anticancer Agents
Authors: Wu Yaqing , Kowah Jamal A. H. , Zhu Tianqi , Li Yufang , Wang Lisheng , Yu Haixia
Published: October 2024

To acquire matrine derivatives with enhanced anticancer activity, we designed and synthesized twenty‐one 15‐site matrine based isatohydrazone derivatives were designed and synthesized. The anti‐proliferative activity of all the compounds against human cervical cancer cells (HeLa), human colon cancer cells (HCT116), and non‐small cell lung cancer cells (A549) was examined by the MTT method. The majority of the compounds exhibited superior anticancer activity compared to matrine. Among them, compound 5a displayed the most potent anti‐proliferative activity, with IC50 values of 9.02±0.33 μM (HeLa), 10.49±1.09 μM (HCT116), and 15.23±0.12 μM (A549), respectively. Compound 5a can also induce cell cycle arrest in the G0/G1 phase and trigger apoptosis, as well as inhibit cell clonal formation and migration. Molecular docking experiments have demonstrated that compound 5a can form hydrogen bonds and hydrophobic interactions with EGFR‐related protein 7AEI.
Exploring of Chemical Profile and Biological Activities of Three Ocimum Species From Comoros Islands: A Combination of In Vitro and In Silico Insights
Authors: Cetiz Mehmet Veysi , Isah Musa , Ak Gunes , Bakar Kassim , Himidi Azali Ahamada , Mohamed Andilyat , Glamočlija Jasmina , Nikolić Filip , Gašic Uroš , Cespedes‐Acuna Carlos L. , Zengin Gokhan
Published: October 2024

Ocimum species have a great interest in different traditional medicinal systems. This study examined the chemical composition, antioxidant properties, enzyme inhibitory effects, and antibacterial and antifungal activities of the aerial parts of Ocimum gratissimum, Ocimum americanum, and Ocimum basilicum from the Comoros Islands. The extracts were analyzed using high‐performance liquid chromatography‐mass spectrometry (HPLC‐MS) to determine their chemical composition. Antioxidant activity was assessed using 2,2‐Diphenyl‐1‐picrylhydrazyl (DPPH), 2,2′‐Azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonic acid) diammonium salt (ABTS), cupric reducing antioxidant capacity (CUPRAC), ferric reducing antioxidant power (FRAP), chelating ability, and phosphomolybdenum radical scavenging assays. Enzyme inhibitory activities against acetylcholinesterase (AChE), butrylcholinesterase (BChE), tyrosinase, amylase, and glucosidase were evaluated using spectrophotometric methods. Antibacterial and antifungal activities were tested using the broth microdilution method against selected pathogenic microorganisms. The selected enzymes and proteins were evaluated using in silico methods with biomolecules from these plants. In addition, 111 different metabolites were identified in the tested extracts using advanced HPLC/MS techniques. The most significant number of detected compounds were derivatives of hydroxycinnamic acids, followed by flavonoid glycosides and aglycones and derivatives of hydroxybenzoic acids. All three Ocimum species exhibited significant antioxidant activities, O. gratissimum exhibited the best‐reducing abilities in CUPRAC and FRAP assays. In addition, enzyme inhibitory assays revealed that O. americanum had the most potent inhibitory effect on tyrosinase (48.01 ± 3.89 mg kojic acid equivalent [KAE]/g), and amylase (1.08 ± 0.02 mmol acarbose equivalent [ACAE]/g). Antibacterial and antifungal tests demonstrated that the extracts possess broad‐spectrum activity. Molecular docking results showed that compounds exhibited remarkable binding energies with target enzymes and proteins. The molecular dynamics simulations identified chicoric acid with MurE of Staphylococcus aureus complex as the most promising drug candidate. These findings support their traditional medical and nutraceutical uses and suggest possibilities for natural functional applications.
Nanozymes as Antibacterial Agents: New Concerns in Design and Enhancement Strategies
Authors: Yan Xianhang , Li Xiaoqiang , Yu Pengtian , Wang Lijun , Zhao Qingwei
Published: October 2024

Nanozymes exhibiting natural enzyme‐mimicking catalytic activities as antibacterial agents present several advantages, including high stability, low cost, broad‐spectrum antibacterial activity, ease of preparation and storage, and minimal bacterial resistance. Consequently, they have attracted significant attention in recent years. However, the rapid expansion of antimicrobial nanozyme research has resulted in pioneering reviews that do not comprehensively address emerging concerns and enhancement strategies within this field. This paper first summarizes the factors influencing the intrinsic activity of nanozymes; subsequently, we outline new research considerations for designing antibacterial nanozymes with enhanced functionality and biosafety features such as degradable, imageable, targeted, and bacterial‐binding nanozymes as well as those capable of selectively targeting pathogenic bacteria while sparing normal cells and probiotics. Furthermore, we review novel enhancement strategies involving external physical stimuli (light or ultrasound), the introduction of extrinsic small molecules, and self‐supplying H2O2 to enhance the activity of antibacterial nanozymes under physiological conditions characterized by low concentrations of H2O2 and O2. Additionally, we present non‐redox nanozymes that operate independently of highly toxic reactive oxygen species (ROS) alongside those designed to combat less common pathogenic bacteria. Finally, we discuss current issues, challenges faced in the field, and future prospects for antibacterial nanozymes.
Noncanonical Functions of Ketosynthase Domains in Type I Polyketide Synthases
Authors: Zhao Yuqiong , Zhang Wenyu , Liu Wen , Tang Zhijun
Published: October 2024

Modular type I polyketide synthases (PKSs) are remarkable molecular machines that can synthesize structurally complex polyketide natural products with a wide range of biological activities. In these molecular machines, ketosynthase (KS) domains play a central role, typically by catalyzing decarboxylative Claisen condensation for polyketide chain extension. Noncanonical KS domains with catalytic functions rather than Claisen condensation have increasingly been evidenced, further demonstrating the capability of type I PKSs for structural diversity. This review provides an overview of the reactions involving unusual KS activities, including PKS priming, acyl transfer, Dieckmann condensation, Michael addition, aldol‐lactonization bicyclization, C−N bond formation and decarbonylation. Insights into these reactions can deepen the understanding of PKS‐based assembly line chemistry and guide the efforts for rational engineering of polyketide‐related molecules.
Dynamic Nanostructure‐Based DNA Logic Gates for Cancer Diagnosis and Therapy
Authors: Bi Shiyi , Yang Ruowen , Ju Huangxian , Liu Ying
Published: October 2024

DNA logic gates with dynamic nanostructures have made a profound impact on cancer diagnosis and treatment. Through programming the dynamic structure changes of DNA nanodevices, precise molecular recognition with signal amplification and smart therapeutic strategies have been reported. This enhances the specificity and sensitivity of cancer theranostics, and improves diagnosis precision and treatment outcomes. This review explores the basic components of dynamic DNA nanostructures and corresponding DNA logic gates, as well as their applications for cancer diagnosis and therapies. The dynamic DNA nanostructures would contribute to cancer early detection and personalized treatment.
Neonatal ascites, leading to the diagnosis of congenital dengue with plasma leakage
Authors: Bin Sakviseth , Im Sethikar
Published: October 2024

Key Clinical Message

Although Cambodia is a dengue‐endemic country, mother‐to‐child transmission of dengue virus has yet to be documented. We report a rare case for congenital dengue diagnosed by RT‐PCR in a 4‐day‐old neonate with ascites. The neonate was initially treated for suspected perinatal infection. The management was supportive.
Intermittent spontaneous CSF rhinorrhea exacerbated by hormonal fluctuations associated with menstrual cycles
Authors: Bhat Shriya P. , Wyll Allison , Bhatki Amol
Published: October 2024

Key Clinical Message

This case underscores the importance of recognizing the potential link between hormonal fluctuations during the menstrual cycle and idiopathic intracranial hypertension (IIH), which could lead to spontaneous cerebrospinal fluid (CSF) rhinorrhea. Eliciting a history of intermittent clear rhinorrhea with the onset of menstrual cycle if presenting with menstrual migraines could allow for a more prompt diagnosis and treatment of IIH and CSF leak. Early diagnosis and intervention are crucial to prevent serious complications.