bluuebunny/crossref_metadata_2025 huggingface dataset:
Research on the Application of Improved BERT‐DPCNN Model in Chinese News Text Classification
Authors: Wang Heda , Zhang Shuyan
Published: November 2024

This paper introduces an enhanced BERT‐DPCNN model for the task of Chinese news text classification. The model addresses the common challenge of balancing accuracy and computational efficiency in existing models, especially when dealing with large‐scale, high‐dimensional text data. To tackle this issue, the paper proposes an improved BERT‐DPCNN model that integrates BERT's pre‐trained language model with DPCNN's efficient convolutional structure to capture deep semantic information and key features from the text. Additionally, the paper incorporates the zebra optimization algorithm (ZOA) to dynamically optimize the model's hyperparameters, overcoming the limitations of manual tuning in traditional models. By automatically optimizing hyperparameters such as batch size, learning rate, and the number of filters through ZOA, the model's classification performance is significantly enhanced. Experimental results demonstrate that the improved ZOA‐BERT‐DPCNN model outperforms traditional methods on the THUCNEWS Chinese news dataset, not only verifying its effectiveness in news text classification tasks but also showcasing its potential to enhance classification performance.
Fatigue Detection Based on Blood Volume Pulse Signal and Multi‐Physical Features
Authors: Chen Xiaowen , Lv Jian , Xie Qingsheng
Published: November 2024

Fatigue detection holds paramount importance in the timely identification of safety hazards. Nonetheless, prevailing fatigue detection methodologies often overlook the diverse spectrum of fatigue features or temporal cues. To address this lacuna, we introduce fatigue detection based on blood volume pulse signal and multi‐physical features (FDBVPS‐MF). Initially, a non‐invasive technique is employed to extract the blood volume pulse signal (BVPS) from the forehead region, which is subsequently fed into a one‐dimensional convolutional neural network (1D CNN) to formulate a fatigue detection model based on BVPS. Concurrently, features such as percentage of eyelid closure (PERCLOS), blink frequency (BF), and maximum closing time (MCT) are computed from eye images, and amalgamated with yawning frequency (YF) derived from mouth images to generate multi‐physical features (MF). MF is then input into the 1D CNN network to construct a fatigue detection model based on MF. Subsequently, employing weights, derived through Adaboosting, a fusion approach is executed to integrate the outputs of the two fatigue detection models, thus facilitating multi‐modal fatigue detection. On the UTA‐RLDD dataset, the proposed FDBVPS‐MF exhibits an accuracy and precision of 88.9% and 88.2%, respectively. Experimental findings substantiate the superior efficacy of FDBVPS‐MF over conventional methodologies.
Seed‐Mediated Synthesis of High Loading PtCo Intermetallic Compounds Enhanced Catalytic Efficacy and Long‐Term Stability for Oxygen Reduction Reaction
Authors: Cai Leilei , Yang Zuobo , Liu Tingting , Jin Ningjie , Cao Yaqi , Yun Sung Lai Jimmy , Zhang Jie , Zhao Hong
Published: November 2024

Atomically ordered intermetallic Pt‐based nanoparticles, recognized as advanced electrocatalysts, exhibit superior activity for the oxygen reduction reaction (ORR) in fuel cell cathodes. Nevertheless, the formation of these ordered structures typically necessitates elevated annealing temperatures, which can accelerate particle growth and diminished reactivity. In this study, we synthesized carbon‐supported platinum‐cobalt intermetallic compounds (PtCo‐IMCs) with sub‐4 nm particle sizes and uniform distribution. These catalysts, characterized by high platinum content and exceptional ORR activity, are specifically tailored for heavy‐duty vehicle (HDV) applications. The PtCo‐IMCs exhibited significantly enhanced catalytic performance and durability compared to conventional Pt‐based catalysts, utilizing platinum nanoparticles as nucleation sites to promote growth. This method effectively retained smaller particle sizes while achieving a higher degree of ordering and alloying during high‐temperature annealing. Optimization of the annealing temperature resulted in peak activity and stability at 800 °C. The mass activity (MA) of the PtCo‐800 catalyst was 2.7‐fold and 1.8‐fold that of the commercial Pt/C and disordered PtCo catalysts, respectively. Additionally, the single cell employing the PtCo‐800 catalyst showed a minimal voltage loss of only 27 mV at a current density of 2 A cm−2 after 30,000 cycles of the accelerated durability test (ADT), underscoring its long‐term stability. This work provides an efficient method for the preparation of high loading ORR electrocatalyst with excellent durability.
Mild Aerobic Oxidation of Secondary Alcohols with Water Tolerant Cu(I) Catalyst
Authors: Heshmatnia Faranak , Zupanc Anže , Eronen Aleksi , Lagerspets Emi , Install Joseph , Repo Timo Juhani
Published: November 2024

Green, aerobic oxidation of secondary alcohols to ketones poses a significant synthetic challenge. To address this, we have developed a highly active (DPA)CuI/ABNO catalyst system capable of aerobically oxidizing a wide range of secondary alcohols, including benzylic and aliphatic derivatives, yielding the corresponding ketones with high yields. The unique feature of this Cu(I) catalyst is its high stability, even in the presence of water. We also prepared CuI from waste copper sources to enhance the system's sustainability.
Electrochemical C−H Hydroxylation and Alkoxylation Reactions
Authors: Wang Huiqiao , Zhang Guangwu , Xu Kun
Published: November 2024

The electrochemical C−H hydroxylation and alkoxylation reactions have emerged as sustainable platforms to construct valuable oxygenated compounds such as alcohols, phenols, and ethers. Compared with traditional approaches, these electrochemical strategies not only enhance the atom economy through bypassing the use of chemical oxidants but also unlock new reactivities by accessing reactive intermediates under mild conditions. In this review, we tried to provide an overview of the representative achievements in this field since 2020. The related transformations are classified into five parts according to the underlying mechanisms. Furthermore, the potential opportunities and challenges within this rapidly emerging field were also discussed. This review is not intended to be exhaustive but rather to illustrate the synthetic potential of electrochemical C−H hydroxylation and alkoxylation strategies in the sustainable and selective assembly of valuable oxygenated compounds.
Single‐cell dissection reveals immunosuppressive F13A1+ macrophage as a hallmark for multiple primary lung cancers
Authors: Yang Chenglin , Qu Jiahao , Wu Jingting , Cai Songhua , Liu Wenyi , Deng Youjun , Meng Yiran , Zheng Liuqing , Zhang Lishen , Wang Li , Guo Xiaotong
Published: November 2024

Background

The increasing prevalence of multiple primarylung cancers (MPLCs) presents challenges to current diagnostic and clinicalmanagement approaches. However, the molecular mechanisms driving MPLCdevelopment and distinguishing it from solitary primary lung cancers (SPLCs)remain largely unexplored.

Methods

We performed a comparative single‐cell RNAsequencing (scRNA‐seq) analysis on tumour and adjacent para‐tumour tissues fromMPLC and SPLC patients to comparatively evaluate their immunological landscapes.Additionally, multiplex immunofluorescence (mIF) staining and independentvalidation datasets were used to confirm findings.

Results

MPLCs and SPLCs share significant similarities in genetic, transcriptomic and immune profiles, suggesting common therapeutic strategies such as EGFR‐TKIs andICIs. Notably, an immunosuppressive macrophage subtype, F13A1+ Macrophage (Mϕ), is specifically enriched in MPLCs. This subtype overexpresses M2 macrophagemarkers and exhibits up‐regulation of SPP1‐CD44/CCL13‐ACKR1 interactions, indicatingits role in shaping the immunosuppressive tumour microenvironment and promotingtumour growth in MPLCs.

Conclusions

This study unveils shared molecular mechanismsbetween MPLCs and SPLCs, while identifying MPLC‐specific cellular and molecularfeatures, such as the role of F13A1+ macrophages. The findings provide novelinsights into MPLC pathogenesis, supporting the development of targetedtherapeutic strategies.

Key points

Comparative scRNA‐seq analysis reveals significant similarities in genetic, transcriptomicand immune profiles between MPLCs and SPLCs.

Identification of a unique immunosuppressive F13A1+ macrophage subtype, preferentially enriched in MPLCs, linked to immune evasion and tumourprogression.

SPP1‐CD44/CCL13‐ACKR1 interactions are crucial in MPLC tumour microenvironment, indicating potential targets for therapeutic intervention.
Modelling the Effects of Vegetation Distribution and Density on Hydrological Connectivity and Water Age in a River Delta
Authors: Jean Louis Madoche , Hiatt Matthew
Published: November 2024

Water transport timescales (WTTs) quantify how long it takes for water to travel through or remain in a system and are often cast as indicators of ecosystem function and health. Such timescales are known to be affected by vegetation in various environments. We quantify the impact of floodplain vegetation on WTTs within the Wax Lake Delta (WLD), a river delta system in Louisiana, USA, using a high‐resolution Delft3D Flexible Mesh (DFM) model incorporating vegetation‐induced flow resistance. We show that increased vegetation density leads to extended WTTs within vegetated sections of WLD while fostering flow localization and accelerating transport within distributary channels. We find that the presence or absence of floodplain vegetation significantly influences the volumetric flow directed towards the floodplain, with spatial distribution exerting more control than vegetation density. Vegetation density and spatial arrangement have minimal impact on flow directed out of the deltaic floodplain, indicating that vegetation does not constrain flow across the bayward boundary. Furthermore, network‐scale water age distribution remains largely unaffected by vegetation density and spatial arrangement, except for slight modifications in the distribution's right tail. These findings contribute to a better understanding of how vegetation affects deltaic hydrology across scales, highlighting the importance of considering multi‐scale vegetation influences for coastal restoration and management strategies.
HPV‐Associated Head and Neck Second Primary Tumors—A Case Series
Authors: Sharav Shimrit , Horton Joshua D. , Theodossiou Zachary , Turner John , Neskey David , Day Terry
Published: November 2024

Background

There is limited understanding of head and neck second primary tumors (SPTs) in HPV‐associated squamous cell carcinoma (SCC). Analogous to the concept of field cancerization of the upper airway known to contribute to the development of smoking‐related head and neck SPTs, this case series reports four cases of HPV‐associated SPTs.

Methods

We reviewed the charts of four patients diagnosed with HPV‐associated oropharyngeal SCC who subsequently developed HPV‐associated SPTs. Clinical data was collected, including demographics, tumor characteristics, time elapsed between the two diagnoses, and treatment type.

Results

The average age of the patients was 68 years. All of the patients were non‐smokers, and none reported heavy alcohol use. All patients had the first cancer in the oropharynx. The time between the first and second diagnoses ranged from 3 and 12 years.

Conclusion

HPV has not been previously identified as a risk factor for head and neck SPTs. Given the long period between the first and second cancers and the lack of other risk factors for head and neck cancer, our case series demonstrates HPV‐associated head and neck SPTs.
Polyimide passivation‐enabled high‐work function graphene transparent electrode for organic light‐emitting diodes with enhanced reliability
Authors: Liu Rui , Liu Yu , Zhang Dingdong , Du Jinhong , Han Xu , Yuan Shuangdeng , Ren Wencai
Published: November 2024

Chemical vapor deposition (CVD)‐gown graphene has tremendous potential as a transparent electrode for the next generation of flexible optoelectronics such as organic light‐emitting diodes (OLEDs). A semiconductor coating is critical to improve the work function but usually makes graphene rougher and more conductive, which increases leakage, and then significantly restrict device efficiency improvement and worsens reliability. Here an insulating polyimide bearing carbazole‐substituted triphenylamine units and bis(trifluoromethyl)phenyl groups (CzTPA PI/2CF3) with high thermal stability is synthesized to passivate graphene. The similar surface free energy allows the uniform coating of CzTPA PI/2CF3/N‐methylpyrrolidone on graphene. Despite of a slight decrease in conductivity, CzTPA PI/2CF3 passivation enables a substantial reduction in surface roughness and improvement in work function. By using such CzTPA PI/2CF3‐passivated graphene as anode, a flexible green OLED is demonstrated with a maximum current, power, and external quantum efficiencies of 88.4 cd A−1, 115.7 lm W−1, and 24.8%, respectively, which are among the best of the reported results. Moreover, the CzTPA PI/2CF3 passivation enhances the device reliability with extending half‐life and reducing dispersion coefficient of efficiency. The study promotes the practical use of graphene transparent electrodes for flexible optoelectronics.

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Efficacy of Neuromuscular Ultrasound in Diagnosing and Treating a Mammogram‐Induced Brachial Plexus Injury—A Case Report
Authors: Dougherty Jaime , Pigott Tyler , Raja Altamash E.
Published: November 2024

A 40‐year‐old woman presented with chronic left anterior shoulder, upper arm, and axillary pain following a routine mammogram 3 years prior. Despite multiple interventions, her pain persisted significantly affecting her quality of life. Ultrasound examination revealed fascicular edema in the medial brachial cutaneous nerve (MBCN), intercostobrachial cutaneous nerve (ICBN), and a positive sono‐Tinel. Ultrasound‐guided hydrodissection of these nerves provided complete axillary pain relief and significant improvement in anterior arm pain, sustained for 6 months. This case highlights the diagnostic challenges of cutaneous nerve entrapment syndromes, often overlooked and misdiagnosed, especially without a clear inciting injury. Ultrasound proves superior to electrodiagnostic studies in visualizing nerve pathology, particularly in small cutaneous nerves. Incorporating ultrasound into the diagnostic process for nerve entrapments can reduce the need for more expensive tests like magnetic resonance imaging (MRI) with the added benefit of therapeutic intervention. Moreover, routine mammography should be considered a cause for ICBN and MBCN neuropathy, a rare but significant condition. Neuromuscular ultrasound offers distinct advantages in diagnosing and treating such neuropathies, exemplified by the successful management of our patient's condition.
Next‐Generation Sequencing: An Advanced Diagnostic Tool for Detection of Pancreatic Disease/Disorder
Authors: Biswas Suvro , Afrose Shamima , Mita Mohasana Akter , Hasan Md. Robiul , Shimu Mst. Sharmin Sultana , Zaman Shahriar , Saleh Md. Abu
Published: November 2024

The pancreas is involved in digestion and glucose regulation in the human body. Given the recognized link between chronic pancreatitis and pancreatic cancer, addressing pancreatic disorders and pancreatic cancer is particularly challenging. This review aims to highlight the limitations of traditional methods in diagnosing pancreatic disorders and cancer and explore several next‐generation sequencing (NGS) approaches as a promising alternative. There are distinct clinical symptoms that are shared by a number of clinical phenotypes of pancreatic illness induced by particular genetic mutations. Traditional diagnostic methods encompass computed tomography, magnetic resonance imaging, contrast‐enhanced Doppler ultrasound, endoscopic ultrasound, endoscopic retrograde cholangiopancreatography, transabdominal ultrasound, laparoscopy, and positron emission tomography have a prognostic ability of only 5% or less and a 5‐year survival rate. Genetic sequencing can be employed as an alternative to conventional diagnostic techniques. Sanger sequencing and NGS are currently largely operated genome analysis, with no exception for pancreatic disease diagnosis. The NGS methods can sequence millions to billions of short DNA fragments, enabling enormous sample screening in a short amount of time with low‐abundance detection, like in 0.1%–1% mutation prevalence declining approximate cost. Whole‐genome sequencing, whole‐exome sequencing, RNA sequencing, and single‐cell NGS are a few NGS methods utilized to diagnose pancreatic disease. For both research and clinical applications, the NGS techniques can provide a precise diagnosis of pancreatic disorders in a short amount of time at a reasonable expenditure.
Study on Territorial Spatial Equilibrium Based on Ecosystem Service Value: A Case Study of the Southwest Guangxi Karst‐Beibu Gulf, China
Authors: Zhang Lili , Hu Baoqing , Hu Weiyan
Published: November 2024

Exploring the regional territorial spatial equilibrium state (TSES) has emerged as a key goal of “Two Mountains” planning and decision‐making, as well as territorial spatial governance. However, there is still a shortage of perspectives that consider the ecosystem service value (ESV) to reveal and predict TSES. To this end, this study develops a framework for analyzing the interaction between ESV and socio‐economic value (SEV), investigates the pattern, process, and mechanism of their interaction employing spatial equilibrium model, and couples the MOP‐PLUS model to predict the interaction between the two under different scenarios, in order to fill in the gaps of the current research. The results show that: (1) From 1980 to 2020, the ESV (decreasing trend) and SEV (increasing trend) in the Southwest Guangxi Karst‐Beibu Gulf (SGK‐BG) show opposite trends and distribution patterns. Under all three simulated projection scenarios, the projected ESV of SGK‐BG in 2030 shows different degrees of decreases, with economic development leading to the greatest fluctuations in the rate of decrease; the implementation of an ecological protection strategy leads to a small decrease in the SEV, and vice versa. (2) The TSE for coordinated equilibrium state (CES) districts and counties are mainly clustered in the GSK region, with the number in 2020 increasing by 30% compared to 1980; the ecological imbalance state (EIS) areas are mainly located in the central part of the study area and some districts along the coast of the Beibu Gulf, and the developmental imbalance state (DIS) areas are located in the northwestern part of the study area. The above three TSES have the highest number of distributions in the business as usual scenario (BAUS), the economic development first scenario (EDFS), and the ecological conservation first scenario (ECFS), respectively. The above differences in different spatial equilibriums reveal a serious developmental imbalance between economic development and ecological conservation. This study emphasizes the pathways evolution of different equilibrium subregions under the realization of ESV, and the evaluation results are not only a useful supplement to the research on the “Two Mountains” theory, but also can help policymakers to provide scientific decisions in promoting the synergistic, equilibrium and orderly development of the region.
Highly Performing Polysaccharide Hydrogels can Replace Acrylic Acid‐Based Superabsorbent Polymers in Sanitary Napkins
Authors: Ismaeilimoghadam Saeed , Azimi Bahareh , Jonoobi Mehdi , Danti Serena
Published: November 2024

Super absorbent polymers (SAPs) used in sanitary napkin are not required for water absorption capacity as high as in baby diapers and adult incontinence pads. Sanitary napkins must absorb menses, which is delivered at a significantly lower rate and overall daily amount than urines. Thus, the acrylic acid (AA) component can not be strictly necessary. By proper formulation design and processing, polysaccharide SAPs can be equally or even better performing than AA‐containing SAPs in sanitary napkins. Fully biodegradable sodium alginate (SA)‐based SAPs are prepared through ionic cross‐linking by CaCl2 and introduced in female pads. The optimal solution concentrations (SA 8% w/v, CaCl2 0.25% w/v in water) and reaction time are identified, and addition of cellulose nanocrystals (CNC) at different weight contents (0–3 w%) is tested. Morphology, physico‐chemical properties, rheology, free swelling capacity (FSC), centrifuge retention capacity, and weight loss in soil are assessed. Increasing CNC content decreases FSC. Rheology results demonstrate higher storage and loss moduli for SA‐based SAPs versus commercial SAPs. The superior SA‐SAP developed is used in varying amounts for manufacturing sanitary napkin prototypes, revealing that excellent menstrual fluid absorption, surpassing commercial pads. Replacing AA‐based with polysaccharide‐based SAPs would reduce the environmental impact of hygienic product waste.
Twisted conjugacy in soluble arithmetic groups
Authors: Lins de Araujo Paula M. , Santos Rego Yuri
Published: November 2024

Reidemeister numbers of group automorphisms encode the number of twisted conjugacy classes of groups and might yield information about self‐maps of spaces related to the given objects. Here, we address a question posed by Gonçalves and Wong in the mid‐2000s: we construct an infinite series of compact connected solvmanifolds (that are not nilmanifolds) of strictly increasing dimensions and all of whose self‐homotopy equivalences have vanishing Nielsen number. To this end, we establish a sufficient condition for a prominent (infinite) family of soluble linear groups to have the so‐called property . In particular, we generalize or complement earlier results due to Dekimpe, Gonçalves, Kochloukova, Nasybullov, Taback, Tertooy, Van den Bussche, and Wong, showing that many soluble ‐arithmetic groups have  and suggesting a conjecture in this direction.
Plasma DNA Methylation‐Based Biomarkers for MPNST Detection in Patients With Neurofibromatosis Type 1
Authors: Tomczak Katarzyna , Patel Manishkumar S. , Bhalla Angela D. , Peterson Christine B. , Landers Sharon M. , Callahan S. Carson , Zhang Di , Wong Justin , Landry Jace P. , Lazar Alexander J. , Livingston J. Andrew , Guadagnolo B. Ashleigh , Lyu Heather G. , Lillemoe Heather , Roland Christina L. , Keung Emily Z. , Scally Christopher P. , Hunt Kelly K. , McCutcheon Ian E. , Slopis John M. , Gu Jian , Scheet Paul , Wang Liang , Rai Kunal , Torres Keila E.
Published: November 2024

Malignant peripheral nerve sheath tumor (MPNST) development is characterized by an altered DNA methylation landscape, which presents a promising area for developing MPNST‐specific biomarkers for screening patients with NF1. Genome‐wide DNA methylation profiling of a cohort of 13 patients with MPNST (29 samples of tumor and adjacent neurofibroma tissues) and of NF1‐MPNST cell lines was performed to identify and validate candidate MPNST‐specific CpG sites (CpGs). A logistic regression prediction model was constructed to select MPNST‐specific CpGs distinct from adjacent neurofibromas and normal tissues. To test if hypermethylation at selected CpGs can also be detected in plasma from patients with MPNST, cfMBD‐seq was applied to profile the cfDNA methylome of blood from patients with MPNST and NF1. Based on stringent feature‐selection criteria and predictive modeling, we identified 73 candidate MPNST‐specific CpGs (67 with unique CpG island locations) that reliably discriminated MPNSTs from neurofibromas. Validation of five candidate biomarkers confirmed successful MPNST detection (sensitivity: > 88%, specificity: > 91%) in tissues. In plasma samples, 63 of 67 selected genomic regions had greater than 1.2‐fold higher methylation in patients with MPNST than those with NF1. Further, we identified 15 CpG islands that consistently separated plasma from patients with confirmed MPNST diagnosis from plasma of individuals with NF1 without a diagnosis of malignant transformation (FDR < 0.1). Our findings confirmed a unique hypermethylation pattern present during malignant transformation. This study highlights the potential to be investigated further as biomarkers in clinical settings for early MPNST detection in patients with NF1.
Integrative Bioinformatics Analysis and Experimental Study of NLRP12 Reveal Its Prognostic Value and Potential Functions in Ovarian Cancer
Authors: Xie Zhihui , Yang Tiantian , Zhou Chuchu , Xue Zixin , Wang Jianjun , Lu Feng
Published: November 2024

NLRP12 plays a significant role in cellular functional behavior and immune homeostasis, influencing inflammation, tumorigenesis, and prognosis. This study aimed to explore its specific effects on the tumor microenvironment (TME) and its contribution to heterogeneity in ovarian cancer (OV) through bioinformatics analysis and experimental verification. Utilizing various bioinformatics databases and clinical specimens, we investigated NLRP12 expression and its relationship with OV prognosis and immune infiltration. In vitro assays were conducted to assess the impact of NLRP12 on the proliferation and invasion of OV cells. Our findings indicate that NLRP12 is upregulated in OV, with high expression correlating with a negative prognosis. Furthermore, NLRP12 expression demonstrated a positive correlation with the infiltration of various immune cells and the expression of immune checkpoint molecules in OV. Analysis of The Cancer Immunome Atlas (TCIA) database revealed that OV patients with lower NLRP12 expression may exhibit an enhanced response to immunotherapy, particularly CTLA4 blockers, a finding validated in animal experiments. Additionally, the study emphasized the role of NLRP12 in influencing the prognosis of OV patients by promoting epithelial‐mesenchymal transition (EMT) in ovarian cancer cells. Finally, we identified a potential therapeutic compound, Schisandrin B (Schi B), which decreases NLRP12 expression in ovarian cancer cells by binding to the transcription factor SPI1 associated with NLRP12. Our findings suggest that NLRP12 serves as a crucial immune‐related biomarker predicting poor outcomes in OV, and targeting NLRP12 may represent a promising therapeutic approach for OV patients in the future.
Plant‐Derived Natural Products and Their Nano Transformation: A Sustainable Option Towards Desert Locust Infestations
Authors: Mangundu Patrick , Makaudi Rebaone , Paumo Hugues Kamdem , Ramalapa Bathabile , Tshweu Lesego , Raleie Naledi , Katata‐Seru Lebogang
Published: November 2024

The desert locust has been recognized as the most devastating migratory pest in the world. Swarms of this pest have been threatening vast regions of pastures and crops in Africa, Middle East, and South Asia. The biological management of expanding swarms has become a strategy of particular interest due to environmental awareness and economic issues associated with chemical pesticides. The present review aims to explore the latest updates and information about pesticidal plants that are distributed across Africa. Searches on Web of Science, Google Scholar, PubMed, and Scopus databases from 2013–2024 revealed a total of 22 plant species probed for insecticidal activities against desert locusts. The formulation, active ingredients, and biological effects of essential oils and other extracts from these plants are presented. Despite the promising anti‐insecticidal effects of the plant extracts and compounds, issues related to their solubility and instability under environmental conditions have been observed. To address such major quality defects, methods for the encapsulation of plant natural products within nanostructures are detailed. Given the presence of bioactive compounds with nucleophiles bearing functional groups, the reported plant extracts have been exploited to fabricate metal nanoparticles with inherent insecticidal activities. In this paper, a holistic overview of prepared phytochemical‐coated metal nanopesticides is also presented. In summary, this study offers insights into the integration of nanoformulated natural resources as a more sustainable option to control desert locust invasions.
Understanding the influence of configurations and intermolecular interaction on thermomechanical and dynamics properties of polymer–clay nanocomposites via molecular dynamics simulations
Authors: Nie Wenjian , Zhang Boshan , Xie Dongchi
Published: November 2024

Polymer‐clay nanocomposites (PCNs) have emerged as highly versatile structural materials that possess exceptional thermomechanical and dynamic properties, all the while retaining their inherent attributes of being lightweight and optically clear. The fabrication of nanocomposites involves the incorporation of carefully calibrated quantities of clay nanofillers into polymer matrixes. Current research expands upon existing coarse‐grained (CG) models of nanoclay and poly (methyl methacrylate) (PMMA) and utilize molecular dynamics simulations to methodically explore the thermomechanical characteristics of PCNs. Specifically, the effects of exfoliated and stacked configurations of nanoclays, as well as variations in intermolecular interactions between the nanoclay and polymer constituents were tested. Tensile and shear simulations, as well as interfacial behaviors, are conducted. The intermolecular interaction could have significant influences on Shear Modulus and Young's Modulus, and those influences have their characteristics due to different configurations and different force directions, such as in most cases, exfoliated structures exhibit higher mechanical modulus compared with stacked configurations at varying interaction strengths. Additionally, in the in‐plane direction, they demonstrate stronger resistance effects compared with the out‐of‐plane direction. The interaction between PMMA and nanoclay slows down the global dynamics of PMMA, with a stronger effect observed for higher interaction strength. The impact of nanoclay on the segmental dynamics of PMMA decreases as we move away from the nanoclay layers toward the pure PMMA matrix. These findings provide molecular insights into the arrangement of components in PCNs during deformation and highlight the significance of nanoclay and the interface in determining their mechanical and dynamic properties.

Highlights

Variation patterns of mechanical modulus with interactions and configurations.

The property difference in mechanical modulus due to configurations.

Positive correlation between polymer Tg and intermolecular interaction.

Global and local confinement effects on molecular stiffness during tension.

Dynamical heterogeneity behavior on different interactions and temperatures.
Mechanical properties and failure mechanisms of 3D layer‐to‐layer interlock woven composites
Authors: Wei Jiahui , Zhang Yifan , Feng Jiading , Guo Qiwei , Zou Qi , Shi Dongjie , Zhang Daijun , Wu Xiaojia , Sun Zheng , Guo Junhua , Jiao Yanan , Chen Li
Published: November 2024

Three‐dimensional layer‐to‐layer interlock woven composites (3D LTLIWCs) have been widely used in various aero‐engine blade models because of their excellent near‐net forming capabilities for complex components, as well as significant advantages in structural design flexibility and high damage tolerance. In this paper, a typical and two new 3D LTLIWCs, specifically including 1/3 twill (S‐I), modified satin (S‐II), and stuffer twill (S‐III), were manufactured by two design methods: varying interweaving frequency and introducing stuffer yarns. Three‐point bending and uniaxial tensile tests were conducted along the 0° (warp) and 90° (weft) directions. The damage morphology and failure mechanism of the specimens were revealed by nondestructive testing technology and topological structure analysis. The results showed that the fabric structure significantly influenced the mechanical properties and failure mechanisms of the 3D LTLIWCs. Compared with S‐I and S‐II, S‐III demonstrated a 17.9%–80.2% increase in bending strength and a 35.3%–162.8% increase in tensile strength in the 0° direction, while the bending strength and tensile strength in the 90° direction increased by 1.1%–73.3% and 9.3%–50.4%, respectively. Notably, S‐III exhibited lower bending and tensile damage in the 0° direction than S‐I and S‐II, with a smaller propagation range of resin and interface cracks and less severe shear fracture of the load‐bearing yarns. This study can provide a useful reference for the optimal design of fabric structure for 3D woven composite blades.

Highlights

Two design schemes for optimizing 3D LTLI fabric structure were compared.

Introducing stuffer yarns improved the mechanical properties of 3D LTLIWCs.

S‐III composites exhibited the highest failure strength in all test directions.

Full‐field strain distribution was closely related to the interlocking patterns.

Fabric structures had a great influence on the failure modes of 3D LTLIWCs.
Flexural and low‐velocity behavior of GFPP/DP980 honeycomb sandwich structure inspired by fiber metal laminates
Authors: Lin Yanyan , Xiao Chufan , Li Huaguan , Zhang Xiaofan , Hou Yingzhao , Tao Jie
Published: November 2024

With the rapid development of electric vehicles, a hybrid composite structure has been designed for the battery pack bottom guard to enhance impact resistance and reduce weight. The glass fiber‐reinforced polypropylene (GFPP)/DP980 honeycomb sandwich structure consists of GFPP panels with a polypropylene honeycomb core. DP980 advanced high‐strength steel plate is encapsulated within the structure, inspired by fiber metal laminates. A lightweight and high‐strength sandwich composite lay‐up solution was determined through equivalent bending stiffness theory, finite element simulation and experiment. An asymmetric sandwich structure with the steel plate on the impacted side enhanced flexural strength and ductility, demonstrating different failure sequences and a higher bending strength of 77.64 MPa compared to 50.18 MPa when the steel plate was on the unimpacted side. As impact energy increased from 100 to 200 J, the sandwich structure showed higher peak impact load, deeper craters, and increased bulge height, with significant delamination up to 175 J, while gravel impact tests revealed minimal flexural strength reduction (4.92%) even after repeated impacts. This study confirms that the use of thermoplastic sandwich structures is a viable and promising option for crash safety and the lightweight design of battery pack bottom guards.

Highlights

The thermoplastic honeycomb sandwich structure is polypropylene‐based.

The use of advanced high strength steel is inspired by fiber metal laminates.

Both thickness and surface density are considered in the structural design.

The steel plate placed on the impacted side improves the flexural behavior.

The sandwich structure has excellent impact resistance and lightweight level.
Establishment and evaluation of nomogram for predicting acute respiratory distress syndrome in meconium‐stained amniotic fluid neonates
Authors: Shen Leilei , Wan Shaoyou , Sun Xiaodong , Zheng Ruixue , Chen Sheng
Published: November 2024

Objective

To delineate risk factors and develop a predictive nomogram for acute respiratory distress syndrome (ARDS) in neonates exposed to meconium‐stained amniotic fluid (MSAF).

Methods

We conducted a comprehensive retrospective analysis of neonates with MSAF, classifying them into ARDS and non‐ARDS groups based on the onset of ARDS within the first week after birth. Clinical and laboratory data are collected to screen the risk factors for ARDS in MSAF neonates, multivariate logistic regression was performed to identify independent predictors and establish a nomogram to predict the occurrence of neonatal ARDS.

Results

We recognized five variables as independent risk factors for ARDS with MSAF neonates via logistic regression analysis, consisting of 1‐min Apgar score (Apgar 1 min), white blood cell (WBC), platelet (PLT), red cell distribution width (RDW) and serum calcium (Ca). These predictors were integrated into a nomogram designed to estimate the individual risk of ARDS development in neonates. The predictive model achieved a C‐index of 0.942 (95% CI: 0.915‐0.970), indicating high predictive accuracy. Additionally, the nomogram was internally validated, demonstrating excellent calibration and practical utility for clinical decision‐making.

Conclusions

The validated nomogram, based on five pivotal factors, provides clinicians with a reliable tool for early identification and management of ARDS in MSAF neonates, potentially improving outcomes by facilitating timely and appropriate therapeutic interventions.
Case Report: Alpha‐Gal Diagnosis in an Adolescent With Cystic Fibrosis
Authors: Coyne Sean , Condren Michelle
Published: November 2024

A 17‐year‐old female with cystic fibrosis was diagnosed with alpha‐gal syndrome after 6 months of progressively worsening abdominal pain. Alpha‐gal is an acquired allergy to mammalian products that can impact what individuals are able to consume. This syndrome may impact an individual's ability to take medications that are animal derived or contain animal derived excipients. Through dietary removal of mammalian products, she was able to see a reduction in gastrointestinal symptoms. With the success of dietary modifications and modification of her allergy medication formulation, maintenance medication changes did not need to be made. This allowed her to continue her pre‐established medication treatment plan (including exogenous pancreatic enzymes). This case highlights potential complexities in medication management of alpha‐gal syndrome in an adolescent with cystic fibrosis.
Using Short Molecular Dynamics Simulations to Determine the Important Features of Interactions in Antibody–Protein Complexes
Authors: Richard A. Clay , Pantazes Robert J.
Published: November 2024

The last few years have seen the rapid proliferation of machine learning methods to design binding proteins. Although these methods have shown large increases in experimental success rates compared to prior approaches, the majority of their predictions fail when they are experimentally tested. It is evident that computational methods still struggle to distinguish the features of real protein binding interfaces from false predictions. Short molecular dynamics simulations of 20 antibody–protein complexes were conducted to identify features of interactions that should occur in binding interfaces. Intermolecular salt bridges, hydrogen bonds, and hydrophobic interactions were evaluated for their persistences, energies, and stabilities during the simulations. It was found that only the hydrogen bonds where both residues are stabilized in the bound complex are expected to persist and meaningfully contribute to binding between the proteins. In contrast, stabilization was not a requirement for salt bridges and hydrophobic interactions to persist. Still, interactions where both residues are stabilized in the bound complex persist significantly longer and have significantly stronger energies than other interactions. Two hundred and twenty real antibody–protein complexes and 8194 decoy complexes were used to train and test a random forest classifier using the features of expected persistent interactions identified in this study and the macromolecular features of interaction energy (IE), buried surface area (BSA), IE/BSA, and shape complementarity. It was compared to a classifier trained only on the expected persistent interaction features and another trained only on the macromolecular features. Inclusion of the expected persistent interaction features reduced the false positive rate of the classifier by two‐ to five‐fold across a range of true positive classification rates.
Enhancing Student Comprehension of Glucose Metabolism Visualization Through Virtual Simulation Platform: An Educational Approach
Authors: Ge Luna , Feng Tingting , Cao Shuo , Yin Hang , Zhang Yuang , Pan Jihong , Chen Wei , Cheng Kai , Wang Lin
Published: November 2024

With the rapid progression of biotechnology, the significance translational research on glycolysis in molecular pharmacology has become increasingly evident. To deepen students' understanding of glycolytic processes and facilitate their comprehension of drug action mechanisms, we have developed a visual virtual simulation platform dedicated glycolysis. The educational approach commenced with theoretical lectures on glycolysis, followed by practical laboratory sessions where students measured glycolysis‐related parameters such as hexokinase, pyruvate kinase, and lactate. Students then engaged with the virtual simulation training platform to explore glycolytic stress tests and positron emission tomography/computed tomography (PET/CT) imaging, with their progress tracked through an assessment mode. The study involved 67 s‐year undergraduate students majoring in biomedical sciences, all of whom had received instruction in glucose metabolism theories and completed the associated questionnaires. The results showed that the students gained a deeper understanding of glycolysis and the clinical application of PET/CT imaging in the context of glycolysis. The majority also agreed that the integration of scientific and clinical cases in teaching is beneficial and that the project sparked their interest in scientific research. These findings align with existing literature that emphasizes the importance of innovative educational tools in enhancing student engagement and understanding of the underlying theories of the curriculum. This project designed an innovative glycolytic metabolism teaching system encompassing the monitoring of traditional glycolytic indicators, glycolytic stress tests, and PET/CT imaging based on glycolysis. The visual virtual simulation platform for glycolysis can serve as an innovative educational tool in the molecular pharmacology curriculum or other courses involving glycolysis, assisting students in deeply understanding the molecular mechanisms of glycolysis and its significance in disease and drug action.
Sulfone derivatives containing an oxazole moiety as potential antibacterial agents: design, synthesis, antibacterial activity, and mechanism
Authors: Zhang Yong , Zhu Mei , Zhu Zongnan , Zou Yue , Liu Xing , Chen Jixiang
Published: November 2024

BACKGROUND

Bacterial diseases in plants pose a serious threat to crop production, leading to substantial food loss every year. Prolonged and repeated use of a single antibacterial agent can promote resistance in pathogenic bacteria. Therefore, there is an urgent need to develop efficient antibacterial agents for the treatment of bacterial diseases.

RESULTS

Sulfone derivatives containing an oxazole moiety were designed and synthesized. Subsequently, their biological activities were evaluated. The half‐maximal effective concentration (EC50) value of compound F10 against Xanthomonas oryzae pv. oryzicola (Xoc) was 1.1 mg/L, which was higher than those of commercial antibacterial agents, thiodiazole‐copper (91.5 mg/L) and bismerthiazol (76.0 mg/L). The curative and protective effects of compound F10 against bacterial leaf streak in rice were 43.8% and 48.4%, respectively, at 200 mg/L, which were significantly superior to those of thiodiazole‐copper (25.0% and 25.8%, respectively) and bismerthiazol (31.3% and 38.7%, respectively). Compound F10 inhibits Xoc by increasing the permeability of the cell membrane, inhibiting the production of extracellular polysaccharides, and affecting flagellar movement on the cell membrane. In addition, F10 reduces the pathogenicity of pathogenic bacteria, induces the accumulation of reactive oxygen species (ROS) in pathogenic bacteria, and produces adverse reactions. Compound F10 weakens bacterial pathogenicity by affecting the signal transduction of plant hormones, programmed cell death, and enhancing the ability to resist infection through the autoimmune response of rice.

CONCLUSION

Therefore, compound F10 can be used as a potential antibacterial agent in future applications. © 2024 Society of Chemical Industry.
Advantage of Non‐Gaussian Operations in Phase Estimation via Mach–Zehnder Interferometer
Authors: Verma Manali , Kumar Chandan , Mishra Karunesh K. , Panigrahi Prasanta K.
Published: November 2024

This study investigates the benefits of probabilistic non‐Gaussian operations in phase estimation using difference‐intensity and parity detection‐based Mach–Zehnder interferometers (MZI). An experimentally implementable model is considered to perform three different non‐Gaussian operations, namely photon subtraction (PS), photon addition (PA), and photon catalysis (PC) on a single‐mode squeezed vacuum (SSV) state. The findings reveal that all non‐Gaussian operations except one PC operation provide an advantage in either of the measurement schemes. This result is further supported by the analysis of the quantum Cramér–Rao bound. When accounting for the success probability of non‐Gaussian operations, two‐PC and four‐PA emerges as the most optimal operations in difference‐intensity and parity detection‐based MZI, respectively. Additionally, the corresponding squeezing and transmissivity parameters that yields the best performance are identified, making the study relevant for experimentalists. Furthermore, a general expression for the moment‐generating function is derived, which is useful in exploring other detection schemes such as homodyne detection and quadratic homodyne detection.
Generation of Tunable Three‐Photon Entanglement in Cubic Nonlinear Coupled Waveguides
Authors: Bacaoco Miguel Y. , Galettis Max J. , Huang James , Ilin Denis , Solntsev Alexander S.
Published: November 2024

The generation of three‐photon states with spatial entanglement in cubic nonlinear coupled waveguides is theoretically investigated using third‐order spontaneous parametric down‐conversion and quantum walks. This approach involves independently pumping two coupled waveguides to generate a path‐encoded three‐photon Greenberger–Horne–Zeilinger (GHZ) state, which then evolves with complex spatial dynamics governed by coupling coefficients and phase mismatch. By appropriate parameter tuning, the generation of robust heralded Bell states is demonstrated, uniform states, and GHZ‐like states at the chip output. This work demonstrates an integrated source of three‐photon spatial entanglement on a simple chip, offering additional reconfigurability for advanced multiphoton quantum applications.
Novel Cephalosporins Against the Main Protease of SARS CoV (Mpro O, MproWT): Molecular Docking and DFT Study
Authors: Mubarik Adeel , Khan Muhammad Asim , Mutahir Sadaf , Almehizia Abdulrahman A. , Ju Xue‐Hai
Published: November 2024

Our study predicts potential inhibitors targeting nucleophilic catalytic dyed residues H41 and C145 of Mpro WT and Mpro omicron (Mpro O) following drug designing method protocols. Docking studies were used to find potent and efficient inhibitors that can compete with ATP for binding to a particular target protein location. Both proteins' structures were docked against library of cephalosporin derivatives, that is, Mpro WT and Mpro omicron are predicted with binding energy (ΔG bind‐PB) in range −11.501 to −14.8396 kcal/mol. It has been discovered that several kinds of residues, particularly His41, Cys145, Gly143, Gln189, His132, and Gln109, are necessary for the continual existence of inhibitors in the active pocket. DFT studies were also carried out to calculate optimized geometries, energies of HOMO–LUMO, MEP, and global chemical reactivity descriptors were obtained. In addition, the 1H‐NMR chemical shift of compounds was calculated using the GIAO method; the shifts of the molecules are in good agreement with the experimental value. In this series, compound 3N has the lowest ∆E value (3.31 eV) and compound 3C has the highest ∆E value (3.66 eV) showing them the most and the least reactive, respectively. According to this research, these ligands appear to have a bright future as SARS‐CoV‐2 treatment drugs.