Search Results (13,868)

Background: Tyrosyl-DNA phosphodiesterase 1 (Tdp1) repairs damages in DNA induced by abortive topoisomerase 1 activity; however, maintenance of genetic integrity may sustain cellular division of neoplastic cells. It follows that Tdp1-targeting chemical inhibitors could synergize well with existing chemotherapy drugs to deny cancer growth; therefore, identification of Tdp1 inhibitors may advance precision medicine in oncology. Objective: Current computational research efforts focus primarily on molecular docking simulations, though datasets involving three-dimensional molecular structures are often hard to curate and computationally expensive to store and process. We propose the use of simplified molecular input line entry system (SMILES) chemical representations to train supervised machine learning (ML) models, aiming to predict potential Tdp1 inhibitors. Methods: An open-sourced consensus dataset containing the inhibitory activity of numerous chemicals against Tdp1 was obtained from Kaggle. Various ML algorithms were trained, ranging from simple algorithms to ensemble methods and deep neural networks. For algorithms requiring numerical data, SMILES were converted to chemical descriptors using RDKit, an open-sourced Python cheminformatics library. Results: Out of 13 optimized ML models with rigorously tuned hyperparameters, the random forest model gave the best results, yielding a receiver operating characteristics-area under curve of 0.7421, testing accuracy of 0.6815, sensitivity of 0.6444, specificity of 0.7156, precision of 0.6753, and F1 score of 0.6595. Conclusions: Ensemble methods, especially the bootstrap aggregation mechanism adopted by random forest, outperformed other ML algorithms in classifying Tdp1 inhibitors from non-inhibitors using SMILES. The discovery of Tdp1 inhibitors could unlock more treatment regimens for cancer patients, allowing for therapies tailored to the patient’s condition. Full article

The next decade will see severe environmental and technological risks, pushing our adaptive capacity to its limits. The EPBD Case Green directive, to counter this phenomenon, emphasizes accelerating building renovations, reducing GHG emissions and energy consumption, and promoting renewable energy installations. Additionally, it calls for deadlines to phase out fossil fuels and mandates solar system installations. This research provides a comprehensive perspective on the opportunities for and challenges of incorporating renewable energy into the built environment. It focuses on the 2961 residential buildings on Procida, a small island located south of Italy, to efficiently utilize energy resources and lay the groundwork for sustainability. Beginning with an analysis of the territorial, urban, historical–conservation, structural, and geological context, in addition to environmental assessments, the research develops a classification and archetypalization system using in-house software. This system aggregates data on the island’s residential buildings, analyzes their current state, and formulates various intervention scenarios. These scenarios demonstrate how integrating technological–environmental design interventions, such as upgrading the building envelope and enhancing bioclimatic behavior, with energy retrofitting measures, such as replacing mechanical systems and installing solar panels, can improve the overall performance of the existing building stock and achieve energy self-sufficiency. Full article

The use of Generally Recognized as Safe (GRAS)-grade microbial cell factories to produce recombinant protein-based nutritional products is a promising trend in developing food and health supplements. In this study, GRAS-grade Kluyveromyces marxianus was employed to express recombinant human heavy-chain ferritin (rhFTH), achieving a yield of 11 g/L in a 5 L fermenter, marking the highest yield reported for ferritin nanoparticle proteins to our knowledge. The rhFTH formed 12 nm spherical nanocages capable of ferroxidase activity, which involves converting Fe²⁺ to Fe³⁺ for storage. The rhFTH-containing yeast cell lysates promoted cytokine secretion (tumor necrosis factor-α (TNF-α), interleukin-6 (IL-6), and -1β (IL-1β)) and enhanced locomotion, pharyngeal pumping frequency, egg-laying capacity, and lifespan under heat and oxidative stress in the RAW264.7 mouse cell line and the C. elegans model, respectively, whereas yeast cell lysate alone had no such effects. These findings suggest that rhFTH boosts immunity, holding promise for developing ferritin-based food and nutritional products and suggesting its adjuvant potential for clinical applications of ferritin-based nanomedicine. The high-yield production of ferritin nanoparticles in K. marxianus offers a valuable source of ferritin for the development of ferritin-based products. Full article

Global warming has caused many species to become endangered or even extinct. Describing and predicting how species will respond to global warming is one of the hotspots of biodiversity research. Species distribution models predict the potential distribution of species based on species occurrence data. However, the impact of the accuracy of the distribution data on the prediction results is poorly studied. In this study, we used the endemic plant Litsea auriculata (Lauraceae) as a case study. By collecting and assembling six different datasets of this species, we used MaxEnt to perform species distribution modeling and then conducted comparative analyses. The results show that, based on our updated complete correct dataset (dataset 1), the suitable distribution of this species is mainly located in the Ta-pieh Mountain, southwestern Hubei and northern Zhejiang, and that mean diurnal temperature range (MDTR) and temperature annual range (TAR) play important roles in shaping the distribution of Litsea auriculata. Compared with the correct data, the wrong data leads to a larger and expanded range in the predicted distribution area, whereas the species modeling based on the correct but incomplete data predicts a small and contracted range. We found that only about 23.38% of Litsea auriculata is located within nature reserves, so there is a huge conservation gap. Our study emphasized the importance of correct and complete distribution data for accurate prediction of species distribution regions; both incomplete and incorrect data can give misleading prediction results. In addition, our study also revealed the distribution characteristics and conservation gap of Litsea auriculata, laying the foundation for the development of reasonable conservation strategies for this species. Full article

Poplar trees are significant for both economic and ecological purposes, and the fall webworm (Hyphantria cunea Drury) poses a major threat to their plantation in China. The preliminary resistance assessment in the previous research indicated that there were differences in resistance to the insect among these varieties, with ‘2KEN8’ being more resistant and ‘Nankang’ being more susceptible. The present study analyzed the dynamic changes in the defensive enzymes and metabolic profiles of ‘2KEN8’ and ‘Nankang’ at 24 hours post-infestation (hpi), 48 hpi, and 96 hpi. The results demonstrated that at the same time points, compared to susceptible ‘Nankang’, the leaf consumption by H. cunea in ‘2KEN8’ was smaller, and the larval weight gain was slower, exhibiting clear resistance to the insect. Biochemical analysis revealed that the increased activity of the defensive enzymes in ‘2KEN8’ triggered by the feeding of H. cunea was significantly higher than that of ‘Nankang’. Metabolomics analysis indicated that ‘2KEN8’ initiated an earlier and more intense reprogramming of the metabolic profile post-infestation. In the early stages of infestation, the differential metabolites induced in ‘2KEN8’ primarily included phenolic compounds, flavonoids, and unsaturated fatty acids, which are related to the biosynthesis pathways of phenylpropanoids, flavonoids, unsaturated fatty acids, and jasmonates. The present study is helpful for identifying the metabolic biomarkers for inductive resistance to H. cunea and lays a foundation for the further elucidation of the chemical resistance mechanism of poplar trees against this insect. Full article

A mathematical model is established to investigate the economic effects of infectious diseases. The distribution of wealth among two types of agents in the context of the epidemic is discussed. Using the method of statistical mechanics, the evolution of the entropy weak solutions for the model of the susceptible and the infectious involving wealth density functions is analyzed. We assume that as time tends to infinity, the wealth density function of the infectious is linearly related to the wealth density function of the susceptible individuals. Our results indicate that the spreading of disease significantly affects the wealth distribution. When time tends to infinity, the total wealth density function behaves as an inverse gamma distribution. Utilizing numerical experiments, the distribution of wealth under the epidemic phenomenon and the situation of wealth inequality among agents are discussed. Full article

Polycyclic aromatic hydrocarbons (PAHs) represent important toxic compounds formed in meat products during processing. This study aims to analyze 22 PAHs by QuEChERS coupled with GC–MS/MS in canned minced chicken and pork during processing. After marinating raw minced chicken and pork separately with a standard flavoring formula used for canning meat in Taiwan, they were subjected to different processing conditions including stir-frying, degassing and sterilizing at 115 °C/60 min (low-temperature–long-time, LTLT) and 125 °C/25 min (high-temperature–short-time, HTST). The quantitation of PAHs in these meat products revealed the formation of only three PAHs including acenaphthylene (AcPy), acenaphthene (AcP) and pyrene (Pyr) in canned minced chicken and pork during processing with no significant difference in total PAHs between the meat types. Analysis of PAH precursors showed the presence of benzaldehyde at the highest level, followed by 2-cyclohexene-1-one and trans,trans-2,4-decadienal in canned minced chicken and pork, suggesting PAH formation through the reaction of benzaldehyde with linoleic acid degradation products and of 2-cyclohexene-1-one with C4 compounds through the Diels–Alder reaction, as well as the reaction of trans,trans-2,4-decadienal with 2-butene. Monounsaturated and polyunsaturated fatty acids were present in the largest proportion in LTLT-sterilized chicken/pork, followed by HTST-sterilized chicken/pork and raw chicken/pork, and their levels did not show a high impact on PAH formation, probably due to an insufficient heating temperature and length of time. A two-factorial analysis suggested that PAH formation was not significantly affected by the sterilization condition or meat type. Principal component analysis corroborated the observed results implying the formation of PAHs in canned minced chicken/pork under different processing conditions with an insignificant difference (p > 0.05) between them, with the individual PAH content following the order of Pyr > AcPy > AcP. Full article

The genus Cinnamomum exhibits a rich variety of chemotypes and is an economically important essential oil (EO)-producing plant belonging to the family Lauraceae. Here, we aimed to explore the potential differences in the terpenoid (the principal components of EOs) biosynthesis pathways of different chemotypes at the molecular level in four Cinnamomum species—C. camphora var. linaloolifera, C. kanehirae, C. longipaniculatum, and C. micranthum. Gas chromatography–mass spectrometry (GC-MS) was employed to elucidate the discrepancies in the chemical profiles and compositions of leaf EO terpenoids among the four Cinnamomum species. The results revealed significant variations in leaf EO yields. The main constituents of the leaf EOs from C. camphora var. linaloolifera and C. kanehirae were the acyclic monoterpene linalool, and those of C. longipaniculatum and C. micranthum were the monoterpene eucalyptol and the sesquiterpene β-caryophyllene, respectively. Furthermore, a comparative transcriptome analysis of the leaves from the four Cinnamomum species revealed that differentially expressed genes (DEGs) were significantly enriched in terpene-related entries. Specifically, 42 and 24 DEGs were significantly enriched to the mevalonate (MVA)/2-methylerythritol 4-phosphate (MEP) pathways and terpene synthase (TPS) activity, respectively. Most genes encoding proteins involved in the terpenoid precursor MVA and MEP pathways exhibited differential expression across the four species, which correlated with the distinct terpenoid profiles observed in their leaf EOs. Four acyclic monoterpene linalool synthase genes—Maker00024100, Maker00014813, Maker00014818, and Maker00018424—were highly expressed in C. camphora var. linaloolifera and C. kanehirae. A monoterpene eucalyptol synthesis gene, Maker00001509, was highly expressed in C. longipaniculatum, and a sesquiterpene β-stigmasterol synthesis gene, Maker00005791, was highly expressed in C. micranthum. These expression levels were subsequently validated through quantitative real-time polymerase chain reaction (qRT-PCR). In conclusion, the combined results of the GC-MS and transcriptome analyses revealed a strong correlation between the metabolite content of the EOs and gene expression. This research contributes to a better understanding of the differences in terpene accumulation in various chemotypes of Cinnamomum at the molecular and mechanistic levels, laying a solid foundation for the cultivation of an ideal Cinnamomum variety. Full article

Precisely determining how cables distribute their current-carrying capacity and temperature field is crucial for the dependable and cost-effective functioning of power grids. Firstly, the power cable structure and the advantages and disadvantages of different laying methods are analyzed in detail. Secondly, the theoretical model of current-carrying capacity calculation and temperature field of power cables, including heat convection, heat conduction, and heat radiation, is constructed, and the method for calculating cable current-carrying capacity, relying on the double-point chordal interception method, is suggested. Then, the COMSOL multiphysics 6.2 finite element simulation software is utilized to create a simulation model that aligns with the real cable laying technique. Finally, the current-carrying capacity and temperature field of power cables are simulated and analyzed for different arrangements of power cables in three laying modes, namely directly buried, row pipe, and trench. The simulation results show that the cable laying method greatly affects the cable’s carrying capacity; the more centralized the cable distribution, the smaller the flow. The method can be realized in different ways of laying power cables in the real-time rapid calculation of flow as the actual laying of power cables has an important reference and reference significance. Full article

Cu interconnect chemical mechanical polishing (CMP) technology has been continuously evolving, leading to increasingly stringent post-CMP cleaning requirements. To address the environmental pollution caused by traditional post-CMP cleaning solutions, we have explored the use of photocatalytic processes to remove citric acid, which is a commonly used complexing agent for CMP. In this study, CeO₂ abrasives, characterized by a hardness of 5.5, are extensively employed in CMP. Importantly, CeO₂ also exhibits a suitable band structure with a band gap of 2.27 eV, enabling it to photocatalytically remove citric acid, a commonly used complexing agent in Cu CMP. Additionally, the integration of H₂O₂, an essential oxidant in Cu CMP, enhances the photocatalytic degradation efficiency. The research indicates that the removal rate of single-phase CeO₂ was 1.78 mmol/g/h and the degradation efficiency increased by 40% with the addition of H₂O₂, attributed to the hydroxyl radicals generated from a Fenton-like reaction between H₂O₂ and CeO₂. These findings highlight the potential of photocatalytic processes to improve organic contaminant removal in post-CMP cleaning, offering a more sustainable alternative to conventional practices. Full article

This study explores the intersection of folklore and literature, specifically examining how a methodology developed for interpreting wondertales can be applied to a complex literary corpus, such as Marcel Proust’s À la recherche du temps perdu (In Search of Lost Time). The discussion proposes a case study for the use of allomotifs, or interchangeable motifs, to understand symbolic patterns in Proust’s literary work. The paper lays bare a widespread metaphorical field in wondertales, then follows its complications in the Proustian corpus. It suggests that Proust’s œuvre, much like folklore, operates within a symbolic universe where binary oppositions, such as good and evil or male and female, are fluid and dynamic. The discussion shows that Proust’s literary imagination aligns surprisingly well with the workings of folklore. This hybrid space of the imagination challenges conventional distinctions between folklore and literature, and brings to mind Lévi-Strauss’ erstwhile ruminations on the pensée sauvage. Full article

This study presents an innovative approach to sustainable timber construction by integrating traditional woodworking techniques with advanced robotic technology. The research focuses on three key objectives: preserving traditional craftsmanship, enhancing material conservation, and improving production efficiency. A meta-model-based framework is developed to capture the woodcrafts of mortise and tenon joints, which are prevalent in traditional Chinese wooden architecture. The study employs parametric design and robotic arm technology to digitize and automate the production process, resulting in significant improvements in material utilization and processing efficiency. Specifically, this study utilizes genetic algorithm strategies to resolve the problem of complex mortise and tenon craftsmanship optimization for robotic arms. Compared to conventional CNC machining, the proposed method demonstrates superior performance in path optimization, reduced material waste, and faster production times. The research contributes to the field of sustainable architecture by offering a novel solution that balances the preservation of cultural heritage with modern construction demands. This approach not only ensures the continuity of traditional woodworking skills but also addresses contemporary challenges in sustainable building practices, paving the way for more environmentally friendly and efficient timber construction methods. Full article

Dihydroflavonol 4-reductase (DFR) significantly influences the modification of flower color. To explore the role of DFR in the synthesis of strawberry anthocyanins, in this study, we downloaded the CDS sequences of the DFR gene family from the Arabidopsis genome database TAIR; the DFR family of forest strawberry was compared; then, a functional domain screen was performed using NCBI; the selected strawberry DFR genes were analyzed; and the expression characteristics of the family members were studied by qRT-PCR. The results showed that there are 57 members of the DFR gene family in strawberry, which are mainly expressed in the cytoplasm and chloroplast; most of them are hydrophilic proteins; and the secondary structure of the protein is mainly composed of α-helices and random coils. The analysis revealed that FvDFR genes mostly contain light, hormone, abiotic stress, and meristem response elements. From the results of the qRT-PCR analysis, the relative expression of each member of the FvDFR gene was significantly different, which was expressed throughout the process of fruit coloring. Most genes had the highest expression levels in the full coloring stage (S4). The expression of FvDFR30, FvDFR54, and FvDFR56 during the S4 period was 8, 2.4, and 2.4 times higher than during the S1 period, indicating that the DFR gene plays a key role in regulating the fruit coloration of strawberry. In the strawberry genome, 57 members of the strawberry DFR gene family were identified. The higher the DFR gene expression, the higher the anthocyanin content, and the DFR gene may be the key gene in anthocyanin synthesis. Collectively, the DFR gene is closely related to fruit coloring, which lays a foundation for further exploring the function of the DFR gene family. Full article

Rapidly capturing the spatial distribution of soil salinity plays important roles in saline soils’ management. Existing studies mostly focus on the macroscopic distribution of soil-salinity changes, lacking effective methods to detect the structure of micro-regional areas of soil-salinity anomalies. To overcome this problem, this study proposes a 3D Soil-Salinity Anomaly Structure Extraction (3D-SSAS) methodology to discover soil-salinity anomalies and step forward in revealing the irregular 3D structure of soil-anomaly salinity areas from limited sampling points. We first interpolate the sampling points to soil voxels using 3D EBK. A novel concept, the Local Anomaly Index (LAI), is developed to identify the candidate soil-salinity anomalies with the greatest amplitude of change. By performing differential calculations on the LAI sequence to determine the threshold, the anomaly candidates are selected. Finally, we adopt 3D DBSCAN to construct anomalous candidates as a 3D soil-salinity anomaly structure. The experimental results from the Yellow River Delta data set show that 3D-SSAS can effectively identify the 3D structure of salinity-anomaly areas, which are highly correlated with the geographical distribution mechanism of soil salinity. This study provides a novel method for soil science, which is conducive to further research on the complex variation process of soil salinity’s spatial distribution. Full article

The North China Plain is among the regions most afflicted by ground fissure disasters in China. Recent urbanization has accelerated ground fissure activity in the three counties of the northern North China Plain, posing significant threats to both the natural environment and socioeconomic sustainability. Despite the increased attention, a lack of comprehensive understanding persists due to delayed recognition and limited research. This study conducted field visits and geological surveys across 43 villages and 80 sites to elucidate the spatial distribution patterns of ground fissures in the aforementioned counties. By integrating these findings with regional geological data, we formulated a causative model to explain ground fissure formation. Our analysis reveals a concentration of ground fissures near the Niuxi and Rongxi faults, with the former exhibiting the most extensive distribution. The primary manifestations of ground fissures include linear cracks and patch-shaped collapse pits, predominantly oriented in east-west and north-south directions, indicating tensile failure with minimal vertical displacement. Various factors contribute to ground fissure development, including fault activity, ancient river channel distribution, bedrock undulations, rainfall, and ground settlement. Fault activity establishes a concealed fracture system in shallow geotechnical layers, laying the groundwork for ground fissure formation. Additionally, the distribution of ancient river channels and bedrock undulations modifies regional stress fields, further facilitating ground fissure emergence. Rainfall and differential ground settlement serve as triggering mechanisms, exposing ground fissures at the surface. This research offers new insights into the causes of ground fissures in the northern North China Plain, providing crucial scientific evidence for sustaining both the natural environment and the socio-economic stability of the region. Full article