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Atmospheric air plasma pre-activation and customizable covalent functionalization of PVDF-membranes of microtiter filter plates.
Sci Rep
January 2025
Department of Pharmaceutical Chemistry, Semmelweis University, Hőgyes Endre U. 9, 1092, Budapest, Hungary.
Microtiter-plate-based systems are unified platforms of high-throughput experimentation (HTE). These polymeric devices are used worldwide on a daily basis-mainly in the pharmaceutical industry-for parallel syntheses, reaction optimization, various preclinical studies and high-throughput screening methods. Accordingly, laboratory automation today aims to handle these commercially available multiwell plates, making developments focused on their modifications a priority area of modern applied research.
View Article and Find Full Text PDFA multiscale molecular structural neural network for molecular property prediction.
Mol Divers
January 2025
Key Laboratory for Macromolecular Science of Shaanxi Province, School of Chemistry and Chemical Engineering, Shaanxi Normal University, Xi'an, 710119, People's Republic of China.
Molecular Property Prediction (MPP) is a fundamental task in important research fields such as chemistry, materials, biology, and medicine, where traditional computational chemistry methods based on quantum mechanics often consume substantial time and computing power. In recent years, machine learning has been increasingly used in computational chemistry, in which graph neural networks have shown good performance in molecular property prediction tasks, but they have some limitations in terms of generalizability, interpretability, and certainty. In order to address the above challenges, a Multiscale Molecular Structural Neural Network (MMSNet) is proposed in this paper, which obtains rich multiscale molecular representations through the information fusion between bonded and non-bonded "message passing" structures at the atomic scale and spatial feature information "encoder-decoder" structures at the molecular scale; a multi-level attention mechanism is introduced on the basis of theoretical analysis of molecular mechanics in order to enhance the model's interpretability; the prediction results of MMSNet are used as label values and clustered in the molecular library by the K-NN (K-Nearest Neighbors) algorithm to reverse match the spatial structure of the molecules, and the certainty of the model is quantified by comparing virtual screening results across different K-values.
View Article and Find Full Text PDFA platform combining automatic segmentation and automatic measurement of the maxillary sinus and adjacent structures.
Clin Oral Investig
January 2025
State Key Laboratory of Oral Diseases & National Center for Stomatology & National Clinical Research Center for Oral Diseases, West China Hospital of Stomatology, Sichuan University, Chengdu, Sichuan, 610041, China.
Objectives: To develop a platform including a deep convolutional neural network (DCNN) for automatic segmentation of the maxillary sinus (MS) and adjacent structures, and automatic algorithms for measuring 3-dimensional (3D) clinical parameters.
Materials And Methods: 175 CBCTs containing 242 MS were used as the training, validating and testing datasets at the ratio of 7:1:2. The datasets contained healthy MS and MS with mild (2-4 mm), moderate (4-10 mm) and severe (10- mm) mucosal thickening.
Integrated Effects of Water and Nitrogen Coupling on Eggplant Productivity, Fruit Quality, and Resource Use Efficiency in a Cold and Arid Environment.
Plants (Basel)
January 2025
College of Water Conservancy and Hydropower Engineering, Gansu Agricultural University, Lanzhou 730070, China.
In order to explore the water and fertilizer requirements of eggplants in the western oasis of the river, the experiment was conducted in Minle County of Gansu Province in 2022 and 2023 under three water stress gradients and three nitrogen application levels: (1) moderate water stress (W, 50-60% in field water capacity [FC]), mild water stress (W, 60-70% in FC), and full irrigation (W, 70-80% in FC); (2) low nitrogen (N, 215 kg·ha), medium nitrogen (N, 270 kg·ha), and high nitrogen (N, 325 kg·ha). Moderate and mild water stress were applied during eggplant flowering and fruiting while full irrigation was provided during the other growth stages; a control class (CK) was established with full irrigation throughout the whole plant growth without nitrogen application. This study investigated the effects of water-saving and nitrogen reduction on the yield, quality, and water-nitrogen use efficiency of eggplants in a cold and arid environment in the Hexi Oasis irrigation area of China.
View Article and Find Full Text PDFExploring the Underlying Mechanism of Weiling Decoction Alleviates Cold-Dampness Diarrhea Based on Network Pharmacology, Transcriptomics, Molecular Docking and Experimental Validation.
Pharmaceuticals (Basel)
January 2025
National Key Laboratory of Veterinary Public Health Security, College of Veterinary Medicine, China Agricultural University, Beijing 100193, China.
: Cold-dampness diarrhea (CDD) is a common gastrointestinal disorder in children, characterized by diarrhea and intestinal barrier dysfunction. Weiling decoction (WLD) is frequently used in clinical practice to treat CDD, a condition triggered by multiple factors. However, the molecular mechanisms underlying its therapeutic effects remain poorly understood.
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