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INTRODUCTION: Compound annotation is always a challenging step in metabolomics studies. The molecular networking strategy has been developed recently to organize the relationship between compounds as a network based on their tandem mass (MS2) spectra similarity, which can be used to improve compound annotation in metabolomics analysis. OBJECTIVE: This study used Bupleuri Radix from different geographic areas to evaluate the performance of molecular networking strategy for compound annotation in liquid chromatography-mass spectrometry (LC-MS)-based metabolomics. METHODOLOGY: The Bupleuri Radix extract was analyzed by LC-quadrupole time-of-flight MS under MSe acquisition mode. After raw data preprocessing, the resulting dataset was used for statistical analysis, including principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA). The chemical makers related to the sample growth place were selected using variable importance in projection (VIP) > 2, fold change (FC) > 2, and p < 0.05. The molecular networking analysis was applied to conduct the compound annotation. RESULTS: The score plots of PCA showed that the samples were classified into two clusters depending on their growth place. Then, the PLS-DA model was constructed to explore the chemical changes of the samples further. Sixteen compounds were selected as chemical makers and tentatively annotated by the feature-based molecular networking (FBMN) analysis. CONCLUSION: The results showed that the molecular networking method fully exploits the MS information and is a promising tool for facilitating compound annotation in metabolomics studies. However, the software used for feature extraction influenced the results of library searching and molecular network construction, which need to be taken into account in future studies.
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Introduction: The study addresses challenges in detecting cotton leaf pests and diseases under natural conditions. Traditional methods face difficulties in this context, highlighting the need for improved identification techniques. Methods: The proposed method involves a new model named CFNet-VoV-GCSP-LSKNet-YOLOv8s. This model is an enhancement of YOLOv8s and includes several key modifications: (1) CFNet Module. Replaces all C2F modules in the backbone network to improve multi-scale object feature fusion. (2) VoV-GCSP Module. Replaces C2F modules in the YOLOv8s head, balancing model accuracy with reduced computational load. (3) LSKNet Attention Mechanism. Integrated into the small object layers of both the backbone and head to enhance detection of small objects. (4) XIoU Loss Function. Introduced to improve the model's convergence performance. Results: The proposed method achieves high performance metrics: Precision (P), 89.9%. Recall Rate (R), 90.7%. Mean Average Precision (mAP@0.5), 93.7%. The model has a memory footprint of 23.3MB and a detection time of 8.01ms. When compared with other models like YOLO v5s, YOLOX, YOLO v7, Faster R-CNN, YOLOv8n, YOLOv7-tiny, CenterNet, EfficientDet, and YOLOv8s, it shows an average accuracy improvement ranging from 1.2% to 21.8%. Discussion: The study demonstrates that the CFNet-VoV-GCSP-LSKNet-YOLOv8s model can effectively identify cotton pests and diseases in complex environments. This method provides a valuable technical resource for the identification and control of cotton pests and diseases, indicating significant improvements over existing methods.
