98%
921
2 minutes
20
Cancer is one of the most serious health problems worldwide. Because cancer has no specific symptoms in its early stages, it is often not diagnosed until it is in advanced stages, reducing the likelihood of successful treatment. Therefore, early diagnosis of cancer is a formidable challenge. Mass spectrometry-based proteomics offers a robust technical foundation for cancer diagnosis. However, mass spectrometry data are characterized by high dimensionality, large data volume, and noise interference, which can lead to diagnostic errors in clinical applications. To address this challenge, an improved algorithm combining principal component analysis (PCA) with a convolutional neural network (CNN) algorithm (denoted as PCA-1DSE-ResCNN) was proposed to assist in analyzing high-dimensional mass spectral data. The algorithm initially reduced the dimensionality of the data through the PCA technique. Subsequently, the convolutional neural network algorithm (1DSE-ResCNN) integrating residual blocks and squeeze-and-excitation blocks was used as a classifier. This approach can not only alleviate the issues of overfitting and gradient vanishing caused by deep network layers but also reduce redundant information, enabling the algorithm to effectively learn high-dimensional data features and deal with nonlinear relationships. To validate the effectiveness of the algorithm, the high-dimensional ovarian cancer mass spectrometry dataset was selected as an example to examine its application performance in early diagnosis of ovarian cancer. The experimental results demonstrated that the PCA-1DSE-ResCNN algorithm outperforms other methods in terms of accuracy, specificity, and sensitivity on three high-dimensional ovarian cancer datasets. This study will contribute to the rapid diagnosis and early detection of cancer.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1039/d4an00784k | DOI Listing |
Anal Chem
September 2025
Department of Chemistry, The University of Akron, Akron, Ohio 44325, United States.
Tires are complex polymeric materials composed of rubber elastomers (both natural and synthetic), fillers, steel wire, textiles, and a range of antioxidant and curing systems. These constituents are distributed differently among the various tire parts, which are classified based on their function and proximity to the rim. This study presents a rapid and sensitive approach for the characterization of tire components using mild thermal desorption/pyrolysis (TDPy) coupled to direct analysis in real-time mass spectrometry (DART-MS).
View Article and Find Full Text PDFChem Biodivers
September 2025
Instituto De Química, Universidade Federal de Mato Grosso Do Sul, Campo Grande, Brazil.
Mezilaurus duckei, a Brazilian endemic tree species found exclusively in the Amazon Rainforest, is primarily exploited for timber in construction. Due to its endangered status, this study aimed to investigate the chemical profile and biological properties of the ethanolic extract and its phases derived from M. duckei leaves.
View Article and Find Full Text PDFChem Biodivers
September 2025
Department of Clinical Pharmacy, College of Pharmacy, University of Sulaimani, Sulaimani, Iraq.
The global rise in antibiotic resistance demands the urgent development of new antibacterial agents. This study investigated the antibacterial potential of four synthesized methoxy and thiophene chalcone derivatives (designated 3a, 4a, 3b, and 4b) against clinically relevant bacterial pathogens. These compounds were prepared through Claisen-Schmidt condensation, while their chemical structures were verified through applying Fourier-transform infrared, mass spectrometry, H nuclear magnetic resonance (NMR), and C NMR.
View Article and Find Full Text PDFJ Am Soc Mass Spectrom
September 2025
Chemistry Department, Indiana University, 800 E Kirkwood Ave, Bloomington, Indiana 47405.
In charge detection mass spectrometry (CD-MS) ions are trapped in an electrostatic linear ion trap (ELIT) where they oscillate back and forth through a conducting cylinder. The oscillating ions induce a periodic charge separation that is detected by a charge sensitive amplifier (CSA) connected to the cylinder. The resulting time domain signal is analyzed using short-time Fourier transforms to give the mass-to-charge ratio and charge for each ion, which are then multiplied to give the mass.
View Article and Find Full Text PDFChem Biodivers
September 2025
Key Lab of Natural Product Chemistry and Application at Universities of Education, Department of Xinjiang Uygur Autonomous Region, School of Chemistry and Chemical Engineering, Yili Normal University, Xinjiang, China.
The persistent threat posed by phytopathogenic fungi to agricultural systems underscores the critical need for novel fungicides. Here, we synthesized and characterized a series of novel acridospiroisoxazole derivatives (H1-H36) using H/C NMR and mass spectrometry. The absolute configuration of compound H23 was confirmed using single-crystal x-ray diffraction analysis.
View Article and Find Full Text PDF