This study concerns the combination of Raman spectroscopy and multivariate statistical analyses for the assessment of lymph nodes in the course of breast cancer diagnostics and staging. Axillary lymph node samples derived from breast cancer patients were measured by Raman microspectroscopy. The resulting Raman maps were pre-processed and cleaned of background noise and low intensity spectra using a novel method based on selecting spectra depending on the distribution of the mean of arbitrary units of all spectra within individual samples. The obtained dataset was used to build different types of Support Vector Machine (SVM) models, including linear, polynomial and radial basis function (RBF). All trained models were tested with an unseen independent dataset in order to allow an assessment of the predictive power of the algorithms. The best performance was achieved by the RBF SVM model, which classified 100% of the independent testing data correctly. In order to compare the SVM performance with traditional chemometric methods a linear discriminant analysis (LDA) model and a partial least square discriminant analysis (PLS-DA) model were generated. The results demonstrate the enhanced performance and clinical potential of the combination of SVMs and Raman spectroscopy and the benefits of the implemented filtering.
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http://dx.doi.org/10.1039/b920229c | DOI Listing |
J Comput Chem
January 2025
Scuola Superiore Meridionale, Napoli, Italy.
Light-driven molecular rotary motors are nanometric machines able to convert light into unidirectional motions. Several types of molecular motors have been developed to better respond to light stimuli, opening new avenues for developing smart materials ranging from nanomedicine to robotics. They have great importance in the scientific research across various disciplines, but a detailed comprehension of the underlying ultrafast photophysics immediately after photo-excitation, that is, Franck-Condon region characterization, is not fully achieved yet.
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December 2024
TDA Research Inc., Golden, CO 80403, USA.
Here we describe the synthesis and evaluation of a molecular corrosion sensor that can be applied in situ in aerospace coatings, then used to detect corrosion after the coating has been applied. A pH-sensitive molecule, 4-mercaptopyridin (4-MP), is attached to a gold nanoparticle to allow surface-enhanced Raman-scattering (SERS) for signal amplification. These SERS nanoparticles, when combined with an appropriate micron-sized carrier system, are incorporated directly into an MIL-SPEC coating and used to monitor the process onset and progression of corrosion using pH changes occurring at the metal-coating interface.
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December 2024
CNR-IPCF, Institute for Chemical-Physical Processes Messina, 98158 Messina, Italy.
Zinc oxide nanoparticles (ZnO NPs) with varying levels of nitrogen (N) doping were synthesized using a straightforward sol-gel approach. The morphology and microstructure of the N-doped ZnO NPs were examined through techniques such as SEM, XRD, photoluminescence, and Raman spectroscopy. The characterization revealed visible changes in the morphology and microstructure resulting from the incorporation of nitrogen into the ZnO lattice.
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December 2024
Department of Computer Science, National Yang Ming Chiao Tung University, ChiaoTung Campus, Hsinchu 300093, Taiwan.
With the fast-fashion trend, an increasing number of discarded clothing items are being eliminated at the stages of both pre-consumer and post-consumer each year. The linear economy produces large volumes of waste, which harm environmental sustainability. This study addresses the pressing need for efficient textile recycling in the circular economy (CE).
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January 2025
College of Food Science, Heilongjiang Bayi Agricultural University, Daqing 163319, China.
The feasibility of the two methodologies was confirmed to compare the results of determining mung bean origins using Raman and Near-Infrared (NIR) spectroscopy. Spectra from mung beans collected in Baicheng City, Jilin Province; Dorbod Mongol Autonomous, Tailai County, Heilongjiang Province; and Sishui County, Shandong Province, China, were analyzed. We established a traceability model using Principal Component Analysis combined with the K-nearest neighbor method to compare the efficacy of these methods in discriminating the origins of the mung beans.
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