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Surface enhanced Raman spectroscopy (SERS) holds great potential due to its rapid detection and high sensitivity. However, issues such as signal noise, fluctuations, and spectral shifts can negatively impact its performance in detecting ractopamine in pork. Hierarchical Gradient Aware Spectral Network (HGASNet) was proposed to address these issues. The key innovations are the Spectral Gradient Weighted Attention (SGWA) and Multi-Channel Peak Attention Mechanism (MCPAM) modules within HGASNet. The SGWA module dynamically adjusts feature weights, enhancing sensitivity to critical Raman spectral shifts. Meanwhile, MCPAM leverages multi-channel attention to better capture long range dependencies and fuse global and local information. Additionally, HGASNet's hierarchical structure incrementally extracts and integrates features at various levels, enabling the model to focus on global features in the higher layers while preserving fine-grained local details in the lower layers. Experimental results show HGASNet outperforming existing approaches, achieving R of 0.9972, RMSRE of 0.0413, RMSLE of 0.0548, sMAPE of 6.47 %, and MAPE of 6.72 %.
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http://dx.doi.org/10.1016/j.foodchem.2024.141884 | DOI Listing |
Small
September 2025
Jožef Stefan Institute, Jamova cesta 39, Ljubljana, SI-1000, Slovenia.
The demand for rapid, field-deployable detection of hazardous substances has intensified the search for plasmonic sensors with both high sensitivity and fabrication simplicity. Conventional approaches to plasmonic substrates, however, often rely on lithographic precision or complex chemistries limiting scalability and reproducibility. Here, a facile, one-step synthesis of vertically aligned 2D nanosheets composed of intergrown CuO/CuO crystallites is presented, fabricated via oxygen plasma discharge on copper substrates.
View Article and Find Full Text PDFJ Org Chem
September 2025
Department of Organic Chemistry, University of Chemical Technology and Metallurgy, 8 St. Kliment Ohridski blvd, Sofia 1756, Bulgaria.
Herein, a novel class of azo photoswitches based on a phthalimide with an azo bond to the imide ring is presented, exhibiting reversible isomerization under a broad range of visible light irradiation from 405 to 530 nm. Structural variations with heteroaryl or aryl segments attached to the 3-phthalylazo unit exhibit distinct spectral features, such as red-shifted absorption, well-separated absorption bands, and tunable stability of the metastable isomer, ranging from seconds to days. They differ drastically in the half-life of -isomer stability, ranging from several seconds (-methylpyrrole) to days (-methylimidazole).
View Article and Find Full Text PDFAm J Bot
September 2025
Research Unit Modeling Nature, Universidad de Granada, Granada.
Premise: Floral pigments primarily serve to attract pollinators through color display and also contribute to protection against environmental stress. Although pigment composition can be plastically altered under stress, its impact on pollinator color perception remains poorly understood. Moricandia arvensis (Brassicaceae) exhibits seasonal floral dimorphism, with lilac spring flowers and white summer flowers.
View Article and Find Full Text PDFChem Rev
September 2025
Center for Computational Life Sciences, Lerner Research Institute, The Cleveland Clinic, Cleveland, Ohio 44195, United States.
Computational methods have revolutionized NMR spectroscopy, driving significant advancements in structural biology and related fields. This review focuses on recent developments in quantum chemical and machine learning approaches for computational NMR, emphasizing their role in enhancing accuracy, efficiency, and scalability. QM methods provide precise predictions of NMR parameters, enabling detailed structural characterization of diverse systems.
View Article and Find Full Text PDFJ Mater Chem B
September 2025
Department of Chemistry, University of Waterloo, 200 University Ave. West, Waterloo, ON N2L 3G1, Canada.
Conjugated polymer nanoparticles (CPNs), especially poly(-phenylene ethynylene) nanoparticles (PPE-NPs), are promising candidates for bio-imaging due to their high photostability, adjustable optical characteristics, and biocompatibility. Despite their potential, the fluorescence mechanisms of these nanoparticles are not yet fully understood. In this work, we modeled a spherical PPE-NP in a water environment using 30 PPE dimer chains.
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