A green, fast and effective multivariate method for the determination of atrazine (ATZ) was developed using conventional infrared equipment furnished with an attenuated total reflectance module (ATR-IR), providing limit of detection (LOD) and limit of quantification (LOQ) in the ranges from 1.9 to 4.6 µg/mL and from 5.6 to 14 µg/mL, respectively. Furthermore, the surface-enhanced infrared absorption (SEIRA) approach was investigated to improve the sensitivity of the measurements and detect ATZ at low concentrations, addressing the compatibility with reference methods. To this end, a substrate formed by silver selenide quantum dots stabilized with mercaptopropionic acid (AgSe/MPA), synthesized in aqueous medium by an one-pot synthesis, was used. The spectral data were investigated by univariate and multivariate calibrations, allowing to calculate the enhancement factor (EF) and the multivariate enhancement factor (MEF), respectively. The SEIRA strategy proved to be able to enhance the atrazine signal up to 86-fold, allowing the detection of ATZ at concentrations as low as 0.001 µg/mL.
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http://dx.doi.org/10.1016/j.saa.2024.124867 | DOI Listing |
Nanophotonics
January 2025
Institute of Physics, Swiss Federal Institute of Technology Lausanne (EPFL), CH-1015 Lausanne, Switzerland.
Sum-frequency generation (SFG) enables the coherent upconversion of electromagnetic signals and plays a significant role in mid-infrared vibrational spectroscopy for molecular analysis. Recent research indicates that plasmonic nanocavities, which confine light to extremely small volumes, can facilitate the detection of vibrational SFG signals from individual molecules by leveraging surface-enhanced Raman scattering combined with mid-infrared laser excitation. In this article, we compute the degree of second order coherence ( (0)) of the upconverted mid-infrared field under realistic parameters and accounting for the anharmonic potential that characterizes vibrational modes of individual molecules.
View Article and Find Full Text PDFAnalyst
January 2025
Department of Chemistry, University of Victoria, Victoria, British Columbia, V8W 3V6, Canada.
Infrared absorption spectroscopy and surface-enhanced Raman spectroscopy were integrated into three data fusion strategies-hybrid (concatenated spectra), mid-level (extracted features from both datasets) and high-level (fusion of predictions from both models)-to enhance the predictive accuracy for xylazine detection in illicit opioid samples. Three chemometric approaches-random forest, support vector machine, and -nearest neighbor algorithms-were employed and optimized using a 5-fold cross-validation grid search for all fusion strategies. Validation results identified the random forest classifier as the optimal model for all fusion strategies, achieving high sensitivity (88% for hybrid, 92% for mid-level, and 96% for high-level) and specificity (88% for hybrid, mid-level, and high-level).
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Sixth People's Hospital, School of Medicine & School of Biomedical Engineering, Shanghai Jiao Tong University, Shanghai 200030, P. R. China.
The use of dual-tracer contrast agents in clinical applications, such as sentinel lymph node (SLN) identification, offers significant advantages including enhanced accuracy, sensitivity, as well as comprehensive and multimodal visualization. In the current clinical practice, SLNs are typically marked prior to surgical resection by multiple and sequential injections of two tracers, the radioactive tracer and methylene blue (MB) dye. This imposes physical and psychological burden on patients and medical staff.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
January 2025
University of Electronic Science and Technology of China, State Key Laboratory of Electronic Thin Films and Integrated Devices, No. 2006, Xiyuan Avenue, High-tech Zone (West Area), 610054, Chengdu, CHINA.
Bismuth oxide (Bi2O3) emerges as a potent catalyst for converting CO2 to formic acid (HCOOH), leveraging its abundant lattice oxygen and the high activity of its Bi-O bonds. Yet, its durability is usually impeded by the loss of lattice oxygen causing structure alteration and destabilized active bonds. Herein, we report an innovative approach via the interstitial incorporation of indium (In) into the Bi2O3, significantly enhancing bond stability and preserving lattice oxygen.
View Article and Find Full Text PDFAnal Chem
January 2025
Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Collaborative Innovation Center of Chemistry for Energy Materials, Department of Chemistry, Fudan University, Shanghai 200438, China.
To address the pressing demand for hyphenated characterization of the electrode-electrolyte interfaces at the molecular level, we report herein a technical note to demonstrate the hyphenation of electrochemical surface-enhanced infrared absorption spectroscopy (SEIRAS) and shell-isolated nanoparticle enhanced Raman spectroscopy (SHINERS). The core setup incorporates a top-down configured Raman optic fiber head loaded on a 3-dimension positioning module and a bottom-up configured attenuated total reflection infrared spectroscopy (ATR-IR) spectroelectrochemical cell accommodated in a custom-designed optical accessory. The feasibility of this integrated design is initially validated by the simultaneous measurement of two model systems, namely, potential dependent adsorption of pyridine on a Au film electrode and the CO reduction reaction on a Cu film electrode by SEIRAS and SHINERS, yielding distinct and complementary spectral information.
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