scholarly journals Detection of Pirimiphos-Methyl in Wheat Using Surface-Enhanced Raman Spectroscopy and Chemometric Methods

Molecules ◽  
2019 ◽  
Vol 24 (9) ◽  
pp. 1691 ◽  
Author(s):  
Shizhuang Weng ◽  
Shuan Yu ◽  
Ronglu Dong ◽  
Jinling Zhao ◽  
Dong Liang

Pesticide residue detection is a hot issue in the quality and safety of agricultural grains. A novel method for accurate detection of pirimiphos-methyl residues in wheat was developed using surface-enhanced Raman spectroscopy (SERS) and chemometric methods. A simple pretreatment method was conducted to extract pirimiphos-methyl residue from wheat samples, and highly effective gold nanorods were prepared for SERS measurement. Raman peaks assignment was calculated using density functional theory. The Raman signal of pirimiphos-methyl can be detected when the concentrations of residue in wheat extraction solution and contaminated wheat is as low as 0.2 mg/L and 0.25 mg/L, respectively. Quantification of pirimiphos-methyl was performed by applying regression models developed by partial least squares regression, support vector machine regression and random forest with principal component analysis using different preprocessed methods. As for the contaminated wheat samples, the relative deviation between gas chromatography-mass spectrometry value and predicted value is in the range of 0.10%–6.63%, and predicted recovery is 94.12%–106.63%, ranging from 23.93 mg/L to 0.25 mg/L. Results demonstrated that the proposed SERS method is an effective and efficient analytical tool for detecting pirimiphos-methyl in wheat with high accuracy and excellent sensitivity.

Sensors ◽  
2019 ◽  
Vol 19 (3) ◽  
pp. 506 ◽  
Author(s):  
Shizhuang Weng ◽  
Wenxiu Zhu ◽  
Ronglu Dong ◽  
Ling Zheng ◽  
Fang Wang

Pesticide residue in paddy water is one of the main factors affecting the quality and safety of rice, however, the negative effect of this residue can be effectively prevented and reduced through early detection. This study developed a rapid detection method for fonofos, phosmet, and sulfoxaflor in paddy water through chemometric methods and surface-enhanced Raman spectroscopy (SERS). Residue from paddy water samples was directly used for SERS measurement. The obtained spectra from the SERS can detect 0.5 mg/L fonofos, 0.25 mg/L phosmet, and 1 mg/L sulfoxaflor through the appearance of major characteristic peaks. Then, we used chemometric methods to develop models for the intelligent analysis of pesticides, alongside the SERS spectra. The classification models developed by K-nearest neighbor identified all of the samples, with an accuracy of 100%. For the quantitative analysis, the partial least squares regression models obtained the best predicted performance for fonofos and sulfoxaflor, and the support vector machine model provided optimal results, with a root-mean-square error of validation of 0.207 and a coefficient of determination of validation of 0.99952, for phosmet. Experiments for actual contaminated samples also showed that the above models predicted the pesticide residue values with high accuracy. Overall, using SERS with chemometric methods provided a simple and convenient approach for the detection of pesticide residues in paddy water.


2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Simon D. Dryden ◽  
Salzitsa Anastasova ◽  
Giovanni Satta ◽  
Alex J. Thompson ◽  
Daniel R. Leff ◽  
...  

AbstractUrinary tract infection is one of the most common bacterial infections leading to increased morbidity, mortality and societal costs. Current diagnostics exacerbate this problem due to an inability to provide timely pathogen identification. Surface enhanced Raman spectroscopy (SERS) has the potential to overcome these issues by providing immediate bacterial classification. To date, achieving accurate classification has required technically complicated processes to capture pathogens, which has precluded the integration of SERS into rapid diagnostics. This work demonstrates that gold-coated membrane filters capture and aggregate bacteria, separating them from urine, while also providing Raman signal enhancement. An optimal gold coating thickness of 50 nm was demonstrated, and the diagnostic performance of the SERS-active filters was assessed using phantom urine infection samples at clinically relevant concentrations (105 CFU/ml). Infected and uninfected (control) samples were identified with an accuracy of 91.1%. Amongst infected samples only, classification of three bacteria (Escherichia coli, Enterococcus faecalis, Klebsiella pneumoniae) was achieved at a rate of 91.6%.


Author(s):  
Arpan Dutta ◽  
Tarmo Nuutinen ◽  
Khairul Alam ◽  
Antti Matikainen ◽  
Peng Li ◽  
...  

Abstract Plasmonic nanostructures are widely utilized in surface-enhanced Raman spectroscopy (SERS) from ultraviolet to near-infrared applications. Periodic nanoplasmonic systems such as plasmonic gratings are of great interest as SERS-active substrates due to their strong polarization dependence and ease of fabrication. In this work, we modelled a silver grating that manifests a subradiant plasmonic resonance as a dip in its reflectivity with significant near-field enhancement only for transverse-magnetic (TM) polarization of light. We investigated the role of its fill factor, commonly defined as a ratio between the width of the grating groove and the grating period, on the SERS enhancement. We designed multiple gratings having different fill factors using finite-difference time-domain (FDTD) simulations to incorporate different degrees of spectral detunings in their reflection dips from our Raman excitation (488 nm). Our numerical studies suggested that by tuning the spectral position of the optical resonance of the grating, via modifying their fill factor, we could optimize the achievable SERS enhancement. Moreover, by changing the polarization of the excitation light from transverse-magnetic to transverse-electric, we can disable the optical resonance of the gratings resulting in negligible SERS performance. To verify this, we fabricated and optically characterized the modelled gratings and ensured the presence of the desired detunings in their optical responses. Our Raman analysis on riboflavin confirmed that the higher overlap between the grating resonance and the intended Raman excitation yields stronger Raman enhancement only for TM polarized light. Our findings provide insight on the development of fabrication-friendly plasmonic gratings for optimal intensification of the Raman signal with an extra degree of control through the polarization of the excitation light. This feature enables studying Raman signal of exactly the same molecules with and without electromagnetic SERS enhancements, just by changing the polarization of the excitation, and thereby permits detailed studies on the selection rules and the chemical enhancements possibly involved in SERS.


Elements ◽  
2020 ◽  
Vol 16 (2) ◽  
pp. 117-122 ◽  
Author(s):  
Olivier Beyssac

This article reviews nonconventional Raman spectroscopy techniques and discusses present and future applications of these techniques in the Earth and planetary sciences. Time-resolved spectroscopy opens new ways to limit or exploit luminescence effects, whereas techniques based on coherent anti-Stokes Raman scattering (CARS) or surface-enhanced Raman spectroscopy (SERS) allow the Raman signal to be considerably enhanced even down to very high spatial resolutions. In addition, compact portable Raman spectrometers are now routinely used out of the laboratory and are even integrated to two rovers going to Mars in the near future.


1992 ◽  
Vol 46 (1) ◽  
pp. 147-151 ◽  
Author(s):  
Neil J. Pothier ◽  
R. Ken Forcé

An analytical application for Surface-Enhanced Raman Spectroscopy at a silver electrode is described. Real-time SER spectra of adenine and cytosine have been recorded in a 10-µL spectroelectrochemical flow cell under flowing conditions. Charge-coupled-device detection allowed high-quality spectra spanning a ∼1200 cm−1 region to be recorded with integration times of 4 seconds. A low-power He Ne laser was used as a source. SERS at the silver electrode offers rapid time response to adsorption/desorption by appropriate potential modulation. The technique is extremely reproducible and insensitive to temperature and flow rate. The effects of incident photon energy and applied potential on the intensity of the Raman signal are discussed.


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