Quantitative Analysis of Entacapone Isomers Using Surface-Enhanced Raman Spectroscopy and Partial Least Squares Regression

2012 ◽  
Vol 66 (12) ◽  
pp. 1468-1474 ◽  
Author(s):  
Marina Ratkaj ◽  
Tomislav Biljan ◽  
Snežana Miljanić
Keyword(s):  
Raman Spectroscopy ◽  
Quantitative Analysis ◽  
Least Squares ◽  
Partial Least Squares ◽  
Partial Least Squares Regression ◽  
Surface Enhanced Raman Spectroscopy ◽  
Least Squares Regression ◽  
Surface Enhanced ◽  
Surface Enhanced Raman

Quantitative analysis of mixed hydrofluoric and nitric acids using Raman spectroscopy with partial least squares regression

Talanta ◽  
2010 ◽  
Vol 81 (4-5) ◽  
pp. 1413-1417 ◽  
Author(s):  
Gumin Kang ◽  
Kwangchil Lee ◽  
Haesung Park ◽  
Jinho Lee ◽  
Youngjean Jung ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Quantitative Analysis ◽  
Least Squares ◽  
Partial Least Squares ◽  
Partial Least Squares Regression ◽  
Least Squares Regression

scholarly journals Quantitative Determination of Thiabendazole in Soil Extracts by Surface-Enhanced Raman Spectroscopy

Molecules ◽  
2018 ◽  
Vol 23 (8) ◽  
pp. 1949 ◽  
Author(s):  
Pengcheng Nie ◽  
Tao Dong ◽  
Shupei Xiao ◽  
Lei Lin ◽  
Yong He ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Least Squares ◽  
Partial Least Squares ◽  
Pesticide Residues ◽  
Surface Enhanced Raman Spectroscopy ◽  
Red Soil ◽  
Soil Extracts ◽  
Relative Standard ◽  
Surface Enhanced ◽  
Surface Enhanced Raman

Thiabendazole (TBZ) is widely used in sclerotium blight, downy mildew as well as root rot disease prevention and treatment in plant. The indiscriminate use of TBZ causes the excess pesticide residues in soil, which leads to soil hardening and environmental pollution. Therefore, it is important to accurately monitor whether the TBZ residue in soil exceeds the standard. For this study, density functional theory (DFT) was used to theoretically analyze the molecular structure of TBZ, gold nanoparticles (AuNPs) were used to enhance the detection signal of surface-enhanced Raman spectroscopy (SERS) and the TBZ residue in red soil extracts was quantitatively determined by SERS. As a result, the theoretical Raman peaks of TBZ calculated by DFT were basically consistent with the measured results. Moreover, 784, 1008, 1270, 1328, 1406 and 1576 cm−1 could be determined as the TBZ characteristic peaks in soil and the limits of detection (LOD) could reach 0.1 mg/L. Also, there was a good linear correlation between the intensity of Raman peaks and TBZ concentration in soil (784 cm−1: y = 672.26x + 5748.4, R2 = 0.9948; 1008 cm−1: y = 1155.4x + 8740.2, R2 = 0.9938) and the limit of quantification (LOQ) of these two linear models can reach 1 mg/L. The relative standard deviation (RSD) ranged from 1.36% to 8.02% and the recovery was ranging from 95.90% to 116.65%. In addition, the 300–1700 cm−1 SERS of TBZ were analyzed by the partial least squares (PLS) and backward interval partial least squares (biPLS). Also, the prediction accuracy of TBZ in soil (Rp2 = 0.9769, RMSEP = 0.556 mg/L, RPD = 5.97) was the highest when the original spectra were pretreated by standard normal variation (SNV) and then modeled by PLS. In summary, the TBZ in red soil extracts could be quantitatively determined by SERS based on AuNPs, which was beneficial to provide a new, rapid and accurate scheme for the detection of pesticide residues in soil.

Detection and classification of fentanyl and its precursors by surface-enhanced Raman spectroscopy

The Analyst ◽  
2020 ◽  
Vol 145 (9) ◽  
pp. 3440-3446 ◽  
Author(s):  
Rustin Mirsafavi ◽  
Martin Moskovits ◽  
Carl Meinhart
Keyword(s):  
Raman Spectroscopy ◽  
Discriminant Analysis ◽  
Least Squares ◽  
Partial Least Squares ◽  
Surface Enhanced Raman Spectroscopy ◽  
Analytical Technique ◽  
Surface Enhanced ◽  
Surface Enhanced Raman

An analytical technique combining partial least squares-discriminant analysis, surface-enhanced Raman spectroscopy (SERS), and microfluidics for the detection and classification of fentanyl and its chemical precursors.

Multivariate Analysis Aided Surface-Enhanced Raman Spectroscopy (MVA-SERS) Multiplex Quantitative Detection of Trace Fentanyl in Illicit Drug Mixtures Using a Handheld Raman Spectrometer

2021 ◽  
pp. 000370282110329
Author(s):  
Ling Wang ◽  
Mario O. Vendrell-Dones ◽  
Chiara Deriu ◽  
Sevde Doğruer ◽  
Peter de B. Harrington ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Principal Component ◽  
Surface Enhanced Raman Spectroscopy ◽  
Quantitative Detection ◽  
Least Squares Regression ◽  
Surface Enhanced ◽  
Surface Enhanced Raman ◽  
Sers Detection ◽  
Current Screening

Recently there has been upsurge in reports that illicit seizures of cocaine and heroin have been adulterated with fentanyl. Surface-enhanced Raman spectroscopy (SERS) provides a useful alternative to current screening procedures that permits detection of trace levels of fentanyl in mixtures. Samples are solubilized and allowed to interact with aggregated colloidal nanostars to produce a rapid and sensitive assay. In this study, we present the quantitative determination of fentanyl in heroin and cocaine using SERS, using a point-and-shoot handheld Raman system. Our protocol is optimized to detect pure fentanyl down to 0.20 ± 0.06 ng/mL and can also distinguish pure cocaine and heroin at ng/mL levels. Multiplex analysis of mixtures is enabled by combining SERS detection with principal component analysis and super partial least squares regression discriminate analysis (SPLS-DA), which allow for the determination of fentanyl as low as 0.05% in simulated seized heroin and 0.10% in simulated seized cocaine samples.

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