Characterization of Heroin and Its Additives by Attenuated Total Reflection (ATR) – Fourier Transform Infrared Spectroscopy (FTIR) and Multivariate Analysis

He, Xin; Wang, Jifen; Niu, Fan; Fan, Linyuan; Teng, Xuewei; Zhang, Chuyue; He, XinYu

doi:10.1080/00032719.2020.1751181

Cited by 6 publications

(7 citation statements)

References 17 publications

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“…Notably, the neural network model demonstrated positive sample identification and detection of low fentanyl concentrations in the 0.0-4.6% weight range, which was not achievable by the drug-check technician. He et al [114] also reported the combined use of attenuated total reflection (ATR) FTIR and a radial basis function neural network (RBFNN), multilayer perceptron neural network (MLPNN), and linear fitting analysis (LFA) for successful classification of mixtures of heroin and its additives (caffeine, phenacetin, sucrose, starch, and glucose) in various samples with a classification accuracy ranging between 66.67% for heroin hydrochloride and glucose mixtures and 100% for heroin hydrochloride and caffeine mixtures [114]. The samples contained 10-90% heroin chloride by mass, in which there were five characteristic absorption peaks of heroin chloride that were unaffected by the additives.…”

Section: Ftir Detection Methodsmentioning

confidence: 99%

“…The samples contained 10-90% heroin chloride by mass, in which there were five characteristic absorption peaks of heroin chloride that were unaffected by the additives. These characteristic peaks are at 1759, 1735, 1369, 1179, 1157, and 911 cm −1 [114]. A multivariate analysis was used for the accurate determination and classification of the different mixtures containing heroin hydrochloride.…”

Section: Ftir Detection Methodsmentioning

confidence: 99%

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Electrochemical Sensors, Biosensors, and Optical Sensors for the Detection of Opioids and Their Analogs: Pharmaceutical, Clinical, and Forensic Applications

Fakayode,

Brady,

Grant

et al. 2024

Chemosensors

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Pharmaceutical opioids are intravenously or orally administered analgesics. While they are effective in relieving chronic and acute pain, their narrow window of therapeutic use contributes to the high occurrence of abuse. The associated abuse of this family of drugs can be correlated to the increase in dependency, overdose, and death of users. The negative effects of opioids extend beyond the physical and psychological effects experienced by the user to their unregulated synthesis and sale, which contribute to socioeconomic challenges and are a biproduct of this global public health epidemic. From clinical to point-of-care applications, the detection and real-time monitoring of this family of drug is critical in the fight to decrease abuse and improve use in clinical settings. Chromatographic separations and chromatography–mass spectrometry are traditional methods of opioid analyses, but the high cost, long analysis time, and absence of portability highlight the need for the development of fast, in situ, point-of-care analysis, or of community drug monitoring services. This review highlights recent electrochemical and optical (FTIR, Raman, colorimetric, and fluorescent) advances and biosensors for pharmaceutical and illicit opioid analysis. Specifically, an emphasis is placed on the detection of opioids and their metabolites in biological samples and in vitro cellular assays for clinical diagnosis and forensic applications. The challenges and prospects of the role of electrochemical sensors, biosensors, and optical sensors for opioid analysis in promoting clinical diagnosis, forensic study, point-of-care, and community drug monitoring services to reduce harm are also provided.

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Section: Ftir Detection Methodsmentioning

confidence: 99%

Section: Ftir Detection Methodsmentioning

confidence: 99%

Electrochemical Sensors, Biosensors, and Optical Sensors for the Detection of Opioids and Their Analogs: Pharmaceutical, Clinical, and Forensic Applications

Fakayode,

Brady,

Grant

et al. 2024

Chemosensors

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“…In general, heroin samples are analyzed using gas or liquid chromatography paired with mass spectrometry (GC/LC–MS), possibly followed by other techniques for purity determination or quantification of certain adulterants [ 8 , 9 ]. From the techniques available at the majority of the drug checking services, infrared spectroscopy (IR) shows the highest potential, especially when it is used together with multivariate calibration techniques [ 12 , 13 , 19 , 20 , 21 , 22 , 23 ]. The combination of infrared spectroscopy, both mid- and near IR, and multivariate calibration was already applied in a plethora of fields, ranging from illegal medicines [ 24 ] and cosmetics [ 25 ], through e-liquids [ 26 , 27 ] and food analysis [ 28 , 29 , 30 ] to the analysis of illicit drug samples.…”

Section: Introductionmentioning

confidence: 99%

“…The applications using a combination of IR and multivariate calibration for the analysis of illicit drug samples were recently reviewed [ 19 ]. Unfortunately most of these applications focus on the identification and quantification of heroin [ 12 , 20 , 21 ], while the applications taking into account some diluents and adulterants only did so for standard mixtures or self-prepared samples [ 13 , 22 , 23 ].…”

Section: Introductionmentioning

confidence: 99%

Full Characterisation of Heroin Samples Using Infrared Spectroscopy and Multivariate Calibration

Deconinck,

Lievens,

Canfyn

et al. 2024

Molecules

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The analysis of heroin samples, before use in the protected environment of user centra, could be a supplementary service in the context of harm reduction. Infrared spectroscopy hyphenated with multivariate calibration could be a valuable asset in this context, and therefore 125 heroin samples were collected directly from users and analysed with classical chromatographic techniques. Further, Mid-Infrared spectra were collected for all samples, to be used in Partial Least Squares (PLS) modelling, in order to obtain qualitative and quantitative models based on real live samples. The approach showed that it was possible to identify and quantify heroin in the samples based on the collected spectral data and PLS modelling. These models were able to identify heroin correctly for 96% of the samples of the external test set with precision, specificity and sensitivity values of 100.0, 75.0 and 95.5%, respectively. For regression, a root mean squared error of prediction (RMSEP) of 0.04 was obtained, pointing at good predictive properties. Furthermore, during mass spectrometric screening, 10 different adulterants and impurities were encountered. Using the spectral data to model the presence of each of these resulted in performant models for seven of them. All models showed promising correct-classification rates (between 92 and 96%) and good values for sensitivity, specificity and precision. For codeine and morphine, the models were not satisfactory, probably due to the low concentration of these impurities as a consequence of acetylation. For methacetin, the approach failed.

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“…With the development of experimental conditions, numerous experimental approaches have been proposed to investigate the optical properties of liquids, such as the attenuated total reflection (ATR) method [16][17][18][19][20], the transmission method [21][22][23][24], the combined transmissionreflection method [25,26], and the ellipsometry method [27][28][29][30][31][32][33]. e ATR method is suitable for the measurement of absorption indices in strong absorption regions, whereas the transmission method is especially suitable for measuring the absorption indices of liquids in weak absorption regions.…”

Section: Introductionmentioning

confidence: 99%

Spectral Radiative Properties of a Liquid n-Octane Droplet in the Midinfrared Region

Zhao

Jing

et al. 2020

Journal of Spectroscopy

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The optical constants of a liquid hydrocarbon such as liquid n-octane are basic material properties that may be used to evaluate their thermal radiation transfer capabilities. In this study, the ellipsometry method was used to measure the optical constants of liquid n-octane in the midinfrared wavelength range of 2.0–16.0 μm at temperatures of 20, 50, and 80°C. Experimental analyses indicate the significant effect of temperature on the refractive index, although it has little effect on the absorption index. With increasing temperature, the refractive index shows a linear decrease, and reduced density leads to weaker absorption intensities. The radiative properties of n-octane droplets, including the absorption and scattering efficiency factors of single droplets with droplet radii r = 10, 20, 50, and 100 μm and the absorption and scattering coefficients in a droplets-air system of droplet volume fractions fv = 2%, 3%, and 4%, were calculated using Mie theory. The numerical results indicate that, with increasing temperature, the absorption efficiency factor slightly decreases, and the variation trend of the scattering efficiency factor is more complicated. With increasing droplet radius, the absorption efficiency factor increases within the studied wavelength range, except for certain absorption peaks, but the scattering efficiency factor tends to decrease. While the absorption is greater, the scattering is weaker for a given droplet radius. With an increasing volume fraction of n-octane droplets, the absorption and scattering coefficients increase linearly within the studied wavelength range.

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Characterization of Heroin and Its Additives by Attenuated Total Reflection (ATR) – Fourier Transform Infrared Spectroscopy (FTIR) and Multivariate Analysis

Cited by 6 publications

References 17 publications

Electrochemical Sensors, Biosensors, and Optical Sensors for the Detection of Opioids and Their Analogs: Pharmaceutical, Clinical, and Forensic Applications

Electrochemical Sensors, Biosensors, and Optical Sensors for the Detection of Opioids and Their Analogs: Pharmaceutical, Clinical, and Forensic Applications

Full Characterisation of Heroin Samples Using Infrared Spectroscopy and Multivariate Calibration

Spectral Radiative Properties of a Liquid n-Octane Droplet in the Midinfrared Region

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