An overview on optoelectronic methods for detection of

An overview on optoelectronic methods for detection of xenobiotics in human fluid samples 1

Outline 1. 2. 3. 4. 5. Introduction Gas chromatography mass spectrometry Liquid chromatography with tandem mass spectrometry Graphite furnace atomic absorption spectroscopy Conclusions 2

1. Introduction • Drugs/xenobiotic detection is essential for establishing a proper diagnosis and prescribing an effective treatment; • Among the most discriminatory in substance detection are optoelectronic methods, such as mass spectrometry or infrared spectrometry → analysis of the mass or absorption spectra of the sample, which provides information regarding the nature of the xenobiotic it contains [1, 2]; • Most high-precision investigation methods are a combination of two main techniques: gas/liquid chromatography and mass spectrometry. 3

1. Introduction Fig. 1: Basic structure of a liquid-gas chromatograph 4

1. Introduction Fig. 2: Basic structure of a mass spectrometer 5

2. Gas chromatography mass spectrometry (GC-MS) Fig. 3: Basic structure of a GC/MS system 6

2. Gas chromatography mass spectrometry (GC-MS) Fig. 4: Molecular structure of several substances detected in human bodily fluid samples, using GC-MS [3 -5] 7

2. Gas chromatography mass spectrometry (GC-MS) Fig. 5: Experimental results obtained following the analysis of blood and urine samples with a GCMS Varian system [3 -5] 8

3. Liquid chromatography with tandem mass spectrometry (LC-MS/MS) Fig. 6: Basic structure of a LC-MS/MS system [6] Fig. : Molecular structure of several subtances detected in human bodily uid samples, using LC-MS/MS[7 -10] 9

3. Liquid chromatography with tandem mass spectrometry (LC-MS/MS) Fig. 5: Experimental results obtained following the analysis of blood and urine samples with an Agilent 1200 SL/6410 LC-MS/MS with triple quadrupole [7, 9, 10] 10

3. Liquid chromatography with tandem mass spectrometry (LC-MS/MS) Fig. 5: Experimental results obtained following the analysis of blood and urine samples with an Agilent 1200 SL/6410 LC-MS/MS with triple quadrupole, indicating the presence of trace amounts of meldonium [8] 11

4. Graphite furnace atomic absorption spectroscopy (GFAAS) Minimal sample preparation, however prior acidification is required, usually in nitric acid (HNO 3); Sample vaporization steps (5 minutes): Fig. : Basic structure of a atomic absorption spectroscope with a graphite furnace 1. Drying: the low temperature process of removing water from the sample without sputtering; 2. Ashing: the pyrolitic technique through which impurities are removed from the sample, at 400 - 800 C; 3. Atomization: the step reached at 3000 C, where the atomic vapor is formed. At this stage, the vapor is illuminated, and the light absorbance as a function of time is registered; 4. Cleaning: the atomic vapor is removed from the chamber by a flow of inert gas. 12

5. Conclusions Three highly accurate optoelectronic methods for xenobiotic detection in human bodily fluid samples are reviewed: • Gas chromatography mass spectrometry (GC-MS): • Suitable for small molecular weight compound detection; • Average GC-MS cycle duration: 10 -15 min; • Low sample size required (15 μl). • Liquid chromatography with tandem mass spectrometry (LC-MS/MS): • Suitable for high molecular weight compound detection; • Average LC-MS/MS cycle duration: 10 -15 minutes; • Required sample size: at least 10 ml. • Graphite furnace atomic absorption spectroscopy (GFAAS): • Suitable for noble metal detection [11 -13]; • Average GFAAS cycle duration: 5 minutes; • Low sample size required (0. 05 μl). 13

Acknowledgement This work was supported by a grant of the Romanian Education and Research Ministry, CCCDI UEFISCDI, project number PN-III-P 1 -1. 2 -PCCDI-2017 -0560 Eco-nanotechnologies and intelligent equipment for soil properties mapping and evaluating the dynamics of the plant in order to improve agricultural production and environmental protection, within PNCDI III. 14

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