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Analysis of Xenobiotics and Their Residues in Food, Biological and...
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Analysis of Xenobiotics and Their Residues in Food, Biological and Environmental Samples by Chromatographic Techniques Coupled with Modern Detection Techniques (DAD, FLD, MS, MS/MS and Others) – Part 2

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Analytical Chemistry".

Deadline for manuscript submissions: closed (31 December 2022) | Viewed by 9259

Special Issue Editor

Prof. Dr. Tomasz Tuzimski

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Guest Editor
Chair of Chemistry, Department of Physical Chemistry, Faculty of Pharmacy, Medical University of Lublin (MUL), 4A Chodźki Street, PL-20093 Lublin, Poland
Interests: theory and application of liquid chromatography; modern extraction techniques (e.g., QuEChERS); detection techniques (DAD, FLD, MS, MS/MS); method development and validation; optimization of chromatographic systems for separation and quantitative analysis of xenobiotics and others (multicomponent mixtures) in food, environmental, and biological samples
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The challenge for the analyst is to develop effective and validated analytical strategies for the analysis of hundreds of different xenobiotics on hundreds of different sample types, quickly, accurately, and at acceptable cost. The most efficient approach to xenobiotic analysis involves the use of modern chromatographic methods. The following chromatographic methods are most frequently applied in environmental/biological samples and food analysis: high-performance liquid chromatography (HPLC), ultrahigh-performance liquid chromatography (UPLC), gas chromatography (GC), and multidimensional chromatographic techniques (GC x GC, LC x LC and others).

Xenobiotics can exert adverse effects on human health and increase the incidence of chronic diseases, including cancer, Parkinson’s, Alzheimer’s, multiple sclerosis, diabetes, cardiovascular, chronic kidney disease, and others. As a consequence, the development and validation of analytical methods for xenobiotics has become essential.

The choice of an appropriate extraction and analytical method for separation and final determination is closely related to the properties of the target compounds and matrices.

Common steps of sample treatment in most of the analytical methods reported for mixtures of xenobiotics and derivatives include sample pretreatment, extraction of analytes from the matrix, clean-up of the extracts to remove interferences, and concentration to achieve the desired sensitivity. Incontestable progress has been made during the past few years regarding the development of techniques for the preparation of samples for analysis, such as QuEChERS (quick, easy, cheap, effective, rugged, and safe), solid phase extraction (SPE), solid phase microextraction (SPME), stir bar sorptive extraction (SBSE), hallow-fiber liquid phase microextraction (HFLPME), dispersive liquid–liquid microextraction (DLLME) or focused ultrasonic solid–liquid extraction (FUSLE), and others.

I warmly invite our colleagues to submit their original contributions to this Special Issue in order to provide updates regarding chromatographic methods for xenobiotic analysis of food, biological and environmental samples that will be of interest to our readers.

I would be delighted if you could respond and upload papers by 31 December 2022 (deadline). I warmly invite colleagues to submit their original contributions to this Special Issue, which will be of interest to a wide range of our readers!

Prof. Dr. Tomasz Tuzimski
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • Xenobiotics (bisphenols, drugs and veterinary drugs, vitamins, dyes, mycotoxins, environmental bioindicators, allergens, pesticides, and others)
  • Extraction techniques (QuEChERS/d-SPE, SPE, SPME, SBSE, HFLPME, DLLME, FUSLE, and others)
  • Chromatographic methods (HPLC, UPLC, GC, GC x GC, and others)
  • Detection techniques (DAD, FLD, MS, MS/MS, and others)
  • Analytes (basic, acidic, neutral, ionic, nonionic and others)
  • Modern analytical methods

Published Papers (4 papers)

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Research

12 pages, 2288 KiB  
Article
A Fast Method for Determination of Seven Bisphenols in Human Breast Milk Samples with the Use of HPLC-FLD
by Szymon Szubartowski and Tomasz Tuzimski
Molecules 2023, 28(3), 1432; https://doi.org/10.3390/molecules28031432 - 2 Feb 2023
Cited by 5 | Viewed by 1918
Abstract
Plastic pollution, where bisphenol A (BPA) is widely used in its production, has gained popularity. BPA omnipresence and toxicity, especially for infants, has led food safety authorities to place restrictions on BPA usage. It has led to the introduction of the marked ‘BPA-free’-labelled [...] Read more.
Plastic pollution, where bisphenol A (BPA) is widely used in its production, has gained popularity. BPA omnipresence and toxicity, especially for infants, has led food safety authorities to place restrictions on BPA usage. It has led to the introduction of the marked ‘BPA-free’-labelled products, where BPA is often replaced by other bisphenols (BPs) which are suspected of being similar or even more toxic than BPA. Moreover, the free forms of BPs are more dangerous than their conjugated forms and the conjugation of BPs is less effective in infants than in adults. Considering that human breast milk is the main source of nutrition for infants, the constant biomonitoring not only of BPA, but the wider group of BPs in such crucial matrices seems to be vital. In this study, a fast, simple, ‘green’ and cost-effective DLLME-based extraction technique combined with HPLC-FLD was optimized for the determination of seven selected bisphenols simultaneously. The procedure has satisfactory recovery values of 67–110% with the most RSD% at 17%. The LODs and LOQs ranged from 0.5 ng/mL to 2.1 ng/mL and 1.4 ng/mL to 6.3 ng/mL, respectively. The procedure was successfully applied to the biomonitoring of free forms of BPs in 10 real human breast milk samples. Full article
(This article belongs to the Special Issue Analysis of Xenobiotics and Their Residues in Food, Biological and Environmental Samples by Chromatographic Techniques Coupled with Modern Detection Techniques (DAD, FLD, MS, MS/MS and Others) – Part 2)
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10 pages, 1547 KiB  
Article
Identification of the New Metabolite of Nebivolol Using Liquid Chromatography Coupled with High-Resolution Mass Spectrometry and Chemometrics
by Jakub Trawiński, Michał Wroński, Maciej Gawlik and Robert Skibiński
Molecules 2022, 27(3), 763; https://doi.org/10.3390/molecules27030763 - 24 Jan 2022
Cited by 2 | Viewed by 2348
Abstract
In this study, the phase I hepatic metabolism pathway of a cardiovascular drug nebivolol was proposed on the basis of a human liver microsomes assay with the use of LC-HR-MS coupled with the chemometric method. Six biotransformation products were found with the assistance [...] Read more.
In this study, the phase I hepatic metabolism pathway of a cardiovascular drug nebivolol was proposed on the basis of a human liver microsomes assay with the use of LC-HR-MS coupled with the chemometric method. Six biotransformation products were found with the assistance of chemometric analysis. Five of them were identified as the previously reported products of alicyclic hydroxylation and dihydroxylation, aromatic hydroxylation, as well as alicyclic oxidation of the parent compound. Moreover, one metabolite, not reported so far, was found to be a product of N-dealkylation of nebivolol—2-amino-1-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)ethan-1-ol. The novel metabolite was submitted to an in silico toxicity analysis to assess its biological properties. The applied computational methods indicated a significantly elevated risk of its mutagenic activity, compared to the parent molecule. Several metabolites of the nebivolol described in the literature were not detected in this study, indicating their non-hepatic origin. Full article
(This article belongs to the Special Issue Analysis of Xenobiotics and Their Residues in Food, Biological and Environmental Samples by Chromatographic Techniques Coupled with Modern Detection Techniques (DAD, FLD, MS, MS/MS and Others) – Part 2)
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10 pages, 1273 KiB  
Article
Tissue Distribution Study of Poloxamer188 in Rats by Ultra-High-Performance Liquid Chromatography Quadrupole Time of Flight/Mass Spectrometry with MSALL-Based Approach
by Yixuan Feng, Lele Li, Yuxuan Li, Xinxin Zhou, Xiaoying Lin, Yue Cui, Heyun Zhu and Bo Feng
Molecules 2021, 26(18), 5644; https://doi.org/10.3390/molecules26185644 - 17 Sep 2021
Cited by 2 | Viewed by 1814
Abstract
Poloxamer188 (PL188), as one of the most commonly used pharmaceutical excipients, has unique physicochemical properties and good biocompatibility, and so is playing an increasingly extensive role in the field of medicine. Currently, there are few studies on the tissue distribution of PL188 in [...] Read more.
Poloxamer188 (PL188), as one of the most commonly used pharmaceutical excipients, has unique physicochemical properties and good biocompatibility, and so is playing an increasingly extensive role in the field of medicine. Currently, there are few studies on the tissue distribution of PL188 in vivo. In this study, the LC-MS method based on MSALL technique of quadrupole time of flight mass spectrometry for absolute quantitative analysis of poloxamer 188 in biological substrates was established for the first time. The tissue distribution of poloxamer188 in SD rats were studied using the established quantitative analysis method. To explore the distribution of PL188 in organs and tissues, PL188 was administered via rat tail vein at a dose of 5 mg/kg. Eight kinds of tissues including heart, liver, spleen, lung, kidney, stomach, muscle and brain of rats were collected at 0.25 h, 1 h and 4 h after administration. Tissue distributions showed the highest level was observed in kidney, then in stomach, which indicated PL188 mainly bioaccumulated in the kidney. This study can provide references for the further study of PL188. Full article
(This article belongs to the Special Issue Analysis of Xenobiotics and Their Residues in Food, Biological and Environmental Samples by Chromatographic Techniques Coupled with Modern Detection Techniques (DAD, FLD, MS, MS/MS and Others) – Part 2)
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11 pages, 1798 KiB  
Article
Characterization of Phase I Hepatic Metabolites of Anti-Premature Ejaculation Drug Dapoxetine by UHPLC-ESI-Q-TOF
by Robert Skibiński, Jakub Trawiński and Maciej Gawlik
Molecules 2021, 26(13), 3794; https://doi.org/10.3390/molecules26133794 - 22 Jun 2021
Cited by 1 | Viewed by 2213
Abstract
Determination of the metabolism pathway of xenobiotics undergoing the hepatic pass is a crucial aspect in drug development since the presence of toxic biotransformation products may result in significant side effects during the therapy. In this study, the complete hepatic metabolism pathway of [...] Read more.
Determination of the metabolism pathway of xenobiotics undergoing the hepatic pass is a crucial aspect in drug development since the presence of toxic biotransformation products may result in significant side effects during the therapy. In this study, the complete hepatic metabolism pathway of dapoxetine established according to the human liver microsome assay with the use of a high-resolution LC–MS system was described. Eleven biotransformation products of dapoxetine, including eight metabolites not reported in the literature so far, were detected and identified. N-dealkylation, hydroxylation, N-oxidation and dearylation were found to be the main metabolic reactions for the investigated xenobiotic. In silico analysis of toxicity revealed that the reaction of didesmethylation may contribute to the increased carcinogenic potential of dapoxetine metabolites. On the other hand, N-oxidation and aromatic hydroxylation biotransformation reactions possibly lead to the formation of mutagenic compounds. Full article
(This article belongs to the Special Issue Analysis of Xenobiotics and Their Residues in Food, Biological and Environmental Samples by Chromatographic Techniques Coupled with Modern Detection Techniques (DAD, FLD, MS, MS/MS and Others) – Part 2)
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