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Modern Trends and Solutions in Analytical Chemistry in Poland

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

Deadline for manuscript submissions: 31 December 2025 | Viewed by 2613

Special Issue Editor


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Guest Editor
Department of Physical Chemistry, Medical University of Lublin, Chodźki 4a, 20-093 Lublin, Poland
Interests: liquid chromatography with modern detection techniques; sample preparation; analysis of xenobiotics in various biological samples; analysis of ionic compounds in plant extracts; biological activity of plant extracts
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Special Issue Information

Dear Colleagues,

I warmly invite you to submit your original contributions to this Special Issue, especially scientists for whom analytical chemistry is a specialty that constitutes one of the basic tools used in their professional work. I also cordially invite Polish scientists working outside their homeland.

This Special Issue of Molecules welcomes manuscripts describing original work, as well as review articles.

In contemporary society, analytical chemistry, as a scientific discipline, and its practical application, often termed “analysis”, has many important aims, and its role is becoming increasingly important. The key challenge for analysts is to develop effective and validated analytical strategies for the analysis of various compounds that are the subject of our research and interest, in different types of sample, quickly, accurately, and at an acceptable cost. The most efficient approach to this involves the use of modern chromatographic methods.

This Special Issue presents, in a properly structured manner, up-to-date, state-of-the-art information on the very important solutions and new trends in analytical chemistry.

High-performance liquid chromatography (HPLC), ultra-high-performance liquid chromatography (UPLC), gas chromatography (GC), two-dimensional chromatographic techniques (GC x GC, LC x LC), and other separation techniques coupled with modern detection techniques such as mass spectrometry (MS), tandem mass spectrometry (MS/MS), fluorescence detection (FLD), and diode-array detection (DAD) are most frequently applied in bio-analytics, proteomics, metabolomics, lipidomics, food analysis, the analysis of natural products, and xenobiotics analysis in environmental, biological and food samples, amongst others. Chromatographic methods and related techniques are also applied in other various specialties, fields, and disciplines of science, e.g., oceanography, forensics, or confirming the authenticity of works of art and studies of their forgeries.

Prof. Dr. Tomasz Tuzimski
Guest Editor

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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.

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Keywords

  • analytical and physical chemistry
  • separation sciences
  • chromatographic methods and related techniques (HPLC, SPE, SFC, GC, CZE, UPLC, GC × GC, and others)
  • sample preparation and extraction techniques (SPE, QuEChERS/d-SPE, SPME, SBSE, HFLPME, DLLME, FUSLE, and others)
  • detection techniques (DAD, FLD, MS, MS/MS, and others)
  • spectrometry
  • bioanalytics
  • proteomics, metabolomics, and lipidomics
  • nanotechnology
  • environmental sciences
  • natural product chemistry (isolation, identification and quantification of bioactive compounds, and in vitro and then in vivo investigations on their biological activity)
  • food analysis and food safety
  • xenobiotics analysis in environmental, biological, and food samples
  • chemometrics and statistical analysis

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Published Papers (4 papers)

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Research

17 pages, 2333 KB  
Article
Electrochemical Simulation of 25B-NBOMe Phase I Metabolism and Metabolite Profiling by HPLC-QTOF-MS
by Agata Kot-Wasik, Agnieszka Potęga, Justyna Aszyk-Woźniak, Dorota Garwolińska, Marek Wiergowski and Andrzej Wasik
Molecules 2025, 30(22), 4450; https://doi.org/10.3390/molecules30224450 - 18 Nov 2025
Viewed by 321
Abstract
This is the first report on the electrochemical simulation of phase I metabolism of 2-(4-bromo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine (25B-NBOMe), a relatively new psychoactive substance available on the illicit drug market. The electrochemical approach enables fast generation and characterization of potential in vivo metabolites, and thus, can [...] Read more.
This is the first report on the electrochemical simulation of phase I metabolism of 2-(4-bromo-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine (25B-NBOMe), a relatively new psychoactive substance available on the illicit drug market. The electrochemical approach enables fast generation and characterization of potential in vivo metabolites, and thus, can assist in the preliminary assessment of xenobiotic activity and toxicity profiles in humans. Phase I oxidation reactions of 25B-NBOMe were simulated in a three-electrode thin-layer electrochemical flow cell. Electrochemically generated products were directly analyzed by high-resolution mass spectrometry. To verify relevance to human metabolism, they were compared with those detected in biological samples taken from individuals severely intoxicated with 25B-NBOMe. The electrochemical conversion of 25B-NBOMe yielded key phase I metabolites—hydroxylated and N-desalkylated—along with their corresponding dehydrogenated products. O-Desmethylated and bis-O,O-desmethylated drug derivatives were also formed electrochemically, though in lower amounts. The former was confirmed in gastric contents, blood, and urine samples. Furthermore, phase II metabolites, such as O-desmethyl-25B-NBOMe glucuronide and sulfonate, were detected exclusively in some biological specimens, highlighting the complementary role of in vivo analysis. Our findings demonstrate that the electrochemical method provides a promising platform for the rapid and straightforward evaluation of 25B-NBOMe phase I metabolism. The partial overlap with authentic human metabolites supports its relevance as a screening and hypothesis-generating tool. The electrochemical approach, although not fully consistent with data from biological samples, can complement conventional in vitro and in vivo models, aiding in the identification of potential biomarkers and the evaluation of toxicological risk associated with novel psychoactive substances. Full article
(This article belongs to the Special Issue Modern Trends and Solutions in Analytical Chemistry in Poland)
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18 pages, 1064 KB  
Article
Phenolic Profile and Antioxidant Activity of Fractions of Procyanidin-Rich Hawthorn (Crataegus monogyna Jacq.) Bark Extract Separated by Low-Pressure Liquid Chromatography
by Magdalena Karamać, Michał A. Janiak, Katarzyna Sulewska and Ryszard Amarowicz
Molecules 2025, 30(22), 4375; https://doi.org/10.3390/molecules30224375 - 12 Nov 2025
Viewed by 298
Abstract
Plant materials rich in proanthocyanidins are fractionated to determine the structure of these compounds and relate it to bioactivity. The aim of this study was to fractionate a procyanidin-rich hawthorn bark extract using low-pressure liquid chromatography and to determine the compound profile and [...] Read more.
Plant materials rich in proanthocyanidins are fractionated to determine the structure of these compounds and relate it to bioactivity. The aim of this study was to fractionate a procyanidin-rich hawthorn bark extract using low-pressure liquid chromatography and to determine the compound profile and antioxidant activity of the obtained fractions. We identified and quantified the phenolics of four fractions (I–IV) separated on a Toyopearl HW-40S column with methanol as the mobile phase, using HPLC-DAD and LC-ESI-MS techniques. The antioxidant activity was determined to comprise ABTS•+ and DPPH scavenging activity, ferric-reducing antioxidant power (FRAP), and inhibition of β-carotene-linoleic acid emulsion oxidation. Characteristic data were subjected to principal component analysis (PCA). Fraction I contained mainly (−)-epicatechin (741.3 mg/g) and a lower amount of flavones and quercetin derivatives (100.7 mg/g). Fraction II was almost pure procyanidin B2, which accounted for 88.8% of the total phenolics. The subsequent fractions were rich in B-type procyanidin dimers, trimers, and tetramers. FRAP and antiradical activity against ABTS•+ and DPPH of the fraction containing low-molecular weight phenolics was lower than those of the fractions with procyanidin oligomers. The antioxidant activity of fractions II–IV ranged from 8.95 to 9.28 and from 6.45 to 6.71 mmol TE/g in the ABTS and DPPH assays, respectively. Their FRAP was in the range of 17.67–21.06 mmol Fe2+/g. According to PCA, the procyanidin dimers of fractions II and III were associated with antioxidant activity in these assays. In turn, the procyanidins with the highest degree of polymerization (trimers and tetramers) present in fraction IV were related to the antioxidant activity measured in the β-carotene-linoleic acid emulsion system. Overall, the separation of purified hawthorn bark extract using low-pressure Toyopearl HW-40S column chromatography resulted in a fraction rich in procyanidin B2, as well as fractions containing procyanidins with an increasing degree of polymerization, all with high levels of antioxidant activity under various conditions and the potential for future applications in food, pharmaceuticals, and cosmetics products. Full article
(This article belongs to the Special Issue Modern Trends and Solutions in Analytical Chemistry in Poland)
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23 pages, 4453 KB  
Article
Inhibitory Effects of Bisphenol Z on 11β-Hydroxysteroid Dehydrogenase 1 and In Silico Molecular Docking Analysis
by Tomasz Tuzimski and Mateusz Sugajski
Molecules 2025, 30(19), 3941; https://doi.org/10.3390/molecules30193941 - 1 Oct 2025
Viewed by 580
Abstract
Bisphenol A (BPA) is classified as an endocrine disruptor that mainly mimics the effects of estrogen and disrupts the synthesis of male androgens. Due to the toxicity of BPA, some new analogs, such as bisphenol BPB, BPC, BPF, PBH, and BPZ, were introduced [...] Read more.
Bisphenol A (BPA) is classified as an endocrine disruptor that mainly mimics the effects of estrogen and disrupts the synthesis of male androgens. Due to the toxicity of BPA, some new analogs, such as bisphenol BPB, BPC, BPF, PBH, and BPZ, were introduced into the market. The goal of this research was to demonstrate the applicability of kinetic analysis, in particular, Lineweaver-Burk plots, in assessing the impact of bisphenol Z on enzymatic activity. This study aimed to characterize the inhibitory effects of BPZ on 11β-hydroxysteroid dehydrogenase 1 (11β-HSD1) activity in the transformation of 11-dehydrocorticosterone (DHC) to corticosterone (CORT). During the determination of the enzymatic reaction product, chromatographic analysis conditions were optimized using gradient elution and an Acquity UPLC BEH C18 chromatographic column. The retention time of the assayed corticosterone was approximately 2 min. Also described and compared were graphical methods of analysis and data interpretation, such as Lineweaver-Burk, Eadie-Hofstee, and Hanes-Woolf plots. The experiments demonstrated that bisphenol Z is a mixed 11β-hydroxysteroid dehydrogenase 1 (11β-HSD1) inhibitor, responsible for catalyzing the conversion of 11-dehydrocorticosterone (DHC) to corticosterone (CORT). This relationship was confirmed by analyzing Lineweaver-Burk plots, which showed an increase in apparent KM with a decrease in the constant Vmax, suggesting a mixed inhibition mechanism. Molecular docking and detailed analysis of the interaction profiles revealed that BPZ consistently occupies the active site cavities of all examined enzymes (rat and human 11β-HSD1 and Arabidopsis 11β-HSD2), forming a stabilizing network of non-covalent interactions. Our research has significant biological significance considering the role of the 11β-HSD1 enzyme in the conversion of DHC to CORT and the importance of this process and its functions in adipose tissue, the liver, and the brain. Full article
(This article belongs to the Special Issue Modern Trends and Solutions in Analytical Chemistry in Poland)
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21 pages, 1586 KB  
Article
The Effect of Farming Systems and Cultivars on the Qualitative and Quantitative Composition of Bioactive Compounds in Winter Wheat (Triticum aestivum L.)
by Iwona Kowalska, Agata Soluch, Jarosław Mołdoch and Krzysztof Jończyk
Molecules 2025, 30(4), 902; https://doi.org/10.3390/molecules30040902 - 15 Feb 2025
Cited by 3 | Viewed by 948
Abstract
Triticum aestivum L. subsp. spelta (cv. Rokosz) and common winter wheat Triticum aestivum L. subsp. aestivum (cv. Arktis, Belissa, Estivus, Fidelius, Hondia, Jantarka, KWS Ozon, Linus, Markiza, Ostka Strzelecka, Pokusa) grown in an organic farming system were analyzed and compared. Furthermore, the productivity [...] Read more.
Triticum aestivum L. subsp. spelta (cv. Rokosz) and common winter wheat Triticum aestivum L. subsp. aestivum (cv. Arktis, Belissa, Estivus, Fidelius, Hondia, Jantarka, KWS Ozon, Linus, Markiza, Ostka Strzelecka, Pokusa) grown in an organic farming system were analyzed and compared. Furthermore, the productivity of four common wheat cultivars (cv. Fidelius, Hondia, Jantarka, KWS Ozon) grown under four different (organic, conventional integrated, and monoculture) farming systems was compared. Using UPLC-DAD-MS, UPLC-PDA-MS/MS, and TLC-DPPH, nine phenolic acids, nine alkylresorcinols, and their antiradical activity were identified and quantified. In the organic farming system, the highest yield was observed for T. aestivum L. subsp. aestivum cv. Fidelius (4.17 t/ha). Infections of wheat cultivars were low or at a medium level. The highest resistance to Fusarium fungi was shown by cv. Fidelius, which also exhibited the highest alkylresorcinol content and antioxidant capacity. The total phenolic acid content was highest in cv. Rokosz (1302.3 µg/g), followed by common winter wheat cultivars cv. Linus (1135.1 µg/g) and cv. Markiza (1089.6 µg/g). The potential of winter wheat cultivars for human health and their suitability for cultivation in different production systems was determined, showing significant differences in bioactive compounds depending on cultivars, systems, and years. Full article
(This article belongs to the Special Issue Modern Trends and Solutions in Analytical Chemistry in Poland)
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