Submit to Special Issue Submit Abstract to Special Issue Review for Molecules Propose a Special Issue

Journal Menu

Journal Browser

► Journal Browser

Modern Trends and Solutions in Analytical Chemistry in Poland

Special Issue Editors
Special Issue Information
Keywords
Benefits of Publishing in a Special Issue
Published Papers

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

Deadline for manuscript submissions: 31 December 2026 | Viewed by 7038

Share This Special Issue

Special Issue Editor

Prof. Dr. Tomasz Tuzimski

E-Mail Website
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
Special Issues, Collections and Topics in MDPI journals

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

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 250 words) can be sent to the Editorial Office for assessment.

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

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

Benefits of Publishing in a Special Issue

Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
Reprint: MDPI Books provides the opportunity to republish successful Special Issues in book format, both online and in print.

Further information on MDPI's Special Issue policies can be found here.

Published Papers (8 papers)

Download All Papers

Order results

Result details

Show export options Show export options

Select all

Export citation of selected articles as:

Research

Jump to: Review

18 pages, 1141 KB

Open AccessArticle

Chemical Characterization and Aquatic Toxicity of Firefighting Runoff—Linking Organic Profiling to Multi-Trophic Bioassays in the One Health Framework

by Alicja Trawińska, Maciej Tankiewicz, Kamil Pająk, Monika Cieszyńska-Semenowicz and Andrzej R. Reindl

Molecules 2026, 31(10), 1554; https://doi.org/10.3390/molecules31101554 - 7 May 2026

Viewed by 260

Abstract

This study investigates the organic chemical content and ecological impact of firefighting runoff collected from real-world fire scenarios. To establish a direct link between chemical composition and environmental hazard, a comprehensive analytical framework was employed, integrating molecular fingerprinting via gas chromatography–tandem mass spectrometry (GC-MS/MS) with a multi-trophic battery of bioassays, including Aliivibrio fischeri, Heterocypris incongruens, and Sinapis alba L. The chemical characterization revealed highly heterogeneous profiles dominated by esters (up to 41%), alcohols (up to 25%), and phenols (up to 22%). A unique molecular marker, nitriles (15.9%), was identified in tire-related fire effluents, which corresponded with potent metabolic suppression in the Toxi-ChromoTest™. Ecotoxicological results demonstrated that most effluents reached Class IV (high acute toxicity), with universal 100% lethality observed in samples from large-scale incidents. Furthermore, a significant stimulatory effect was detected in S. alba (growth stimulation up to 12%) for scenarios involving polyurethane foam, illustrating the selective toxicity of specific molecular groups. Beyond ecological degradation, the high phenolic and nitrile loads identified across multiple scenarios represent a substantial public health risk, as these persistent contaminants can infiltrate groundwater, bypass conventional water treatment, and bioaccumulate in the human food chain. The findings suggest that the synergistic effect of hydrophobic xenobiotics and firefighting foams poses a severe threat to both aquatic biodiversity and human chemical safety. This research emphasizes that linking molecular fingerprinting with multi-level bioindicators is essential for a holistic risk assessment of firefighting operations. Full article

(This article belongs to the Special Issue Modern Trends and Solutions in Analytical Chemistry in Poland)

► Show Figures

Figure 1

15 pages, 4472 KB

Open AccessArticle

Potential Clinical Application of Determination of Bisphenols in Pericardial Fluid from Patients with Coronary Artery Disease

by Tomasz Tuzimski, Kamil Baczewski, Viorica Railean, Daria Tarkowska and Małgorzata Szultka-Młyńska

Molecules 2026, 31(9), 1442; https://doi.org/10.3390/molecules31091442 - 27 Apr 2026

Viewed by 246

Abstract

Bisphenols may negatively impact human health, including the heart and circulatory system. It is crucial to determine the presence of these xenobiotics in biological samples, including pericardial fluid. Pericardial fluid was collected from patients with acute coronary syndromes (ACS), and with coronary artery disease during coronary artery bypass surgery. Bisphenol residues were identified and quantified in samples from 15 patients. Quantitative analysis of bisphenols in the samples was performed by LC–MS/MS on a triple quadrupole (QqQ) mass spectrometer and electrospray ionization (ESI−/ESI+) was applied in the negative and positive ion modes, respectively. The procedure was successfully applied to the biomonitoring of free forms of 14 bisphenols in pericardial fluid. After statistical examination of the relationships between the selected variables, it was concluded that while male subjects demonstrated higher Body Mass Index (BMI), longer procedural times, and earlier troponin release, female subjects exhibited later but more pronounced increases in CK and TrI, suggesting differences in kinetics and physiological response. Full article

(This article belongs to the Special Issue Modern Trends and Solutions in Analytical Chemistry in Poland)

► Show Figures

Figure 1

22 pages, 1379 KB

Open AccessArticle

Multielement Analysis of Selected Superfood Seeds and Grains Using ICP-OES: Sources of Essential and Toxic Elements

by Elżbieta Maćkiewicz, Piotr Wysocki and Małgorzata Iwona Szynkowska-Jóźwik

Molecules 2026, 31(9), 1374; https://doi.org/10.3390/molecules31091374 - 22 Apr 2026

Viewed by 467

Abstract

The term ‘superfoods’ refers to a rapidly expanding group of food products that have gained increasing global interest due to their high nutritional value and association with health-oriented dietary patterns. Many superfoods, particularly grains and seeds, are rich sources of essential minerals, plant protein, dietary fibre, and bioactive compounds, making them valuable components of gluten-free, vegetarian, and vegan diets. The aim of this study was to evaluate the elemental composition of selected superfood grains and seeds and to verify the reliability of manufacturers’ declarations. The analyses confirmed that the investigated samples possess a rich macro- and trace elemental composition, with pronounced differences among product groups. Based on median concentrations, pumpkin and hemp seeds were characterized by generally high levels of Mg, K, P, Fe, Mn, and Zn, whereas chia seeds exhibited notably elevated Ca content. In contrast, quinoa and amaranth showed comparatively lower elemental concentrations. Most of the results obtained for the analysed products are within the permissible deviation from the value declared on the packaging, as specified in the relevant EU regulations. The presence of potentially toxic elements, including Al, Pb, and Cd, was also detected. Cadmium accumulation was of particular concern in flax seeds, where all samples exceeded the limit of quantification and approached permissible levels. Principal component analysis revealed clear clustering patterns, indicating similarities between amaranth and quinoa, as well as between hemp and pumpkin seeds, while chia and flax seeds formed distinct groups. These results highlight both the nutritional potential of superfoods and the necessity for independent verification of their elemental composition. Full article

(This article belongs to the Special Issue Modern Trends and Solutions in Analytical Chemistry in Poland)

► Show Figures

Figure 1

17 pages, 2333 KB

Open AccessArticle

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 1011

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 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)

► Show Figures

Figure 1

18 pages, 1064 KB

Open AccessArticle

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

Cited by 2 | Viewed by 1186

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 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)

► Show Figures

Graphical abstract

23 pages, 4453 KB

Open AccessArticle

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

Cited by 1 | Viewed by 948

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 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 K_M with a decrease in the constant V_max, 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)

► Show Figures

Figure 1

21 pages, 1586 KB

Open AccessArticle

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 5 | Viewed by 1259

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 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)

► Show Figures

Graphical abstract

Review

Jump to: Research

18 pages, 515 KB

Open AccessReview

HPLC and CE Procedures for the Determination of Fluoroquinolones (2020–2025)

by Paweł Kubalczyk, Izabella Kośka and Rafał Głowacki

Molecules 2026, 31(4), 651; https://doi.org/10.3390/molecules31040651 - 13 Feb 2026

Cited by 2 | Viewed by 779

Abstract

Fluoroquinolones (FQLs) are synthetic derivatives of the quinolone class, originally developed from the nalidixic acid scaffold. FQLs are widely used in human and animal medicine due to their broad spectrum of activity against Gram-positive and Gram-negative bacteria. Their strong bactericidal properties result from the inhibition of bacterial DNA transcription and replication. However, inappropriate use of these antibiotics often leads to toxic side effects, environmental pollution, and the development of antibiotic resistance in bacteria. Recently, numerous methods for determination of FQLs in various matrices have been developed using separation techniques such as high-performance liquid chromatography and capillary electrophoresis. In recent years, analytical procedures have employed a range of detection methods, including UV–Vis spectrophotometry, electrochemiluminescence, mass spectrometry, and fluorescence. Most of these procedures involve some form of extraction during the sample preparation step. This report summarizes the development of FQL determination methods over the last five years and may assist in selecting an appropriate procedure for a given sample matrix. Full article

(This article belongs to the Special Issue Modern Trends and Solutions in Analytical Chemistry in Poland)

► Show Figures

Journal Menu

Journal Browser

Modern Trends and Solutions in Analytical Chemistry in Poland

Share This Special Issue

Special Issue Editor

Special Issue Information

Keywords

Benefits of Publishing in a Special Issue

Published Papers (8 papers)

Research

Review

Further Information

Guidelines

MDPI Initiatives

Follow MDPI