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Analytical Chemistry in Europe: Towards Sustainability and Quality of Life, 2nd Edition

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

Deadline for manuscript submissions: 31 December 2024 | Viewed by 5379

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Dr. Luís Passarinha

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1. Associate Laboratory i4HB, Institute for Health and Bioeconomy, NOVA School of Science and Technology, Universidade NOVA de Lisboa, 2819-516 Caparica, Portugal
2. UCIBIO–Applied Molecular Biosciences Unit, Chemistry Department, NOVA School of Science and Technology, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal
3. CICS-UBI-Health Sciences Research Centre, University of Beira Interior, 6201-506 Covilhã, Portugal
Interests: method development and validation; electrochemical detection; proteomics; protein biomarkers
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Prof. Dr. Eugenia Gallardo

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1. Health Sciences Research Centre, University of Beira Interior (CICS-UBI), 6200-506 Covilhã, Portugal
2. Pharmaco-Toxicology Laboratory, UBIMedical, University of Beira Interior, 6200-284 Covilhã, Portugal
3. Centro Académico Clínico das Beiras (CACB)—Grupo de Problemas Relacionados com Toxicofilias, 6200-284 Covilhã, Portugal
Interests: toxicology; analytical method development; recreational drugs; natural psychoactive substances; therapeutic drug monitoring; sample preparation; alternative samples; miniaturized extraction procedures
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Dr. Mário Barroso

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AlphaBiolabs, 14 Webster Court, Carina Park, Warrington WA5 8WD, UK
Interests: method development and validation; hair testing; alternative specimens; drug monitoring; toxicology

Special Issue Information

Dear Colleagues,

Due to the success of the previous Special Issue, we are pleased to announce the opening of this second edition of the Special Issue “Analytical Chemistry in Europe: Towards Sustainability and Quality of Life, 2nd Edition”. This Special Issue intends to gather full scientific papers, short communications, and review articles covering novel analytical and bioanalytical methods and technology that have a huge societal impact as well as technology that is sufficiently innovative, robust, and accurate compared to other methods that are currently available for the intended application. Developments with interdisciplinary approaches are welcome in particular, and systems should be proven with suitably complex and analytically challenging samples.

Presenting a very broad scope, this Special Issue welcomes papers covering but not limited to the following technologies and emergent applications: global health; point-of-care and molecular diagnostics; biosensors and bioengineering; drug development and pharmaceutical analysis; microfluidics and nanotechnology; omics analysis (such as proteomics, metabolomics or glycomics); environmental, veterinary, agricultural and food science; neuroscience; biochemical and clinical and forensic analysis; and industrial process and method development.

This Special Issue will provide an excellent collection of academic papers and will be able to act as a reference tool for researchers, particularly those working in the fields of biotechnology, medicine, food sciences, pharmaceutical sciences, chemistry, toxicology, and biology, including health and industry professionals.

We are looking forward to receiving your contributions.

Dr. Luís Passarinha
Prof. Dr. Eugenia Gallardo
Dr. Mário Barroso
Guest Editors

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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.

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 bioanalytical methods
chemistry
drugs
toxic compounds
biomarkers
sample preparation
life quality
sustainability

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Analytical Chemistry in Europe: Towards Sustainability and Quality of Life in Molecules (18 articles)

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Research

22 pages, 1495 KiB

Open AccessArticle

Study of Endocrine-Disrupting Chemicals in Infant Formulas and Baby Bottles: Data from the European LIFE-MILCH PROJECT

by Francesca Nuti, Feliciana Real Fernández, Mirko Severi, Rita Traversi, Vassilios Fanos, Maria Elisabeth Street, Paola Palanza, Paolo Rovero and Anna Maria Papini

Molecules 2024, 29(22), 5434; https://doi.org/10.3390/molecules29225434 - 18 Nov 2024

Viewed by 425

Abstract

Exposure to endocrine-disrupting chemicals (EDCs) is inevitable, and growing scientific evidence indicates that even very low doses can negatively impact human health, particularly during pregnancy and the neonatal period. As part of the European project LIFE18 ENV/IT/00460, this study aims to identify the presence of EDCs in 20 infant formulas (both powdered and liquid) and the release from baby bottles and teats. Particularly, sensitization of young people and future parents towards the potential harmful effects of EDCs could significantly help to reduce exposure. Seven different UPLC-MS/MS methodologies and one ICP-AES were set up to quantify already assessed and suspected EDCs among 85 different chemicals (bisphenols, parabens, PAHs, phthalates, pesticides, herbicides and their main metabolites, PFAS, and metals). Results showed that in 2 out of 14 baby bottles, only anthracene and phenanthrene of the group of PAHs were released (10.68–10.81 ng/mL). Phthalates such as mono-ethyl phthalate (MEP) were found in 9 of 14 samples (0.054–0.140 ng/mL), while mono(2-ethyl-5-oxohexyl) phthalate (MeOHP) appeared in 2 samples (0.870–0.930 ng/mL). In accordance with current EU regulations, other chemicals were not detected in baby bottles and teats. However, bisphenols, parabens, PAHs, phthalates, PFAS, and metals were detected in infant formula, emphasizing the need for continued monitoring and public health interventions. Full article

(This article belongs to the Special Issue Analytical Chemistry in Europe: Towards Sustainability and Quality of Life, 2nd Edition)

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23 pages, 3017 KiB

Open AccessArticle

Structural Characterization and Profiles of Saponins from Two Algerian Sea Cucumbers

by Ihcene Khodja, Karim Mezali, Philippe Savarino, Pascal Gerbaux, Patrick Flammang and Guillaume Caulier

Molecules 2024, 29(22), 5346; https://doi.org/10.3390/molecules29225346 - 13 Nov 2024

Viewed by 613

Abstract

Sea cucumbers are benthic marine invertebrate members of the phylum Echinodermata. Due to the absence of a rigid skeleton, these species have developed chemical defenses based on the production of saponins (triterpene glycosides). These secondary metabolites are bioactive molecules with a broad biological, ecological, and pharmaceutical spectrum. However, the saponin profiles of several species of sea cucumbers are not known yet. The present study aims to highlight the mixture of saponins in two sea cucumber species from the Algerian coast, namely Holothuria (Holothuria) algeriensis, which has been recently described in central and western Algerian waters, and Holothuria (Roweothuria) arguinensis, originating from the Atlantic Ocean and reported in Algeria for the first time in 2014. Saponin extracts from three individuals of H. (H.) algeriensis and two individuals of H. (R.) arguinensis were analyzed using mass spectrometry, i.e., Matrix-assisted Laser Desorption/Ionization mass spectrometry (MALDI-MS), MALDI-High Resolution MS (MALDI-HRMS), Liquid Chromatography MS (LC-MS) and tandem MS (LC-MS/MS). These analyses allow us to detect 11 and 18 elemental compositions for H. (H.) algeriensis and H. (R.) arguinensis, respectively, each presenting several isomers. In total, 13 new saponin structures are proposed, of which four are common between the two species, six are specific to H. (H.) algeriensis and three to H. (R.) arguinensis. The saponin profiles of the two species were compared to those of other species of the same genus existing on the Algerian coast and the results showed that they share non-sulfated saponins with Holothuria (Panningothuria) forskali and Holothuria (Platyperona) sanctori and sulfated saponins with Holothuria (Holothuria) tubulosa and Holothuria (Roweothuria) poli. Full article

(This article belongs to the Special Issue Analytical Chemistry in Europe: Towards Sustainability and Quality of Life, 2nd Edition)

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15 pages, 3766 KiB

Open AccessArticle

Investigation of the Frying Fume Composition During Deep Frying of Tempeh Using GC-MS and PTR-MS

by Rohmah Nur Fathimah and Tomasz Majchrzak

Molecules 2024, 29(21), 5046; https://doi.org/10.3390/molecules29215046 - 25 Oct 2024

Viewed by 442

Abstract

This study employed proton transfer reaction mass spectrometry (PTR-MS) and gas chromatography–mass spectrometry (GC-MS) to identify and monitor volatile organic compounds (VOCs) in frying fumes generated during the deep frying of tempeh. The research aimed to assess the impact of frying conditions, including frying temperature, oil type, and repeated use cycles, on the formation of thermal decomposition products. A total of 78 VOCs were identified, with 42 common to both rapeseed and palm oil. An algorithm based on cosine similarity was proposed to group variables, resulting in six distinct emission clusters. The findings highlighted the prominence of saturated and unsaturated aldehydes, underscoring the role of fatty acid oxidation in shaping the frying fume composition. This study not only corroborates previous research but also provides new insights into VOC emissions during deep frying, particularly regarding the specific emission profiles of certain compound groups and the influence of frying conditions on these profiles. Full article

(This article belongs to the Special Issue Analytical Chemistry in Europe: Towards Sustainability and Quality of Life, 2nd Edition)

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18 pages, 2104 KiB

Open AccessArticle

Integrating Epoxidation, High-Resolution Mass Spectrometry and Ultraviolet Spectroscopy to Unravel the Complex Profile of Boswellic Acids and Related Compounds in the Boswellia serrata Gum Resin Extract

by Andrea Castellaneta, Ilario Losito, Stefania Cometa, Francesco Busto, Elvira De Giglio and Tommaso R. I. Cataldi

Molecules 2024, 29(20), 4967; https://doi.org/10.3390/molecules29204967 - 21 Oct 2024

Viewed by 556

Abstract

The chemical characterization of natural products is often a complex task that demands powerful analytical techniques. Liquid chromatography with high-resolution tandem mass spectrometry (HRMS/MS) is often employed, yet it can face hard challenges when isomeric species are present, and reference standards are lacking. In such cases, the confidence level in compound identification can be significantly improved by the collection of orthogonal information on target analytes. In this work, 23 key compounds in Boswellia serrata extract (BSE), 12 of which correspond to boswellic acids (BAs) and 11 to triterpenoidic acid isomers, were identified by combining RPLC followed by serial UV and ESI(-)-FTMS and FTMS/MS detections with the evaluation of the reactivity towards C=C bond epoxidation with meta-chloroperoxybenzoic acid (m-CPBA), proposed as a fast chemical tool to gather information about C=C bond steric hindrance, a key structural feature of BAs and related compounds. The interpretation of UV spectra acquired after chromatographic separation corroborated the identification of the substitution patterns of enonic and dienic residues in ketoboswellic and dehydroboswellic acids. Moreover, MS/MS based on higher-energy collision-induced dissociation (HCD) unveiled new fragmentation pathways, providing important structural details on target analytes. The integrated approach developed during this study might pave the way for a deeper understanding of the BSE bioactive properties. Moreover, it can be considered an example of a more general strategy for the analysis of complex mixtures of natural compounds including also isomeric species. Full article

(This article belongs to the Special Issue Analytical Chemistry in Europe: Towards Sustainability and Quality of Life, 2nd Edition)

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14 pages, 1659 KiB

Open AccessArticle

A New Activity Assay Method for Diamine Oxidase Based on Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry

by Jan Strnad, Miroslav Soural and Marek Šebela

Molecules 2024, 29(20), 4878; https://doi.org/10.3390/molecules29204878 - 14 Oct 2024

Viewed by 702

Abstract

Copper-containing diamine oxidases are ubiquitous enzymes that participate in many important biological processes. These processes include the regulation of cell growth and division, programmed cell death, and responses to environmental stressors. Natural substrates include, for example, putrescine, spermidine, and histamine. Enzymatic activity is typically assayed using spectrophotometric, electrochemical, or fluorometric methods. The aim of this study was to develop a method for measuring activity using matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry based on the intensity ratio of product to product-plus-substrate signals in the reaction mixtures. For this purpose, an enzyme purified to homogeneity from pea (Pisum sativum) seedlings was used. The method employed α-cyano-4-hydroxycinnamic acid as a matrix with the addition of cetrimonium bromide. Product signal intensities with pure compounds were evaluated in the presence of equal substrate amounts to determine intensity correction factors for data processing calculations. The kinetic parameters k_cat and K_m for the oxidative deamination of selected substrates were determined. These results were compared to parallel measurements using an established spectrophotometric method, which involved a coupled reaction of horseradish peroxidase and guaiacol, and were discussed in the context of data from the literature and the BRENDA database. It was found that the method provides accurate results that are well comparable with parallel spectrophotometry. This method offers advantages such as low sample consumption, rapid serial measurements, and potential applicability in assays where colored substances interfere with spectrophotometry. Full article

(This article belongs to the Special Issue Analytical Chemistry in Europe: Towards Sustainability and Quality of Life, 2nd Edition)

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15 pages, 2807 KiB

Open AccessArticle

Application of Fabric Phase Sorptive Extraction as a Green Method for the Analysis of 10 Anti-Diabetic Drugs in Environmental Water Samples

by Augosto Misolas, Mohamad Sleiman and Vasilios Sakkas

Molecules 2024, 29(20), 4834; https://doi.org/10.3390/molecules29204834 - 12 Oct 2024

Viewed by 604

Abstract

Due to the increased prevalence of diabetes, the consumption of anti-diabetic drugs for its treatment has likewise increased. Metformin is an anti-diabetic drug that is commonly prescribed for patients with type 2 diabetes and has been frequently detected in surface water and wastewaters, thus representing an emerging contaminant. Metformin can be prescribed in combination with other classes of anti-diabetic drugs; however, these drugs are not sufficiently investigated in environmental samples. Fabric phase sorptive extraction (FPSE) has emerged as a simple and green method for the extraction of analytes in environmental samples. In this study, FPSE coupled with a high-performance liquid chromatography diode array detector (HPLC-DAD) was employed for the simultaneous analysis of different classes of anti-diabetic drugs (metformin, dapagliflozin, liraglutide, pioglitazone, gliclazide, glimepiride, glargine, repaglinide, sitagliptin, and vildagliptin) in environmental water samples. Four different fabric membranes were synthesized but the microfiber glass filter coated with sol-gel polyethylene glycol (PEG 300) was observed to be the best FPSE membrane. The parameters affecting the FPSE process were optimized using a combination of one-factor-at-a-time processes and the design of experiments. The FPSE was evaluated as a green extraction method, based on green sample preparation criteria. The FPSE-HPLC-DAD method achieved acceptable validation results and was applied for the simultaneous analysis of anti-diabetic drugs in surface and wastewater samples. Glimepiride was detected below the quantification limit in both lake and river water samples. Dapagliflozin, liraglutide, and glimepiride were detected at 69.0 ± 1.0 μg·L⁻¹, 71.9 ± 0.4 μg·L⁻¹, and 93.9 ± 1.3 μg·L⁻¹, respectively, in the city wastewater influent. Dapagliflozin and glimepiride were still detected below the quantification limit in city wastewater effluent. For the hospital wastewater influent, metformin and glimepiride were detected at 1158 ± 21 μg·L⁻¹ and 28 ± 0.8 μg·L⁻¹, respectively, while only metformin (392.6 ± 7.7 μg·L⁻¹) was detected in hospital wastewater effluent. Full article

(This article belongs to the Special Issue Analytical Chemistry in Europe: Towards Sustainability and Quality of Life, 2nd Edition)

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15 pages, 6871 KiB

Open AccessArticle

A Trianalyte µPAD for Simultaneous Determination of Iron, Zinc, and Manganese Ions

by Barbara Rozbicka, Robert Koncki and Marta Fiedoruk-Pogrebniak

Molecules 2024, 29(20), 4805; https://doi.org/10.3390/molecules29204805 - 11 Oct 2024

Viewed by 437

Abstract

In this work, a microfluidic paper-based analytical device (µPAD) for simultaneous detection of Fe, Zn, and Mn ions using immobilized chromogenic reagents Ferene S, xylenol orange, and 1-(2-pyridylazo)-2-naphthol, respectively, is presented. As the effective recognition of analytes via respective chromogens takes place under extremely different pH conditions, experiments reported in this publication are focused on optimization of the µPAD architecture allowing for the elimination of potential cross effects. The paper-based microfluidic device was fabricated using low-cost and well-reproducible wax-printing technology. For optical detection of color changes, an ordinary office scanner and self-made RGB-data processing program were applied. Optimized and stable over time, µPADs allow fast, selective, and reproducible multianalyte determinations at submillimolar levels of respective heavy metal ions, which was confirmed by results of the analysis of solutions mimicking real samples of wastewater. The presented concept of simultaneous determination of different analytes that required extremely different conditions for detection can be useful for the development of other multianalyte microfluidic paper-based devices in the µPAD format. Full article

(This article belongs to the Special Issue Analytical Chemistry in Europe: Towards Sustainability and Quality of Life, 2nd Edition)

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21 pages, 5064 KiB

Open AccessArticle

Application of UHPLC-QqQ-MS/MS Method for Quantification of Beta-Adrenergic Blocking Agents (β-Blockers) in Human Postmortem Specimens

by Paweł Szpot, Kaja Tusiewicz, Olga Wachełko and Marcin Zawadzki

Molecules 2024, 29(19), 4585; https://doi.org/10.3390/molecules29194585 - 27 Sep 2024

Viewed by 729

Abstract

Betablockers are one of the most frequently used medications in cardiology. They can lead to fatal drops in blood pressure and heart rhythm disturbances. Death is functional, and poisoning with this group of drugs can be difficult to detect. The liquid–liquid extraction (LLE) method developed using ethyl acetate at pH 9 successfully identified 18 β-blockers in human blood. The method’s limit of quantification (LOQ) was in the range of 0.1 to 0.5 ng/mL. No carryover of substances between samples was detected, and no interfering ion current signals were observed in the biological samples at the retention times of the compounds or internal standards. All compounds had a coefficient of determination (R²) above 0.995. Intraday and interday precision (RSD%) and accuracy (RE%) for low and high QC levels were within 1.7–12.3% and −14.4 to 14.1%, respectively. Very good recovery (80.0–119.6%) and matrix effect (±20.0%) values were achieved for all compounds. In addition, fragmentation spectra were collected for all the examined substances, and high-resolution spectra were presented for landiolol and metipranolol, because they are not available in commercial HRMS spectra databases. The developed method was applied in authentic postmortem samples. Full article

(This article belongs to the Special Issue Analytical Chemistry in Europe: Towards Sustainability and Quality of Life, 2nd Edition)

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14 pages, 2839 KiB

Open AccessArticle

Adsorptive Stripping Voltammetric Quercetin Determination in Pharmaceuticals and Urine Samples Using a Long Service-Life Array of Carbon Composite Microelectrodes

by Iwona Gęca and Mieczyslaw Korolczuk

Molecules 2024, 29(18), 4464; https://doi.org/10.3390/molecules29184464 - 20 Sep 2024

Viewed by 489

Abstract

This article presents for the first time a new working electrode with a long service life— the bismuth-plated array of carbon composite microelectrodes for the simple, fast and sensitive determination of quercetin by adsorptive stripping voltammetry. The main experimental conditions were selected. The calibration graph was linear from 1 × 10⁻⁹ to 2 × 10⁻⁸ mol L⁻¹ with an accumulation time of 60 s. The detection limit was equal to 4.8 × 10⁻¹⁰ mol L⁻¹. The relative standard deviation for 2 × 10⁻⁸ mol L⁻¹ of quercetin was 4.4% (n = 7). Possible interference effects resulting from the presence of other organic and surface active compounds and interfering ions were studied. The developed procedure was successfully applied to determine quercetin in pharmaceutical preparations and the spiked urine samples. Full article

(This article belongs to the Special Issue Analytical Chemistry in Europe: Towards Sustainability and Quality of Life, 2nd Edition)

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