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Separations
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Optimization of Advanced Separation Technologies for the Analysis of Emerging...
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Optimization of Advanced Separation Technologies for the Analysis of Emerging Contaminants

A special issue of Separations (ISSN 2297-8739).

Deadline for manuscript submissions: 10 February 2026 | Viewed by 2666

Special Issue Editors

Dr. Barbara Benedetti

E-Mail Website
Guest Editor
Department of Chemistry and Industrial Chemistry, University of Genoa, Genova, Italy
Interests: chromatography; mass spectrometry; design of experiments; chemometrics; passive sampling; sample preparation; green analytical chemistry
Special Issues, Collections and Topics in MDPI journals
Dr. Caterina Durante

E-Mail Website
Guest Editor
Department of Chemical and Geological Sciences, University of Modena and Reggio Emilia, Via Campi 103, 41125 Modena, Italy
Interests: chemometrics; chromatography; spectroscopy; mass spectroscopy; environments; food authenticity
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Separation science is continuously developing the analysis of emerging contaminants in various matrices, both in targeted and non-targeted modes. Given the large number and great variety of physico-chemical properties of these contaminants, providing cutting-edge methods is not straightforward. Often, to obtain desirable method characteristics for many analytes, optimization is required, with a strong need for multivariate strategies to achieve the best outcomes in a time- and cost-effective way. Indeed, having a method which is precise, sensitive, and has a wide scope requires substantial research effort. Chromatography is the elected technique for the analysis of emerging contaminants, and, coupled to mass spectrometry, generally provides excellent performance. Still, effective sample preparation must not be overlooked. Therefore, the current Special Issue welcomes, but is not limited to, research articles, communications, perspective papers, and reviews on the multivariate optimization of both sample preparation and instrumental separation techniques for the determination of emerging contaminants in different samples, including food, environmental, and biological ones. Advances in these topics, related to both targeted and non-targeted methods for emerging contaminants, are appreciated.

Therefore, we warmly invite you to make this Special Issue a success!

Dr. Barbara Benedetti
Dr. Caterina Durante
Guest Editors

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. Separations is an international peer-reviewed open access monthly 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 2600 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

  • emerging contaminants
  • water
  • food contamination
  • design of experiments
  • multivariate analysis
  • gas chromatography
  • liquid chromatography
  • low- and high-resolution mass spectrometry
  • sample preparation

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Published Papers (3 papers)

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Research

14 pages, 1618 KB  
Article
Fast Analytical Separation of Selected Agricultural Pesticides Using Supercritical Fluid Chromatography
by Ana Jano, Manuel Badiola, Ana M. Ares, José Bernal, María Teresa Martín, Laura Toribio and Adrián Fuente-Ballesteros
Separations 2025, 12(12), 333; https://doi.org/10.3390/separations12120333 - 4 Dec 2025
Viewed by 142
Abstract
Pesticides are chemical substances widely used to control, prevent, or eliminate pests in agriculture, gardening, and other sectors. However, their use poses risks to human health, and recent regulatory efforts have focused on minimizing exposure and monitoring residue levels. In this study, the [...] Read more.
Pesticides are chemical substances widely used to control, prevent, or eliminate pests in agriculture, gardening, and other sectors. However, their use poses risks to human health, and recent regulatory efforts have focused on minimizing exposure and monitoring residue levels. In this study, the separation of seven pesticides was investigated using supercritical fluid chromatography coupled to diode-array detection (SFC-DAD). The influence of six different stationary phases and various organic modifiers, as well as additional parameters such as temperature, pressure, and the presence of additives, was systematically evaluated to optimize the chromatographic conditions. The best separation performance was achieved using a LiChrospher® 100 DIOL column with methanol as the organic modifier under a gradient program. Analyses were carried out at a flow rate of 3 mL/min, a column temperature of 35 °C, and a system back pressure of 150 bar, resulting in a total analysis time of approximately 4 min. The optimized method allowed for a faster separation of the selected agricultural pesticides by SFC-DAD compared to conventional chromatographic techniques. Full article
(This article belongs to the Special Issue Optimization of Advanced Separation Technologies for the Analysis of Emerging Contaminants)
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20 pages, 1458 KB  
Article
Comparison and Validation of QuEChERS Extraction Methods Coupled with UHPLC/Orbitrap HR-MS for the Determination of Antibiotics and Related Compounds in Fish and Fish Feed
by Kleopatra Miserli, Vasiliki Boti, Dimitra Hela, Triantafyllos Albanis and Ioannis Konstantinou
Separations 2025, 12(11), 321; https://doi.org/10.3390/separations12110321 - 18 Nov 2025
Viewed by 373
Abstract
The widespread presence of pharmaceutical active compounds (PhACs) in aquatic environments raises significant environmental and public health concerns, particularly through their accumulation in marine biota and potential transfer to humans via seafood. In aquaculture, fish feed is essential for production but may also [...] Read more.
The widespread presence of pharmaceutical active compounds (PhACs) in aquatic environments raises significant environmental and public health concerns, particularly through their accumulation in marine biota and potential transfer to humans via seafood. In aquaculture, fish feed is essential for production but may also act as a pathway for contaminants in the marine environment. This study aimed to develop and validate an analytical method for the extraction and quantification of 14 antibiotics and ethoxyquin antioxidant in fish tissue and feed. Two QuEChERS-based extraction protocols were compared: the AOAC 2007.01 method (Method A) using Z-Sep+ as clean-up, and the original QuEChERS method (Method B) employing Enhanced Matrix Removal (EMR)-lipid. Ultra-performance liquid chromatography coupled with Orbitrap mass spectrometry using electrospray ionization in positive and negative mode was applied for identification and quantification. Validation included assessment of recovery, linearity, precision, limits of detection and quantification, uncertainty, matrix effects, and process efficiency. Both methods showed good linearity (R2 > 0.9899) and precision (<19.7%). Method B achieved superior recoveries for most analytes in both fish tissue (70–110%) and feed (69–119%), with lower uncertainties (<18.4%) compared to Method A. Overall, the original QuEChERS method demonstrated better analytical performance, supporting its application as a green, robust tool for monitoring emerging contaminants in aquaculture products. Full article
(This article belongs to the Special Issue Optimization of Advanced Separation Technologies for the Analysis of Emerging Contaminants)
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18 pages, 2919 KB  
Article
Development of an Efficient HPLC-MS/MS Method for the Detection of a Broad Spectrum of Hydrophilic and Lipophilic Contaminants in Marine Waters: An Experimental Design Approach
by Daniel Bona, Marina Di Carro, Emanuele Magi and Barbara Benedetti
Separations 2025, 12(10), 257; https://doi.org/10.3390/separations12100257 - 23 Sep 2025
Viewed by 1576
Abstract
The present study develops and optimizes a targeted chromatographic method coupled with mass spectrometry, employing design of experiments, for the determination of several emerging contaminants in environmental waters. Their widespread presence poses environmental and health risks due to their pseudo-persistence and unknown long-term [...] Read more.
The present study develops and optimizes a targeted chromatographic method coupled with mass spectrometry, employing design of experiments, for the determination of several emerging contaminants in environmental waters. Their widespread presence poses environmental and health risks due to their pseudo-persistence and unknown long-term effects. Therefore, sensitive and selective analytical methods are essential for their reliable environmental monitoring. This work focuses on 40 organic micro-contaminants with a wide range of polarities, including drugs, pesticides and UV-filters. Chromatographic separation was performed on a pentafluorophenyl column, and a Face-Centered Design was applied for multivariate optimization. Mobile phase flow and temperature were chosen as the study factors, and retention time and peak width as the responses, as indicators of analytical performance. Two optimized runs (for positive and negative electrospray ionization modes) were obtained, enabling the analysis of all 40 analytes in a total of 29 min. The final method was successfully applied to seawater samples from different sites of the Genoa harbor area. Several analytes were detected and quantified, down to the ng L−1 level, with tracers and pharmaceuticals showing the highest concentrations. The method demonstrated satisfactory accuracy, precision and specificity and is suitable for routine monitoring of a broad range of emerging contaminants in seawater. Full article
(This article belongs to the Special Issue Optimization of Advanced Separation Technologies for the Analysis of Emerging Contaminants)
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