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Special Issue "Advanced Analysis of Contaminants of Emerging Concern "

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

Deadline for manuscript submissions: 30 June 2019

Special Issue Editor

Guest Editor
Prof. Dr. Simone Morais

REQUIMTE–LAQV, Instituto Superior de Engenharia do Porto, 4249-015 Porto, Portugal
E-Mail
Interests: analytical and environmental chemistry; (bio)sensors; chemically modified electrodes; application of nanofunctional materials; new methodologies for (electro)analysis

Special Issue Information

Dear Colleagues,

Contaminants of emerging concern (CECs) are receiving increasing interest from the scientific community and regulatory authorities. They are chemical substances not currently included in routine monitoring programs, but which can be candidates for future regulation depending on their (eco)toxicity, potential health effects, and occurrence in environmental and food matrices. CECs may also be substances for which the maximum levels have been laid down but which require revision. CECs include (but are not limited to) several types of chemicals, namely pharmaceuticals and personal care products, including human prescribed drugs (e.g., antibiotics, psychiatric drugs, analgesics/anti-inflammatory drugs, etc.), over-the-counter medications (e.g., ibuprofen), and veterinary medicines (such as antibiotics, anti-fungals, growth promoters and hormones), to name some of the most relevant groups. The occurrence patterns of CECs are varied, with very limited information concerning their several environmental compartments and other complex matrices. Thus, considering their bioactivity, including the endocrine disrupting activity and bioaccumulation potential of several of these compounds, the development, validation and application of reliable and fit-for-purpose methods for analysis of CECs is an appropriate objective to strive for.

The aim of this Special Issue is to disseminate original research and review studies that address advances, trends, challenges and future perspectives concerning tools for CEC analysis. Real applications also deserve special attention.

Prof. Dr. Simone Morais
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 papers will be 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 1800 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

  • contaminants of emerging concern
  • advanced analytical techniques
  • sample preparation techniques
  • hyphenated techniques
  • chromatographic techniques
  • sensors and biosensors
  • multiresidue analysis
  • real sample analysis

Published Papers (3 papers)

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Research

Open AccessArticle
Modelling Contaminant Formation during Thermal Processing of Sea Buckthorn Purée
Molecules 2019, 24(8), 1571; https://doi.org/10.3390/molecules24081571
Received: 3 April 2019 / Revised: 17 April 2019 / Accepted: 18 April 2019 / Published: 20 April 2019
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Abstract
Background: The impact of thermal treatment on acrylamide (ACR) and hydroxymethylfurfural (HMF) formation was investigated for thermally treated sea buckthorn purée. Methods: An optimized procedure for minimizing ACR and HMF formation in thermally treated sea buckthorn purée was described. The precursors [...] Read more.
Background: The impact of thermal treatment on acrylamide (ACR) and hydroxymethylfurfural (HMF) formation was investigated for thermally treated sea buckthorn purée. Methods: An optimized procedure for minimizing ACR and HMF formation in thermally treated sea buckthorn purée was described. The precursors of ACR and HMF and their impact in heating of sea buckthorn purée to obtain jam-like products were also evaluated. Results: The contaminant content formed in samples was analyzed on thirteen running variants using a temperature range of 59.3–200.7 °C, and for heating durations between 5.9 and 34.1 min. The calculated equations of contaminant formation in sea buckthorn purée have established that the minimum content is formed at the lowest exposure time, between 10 and 20 min, for both ACR and HMF. The lowest ACR content was attained at 5.9-min exposure time and 130 °C temperature (0.3 µg/kg). For HMF the results revealed a lower quantity at 59.3 °C for 20-min exposure time (1.4 mg/kg). Conclusions: the found model is useful for the prediction of the best temperature/time conditions of the thermal treatment to obtain the lowest contaminates levels in the final product. Full article
(This article belongs to the Special Issue Advanced Analysis of Contaminants of Emerging Concern )
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Open AccessArticle
Formation of Ethyl Carbamate during the Production Process of Cantonese Soy Sauce
Molecules 2019, 24(8), 1474; https://doi.org/10.3390/molecules24081474
Received: 12 March 2019 / Revised: 13 April 2019 / Accepted: 14 April 2019 / Published: 15 April 2019
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Abstract
The aim of this work was to clarify the formation of ethyl carbamate (EC) and its influence factors throughout the production process of Cantonese soy sauce. The results showed that EC was not detected in the koji-making and early moromi fermentation stages, [...] Read more.
The aim of this work was to clarify the formation of ethyl carbamate (EC) and its influence factors throughout the production process of Cantonese soy sauce. The results showed that EC was not detected in the koji-making and early moromi fermentation stages, but started to be generated when pH of the moromi decreased to about 4.9—at the same time, the levels of ethanol, urea and citrulline increased significantly. Most EC was formed during raw soy sauce hot extraction (40.6%) and sterilization (42.9%) stages. The EC content exhibited the highest correlation with ethanol throughout the whole production process (R = 0.97). The simulation soy sauce produced in laboratory led the same conclusion—moreover, the contents of EC, ethanol and citrulline were higher in soy sauce fermented at 30 °C than in soy sauce fermented at 15 °C. Extraction of raw soy sauce by squeezing contributed little to EC formation. Further research showed that citrulline and ethanol led to significant increases in EC levels in raw soy sauce upon heating. These results indicate that ethanol and citrulline are two critical precursors of EC and that EC is mainly formed during the heat treatment stage of soy sauce. Full article
(This article belongs to the Special Issue Advanced Analysis of Contaminants of Emerging Concern )
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Open AccessArticle
Chromo-Fluorogenic Detection of Soman and Its Simulant by Thiourea-Based Rhodamine Probe
Molecules 2019, 24(5), 827; https://doi.org/10.3390/molecules24050827
Received: 3 February 2019 / Revised: 18 February 2019 / Accepted: 18 February 2019 / Published: 26 February 2019
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Abstract
Here, we introduced a novel thiourea-based rhodamine compound as a chromo-fluorogenic indicator of nerve agent Soman and its simulant diethyl chlorophosphate (DCP). The synthesized probe N-(rhodamine B)-lactam-2-(4-cyanophenyl) thiourea (RB-CT), which has a rhodamine core linked by a cyanophenyl thiosemicarbazide group, enabled a rapidly [...] Read more.
Here, we introduced a novel thiourea-based rhodamine compound as a chromo-fluorogenic indicator of nerve agent Soman and its simulant diethyl chlorophosphate (DCP). The synthesized probe N-(rhodamine B)-lactam-2-(4-cyanophenyl) thiourea (RB-CT), which has a rhodamine core linked by a cyanophenyl thiosemicarbazide group, enabled a rapidly and highly sensitive response to DCP with clear fluorescence and color changes. The detection limit was as low as 2 × 10−6 M. The sensing mechanism showed that opening of the spirolactam ring following the phosphorylation of thiosemicarbazides group formed a seven-membered heterocycle adduct, according to MS analysis and TD-DFT calculations. RB-CT exhibited high detecting selectivity for DCP, among other organophosphorus compounds. Moreover, two test kits were employed and successfully used to detect real nerve agent Soman in liquid and gas phase. Full article
(This article belongs to the Special Issue Advanced Analysis of Contaminants of Emerging Concern )
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