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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: closed (15 November 2019) | Viewed by 23476

Special Issue Editor

REQUIMTE–LAQV, School of Engineering, Polytechnic Institute of Porto, 4249-015 Porto, Portugal
Interests: environmental chemistry; green chemistry; circular economy; (bio)sensors; monitoring and biomonitoring; nanotechnology
Special Issues, Collections and Topics in MDPI journals

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

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Keywords

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

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Published Papers (6 papers)

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Research

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13 pages, 820 KiB  
Article
Analysis of the Carry-Over of Ochratoxin A from Feed to Milk, Blood, Urine, and Different Tissues of Dairy Cows Based on the Establishment of a Reliable LC-MS/MS Method
by Zhiqi Zhang, Zhichen Fan, Dongxia Nie, Zhihui Zhao and Zheng Han
Molecules 2019, 24(15), 2823; https://doi.org/10.3390/molecules24152823 - 02 Aug 2019
Cited by 15 | Viewed by 3520
Abstract
A rapid and reliable liquid chromatography-tandem mass spectrometry (LC-MS/MS) method was developed for simultaneous determination of ochratoxin A (OTA) and its metabolite ochratoxin α (OTα), for the first time, in dairy cow plasma, milk, urine, heart, liver, spleen, lung, and kidney. The established [...] Read more.
A rapid and reliable liquid chromatography-tandem mass spectrometry (LC-MS/MS) method was developed for simultaneous determination of ochratoxin A (OTA) and its metabolite ochratoxin α (OTα), for the first time, in dairy cow plasma, milk, urine, heart, liver, spleen, lung, and kidney. The established method was extensively validated by determining the linearity (R2 ≥ 0.990), sensitivity (lower limit of quantification, 0.1–0.2 ng mL−1), recovery (75.3–114.1%), precision (RSD ≤ 13.6%), and stability (≥83.0%). Based on the methodological advances, the carry-over of OTA was subsequently studied after oral administration of 30 μg/kg body weight OTA to dairy cows. As revealed, OTA and OTα were detected in urine, with maximal concentrations of 1.8 ng mL−1 and 324.6 ng mL−1, respectively, but not in milk, plasma, or different tissues, verifying the protection effects of rumen flora against OTA exposure for dairy cows. Moreover, 100 fresh milk samples randomly collected from different supermarkets in Shanghai were also analyzed, and no positive samples were found, further proving the correctness of the in vivo biotransformation results. Thus, from the currently available data, regarding OTA contamination issues on dairy cows, no significant health risks were related to OTA exposure due to the consumption of these products. Full article
(This article belongs to the Special Issue Advanced Analysis of Contaminants of Emerging Concern )
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13 pages, 9853 KiB  
Article
Magnetic Solid-Phase Extraction of Dichlorodiphenyltrichloroethane and Its Metabolites from Environmental Water Samples Using Ionic Liquid Modified Magnetic Multiwalled Carbon Nanotube/Zeolitic Imidazolate Framework-8 as Sorbent
by Xiaodong Huang, Yanan Liu, Huifang Liu, Guangyang Liu, Xiaomin Xu, Lingyun Li, Jun Lv, Zhongxiao Liu, Wenfeng Zhou and Donghui Xu
Molecules 2019, 24(15), 2758; https://doi.org/10.3390/molecules24152758 - 29 Jul 2019
Cited by 17 | Viewed by 3259
Abstract
As persistent organic pollutants, dichlorodiphenyltrichloroethanes (DDTs) and their metabolites pose considerable risks to human health and the environment. Therefore, monitoring DDTs in the environment is essential. Here, we developed a green, simple, and effective magnetic solid-phase extraction (MSPE) method coupled with gas chromatography [...] Read more.
As persistent organic pollutants, dichlorodiphenyltrichloroethanes (DDTs) and their metabolites pose considerable risks to human health and the environment. Therefore, monitoring DDTs in the environment is essential. Here, we developed a green, simple, and effective magnetic solid-phase extraction (MSPE) method coupled with gas chromatography tandem triple-quadrupole mass spectrometry to determine the DDT content of environmental water samples. A magnetic ionic liquid (IL) adsorbent was developed based on a modified magnetic multiwalled carbon nanotube/zeolitic imidazolate framework-8 (MM/ZIF-8/IL), synthesized by immobilizing the IL on the surface of MM/ZIF-8. We confirmed successful synthesis of MM/ZIF-8/IL by material characterization, and our results suggested that the MM/ZIF-8/IL had a high Brunauer–Emmett–Teller surface area (159.9 m2 g−1), good thermostability (<800 °C), and a high degree of superparamagnetism (52.9 emu g−1). Several experimental conditions affecting the MSPE efficiency were optimized. Under the best conditions, good detection linearity was achieved (0.5–500 µg L−1) with determination coefficients ranging from 0.9927 to 0.9971. The lower limits of detection (0.0016–0.0072 µg L−1) also had good precision, having an intraday relative standard deviation (RSD) ≤ 6.5% and an interday RSD ≤ 8.9%. Finally, we used the as-developed method to determine DDT levels in environmental water samples. Full article
(This article belongs to the Special Issue Advanced Analysis of Contaminants of Emerging Concern )
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12 pages, 1416 KiB  
Article
Modelling Contaminant Formation during Thermal Processing of Sea Buckthorn Purée
by Oana Emilia Constantin, Kristina Kukurová, Ľubomír Daško, Nicoleta Stănciuc, Zuzana Ciesarová, Constantin Croitoru and Gabriela Râpeanu
Molecules 2019, 24(8), 1571; https://doi.org/10.3390/molecules24081571 - 20 Apr 2019
Cited by 8 | Viewed by 2878
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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11 pages, 2612 KiB  
Article
Formation of Ethyl Carbamate during the Production Process of Cantonese Soy Sauce
by Kai Zhou, Lorenzo Siroli, Francesca Patrignani, Yuanming Sun, Rosalba Lanciotti and Zhenlin Xu
Molecules 2019, 24(8), 1474; https://doi.org/10.3390/molecules24081474 - 15 Apr 2019
Cited by 19 | Viewed by 4227
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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12 pages, 7846 KiB  
Article
Chromo-Fluorogenic Detection of Soman and Its Simulant by Thiourea-Based Rhodamine Probe
by Shengsong Li, Yongchao Zheng, Weiqiang Chen, Meiling Zheng, He Zheng, Zhe Zhang, Yan Cui, Jinyi Zhong and Chonglin Zhao
Molecules 2019, 24(5), 827; https://doi.org/10.3390/molecules24050827 - 26 Feb 2019
Cited by 13 | Viewed by 3659
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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Review

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26 pages, 339 KiB  
Review
What are the Main Sensor Methods for Quantifying Pesticides in Agricultural Activities? A Review
by Roy Zamora-Sequeira, Ricardo Starbird-Pérez, Oscar Rojas-Carillo and Seiling Vargas-Villalobos
Molecules 2019, 24(14), 2659; https://doi.org/10.3390/molecules24142659 - 23 Jul 2019
Cited by 56 | Viewed by 5432
Abstract
In recent years, there has been an increase in pesticide use to improve crop production due to the growth of agricultural activities. Consequently, various pesticides have been present in the environment for an extended period of time. This review presents a general description [...] Read more.
In recent years, there has been an increase in pesticide use to improve crop production due to the growth of agricultural activities. Consequently, various pesticides have been present in the environment for an extended period of time. This review presents a general description of recent advances in the development of methods for the quantification of pesticides used in agricultural activities. Current advances focus on improving sensitivity and selectivity through the use of nanomaterials in both sensor assemblies and new biosensors. In this study, we summarize the electrochemical, optical, nano-colorimetric, piezoelectric, chemo-luminescent and fluorescent techniques related to the determination of agricultural pesticides. A brief description of each method and its applications, detection limit, purpose—which is to efficiently determine pesticides—cost and precision are considered. The main crops that are assessed in this study are bananas, although other fruits and vegetables contaminated with pesticides are also mentioned. While many studies have assessed biosensors for the determination of pesticides, the research in this area needs to be expanded to allow for a balance between agricultural activities and environmental protection. Full article
(This article belongs to the Special Issue Advanced Analysis of Contaminants of Emerging Concern )
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