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Special Issue "Using Modern Bioanalytics and Chemometric Tools in Environmental and Diagnostic Applications"

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

Deadline for manuscript submissions: 29 February 2020.

Special Issue Editors

Prof. Dr. Jacek Namieśnik
E-Mail Website
Guest Editor
Department of Analytical Chemistry, Faculty of Chemistry, Gdańsk University of Technology, 80-233 Gdańsk Wrzeszcz, Gdańsk, Poland
Interests: analytical chemistry; analytics and monitoring; analysis of trace pollutants; quality control and quality assessment
Dr. Błażej Kudłak
E-Mail Website
Guest Editor
Department of Analytical Chemistry, Faculty of Chemistry, Gdańsk University of Technology, Gdańsk, Poland
Interests: ecotoxicology and biotesting; endocrine disrupting compounds; rapid tests development; environmetrics; trace organic and inorganic pollutants

Special Issue Information

Dear Colleagues,

Despite the growing consciousness of society, environmental contamination still seems to be underestimated by policy makers, entrepreneurs, and society itself. Scientists continue to learn how to better quantitatively and qualitatively determine the concentrations of the possible wide range of pollutants in different complex mixtures to ultimately assess the exposure of different organs/tissues/organisms to compounds belonging to different groups and to predict their impact on ecosystems and human beings. For this reason, we would like to invite you to contribute to this Special Issue of Molecules titled “Using Modern Bioanalytics and Chemometric Tools in Environmental and Diagnostic Applications” with your valuable unpublished research that can find a world-wide audience among readers of Molecules.

Prof. Dr. Jacek Namieśnik
Dr. Błażej Kudłak
Guest Editors

† We regret to inform that on 14 April 2019 prof. Jacek Namieśnik passed away suddenly due to heart problems. We will always remember him as an active tutor and supervisor, manager, and foremost, a scientist. He was author of over 800 papers in JCR-indexed journals, editor of over 20 scientific books, and supervisor of 69 PhD dissertations with an H index of 57 (according to Scopus). Despite this sad fact, we continue hard work on papers, books, and Special Issues, as we believe that would be his last recommendation for us and truehearted wish. We invite possible authors willing to prepare manuscripts for this Special Issue of Molecules to send them to the Editorial Board by the end of October 2019.

Dr. Błażej Kudłak
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 Biannual 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

  • bioanalytics
  • environmental analyses
  • chemometrics
  • diagnostics
  • holistic ecotoxicological approach

Published Papers (5 papers)

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Research

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Open AccessArticle
Influence of Storage Time and Temperature on the Toxicity, Endocrine Potential, and Migration of Epoxy Resin Precursors in Extracts of Food Packaging Materials
Molecules 2019, 24(23), 4396; https://doi.org/10.3390/molecules24234396 - 02 Dec 2019
Abstract
The aim of the present study was to establish a standard methodology for the extraction of epoxy resin precursors from several types of food packages (cans, multi-layered composite material, and cups) with selected simulation media (distilled water, 5% ethanol, 3% dimethyl sulfoxide, 5% [...] Read more.
The aim of the present study was to establish a standard methodology for the extraction of epoxy resin precursors from several types of food packages (cans, multi-layered composite material, and cups) with selected simulation media (distilled water, 5% ethanol, 3% dimethyl sulfoxide, 5% acetic acid, artificial saliva) at different extraction times and temperatures (factors). Biological analyses were conducted to determine the acute toxicity levels of the extracts (with Vibrio fischeri bacteria) and their endocrine potential (with Saccharomyces cerevisiae yeasts). In parallel, liquid chromatography-tandem mass spectrometry was performed to determine levels of bisphenol A diglycidyl ether (BADGE), bisphenol F diglycidyl ether (mixture of isomers, BFDGE), ring novolac glycidyl ether (3-ring NOGE), and their derivatives. The variation induced by the different experimental factors was statistically evaluated with analysis of variance simultaneous component analysis (ASCA). Our findings demonstrate the value of using a holistic approach to best partition the effects contributing to the end points of these assessments, and offer further guidance for adopting such a methodology, thus being a broadly useful reference for understanding the phenomena related to the impacts of food packaging materials on quality for long- and short-term storage, while offering a general method for analysis. Full article
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Open AccessArticle
Assessment of the Bulgarian Wastewater Treatment Plants’ Impact on the Receiving Water Bodies
Molecules 2019, 24(12), 2274; https://doi.org/10.3390/molecules24122274 - 18 Jun 2019
Abstract
Deterioration of water quality is a major problem world widely according to many international non-governmental organizations (NGO). As one of the European Union (EU) countries, Bulgaria is also obliged by EU legislation to maintain best practices in assessing surface water quality and the [...] Read more.
Deterioration of water quality is a major problem world widely according to many international non-governmental organizations (NGO). As one of the European Union (EU) countries, Bulgaria is also obliged by EU legislation to maintain best practices in assessing surface water quality and the efficiency of wastewater treatment processes. For these reasons studies were undertaken to utilize ecotoxicological (Microtox®, Phytotoxkit FTM, Daphtoxkit FTM), instrumental (to determine pH, electrical conductivity (EC), chemical oxygen demand, total suspended solids (TSS), total nitrogen (N) and phosphorus (P), chlorides, sulphates, Cr, Co, Cu, Cd, Ba, V, Mn, Fe, Ni, Zn, Se, Pb), as well as advanced chemometric methods (partial least squares–discriminant analysis (PLS-DA)) in data evaluation to comprehensively assess wastewater treatment plants’ (WWTPs) effluents and surface waters quality around 21 major Bulgarian cities. The PLS-DA classification model for the physicochemical parameters gave excellent discrimination between WWTP effluents and surface waters with 93.65% correct predictions (with significant contribution of EC, TSS, P, N, Cl, Fe, Zn, and Se). The classification model based on ecotoxicological data identifies the plant test endpoints as having a greater impact on the classification model efficiency than bacterial, or crustaceans’ endpoints studied. Full article
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Open AccessArticle
Chemometric Assessment of Soil Pollution and Pollution Source Apportionment for an Industrially Impacted Region around a Non-Ferrous Metal Smelter in Bulgaria
Molecules 2019, 24(5), 883; https://doi.org/10.3390/molecules24050883 - 02 Mar 2019
Abstract
The present study deals with the assessment of pollution caused by a large industrial facility using multivariate statistical methods. The primary goal is to classify specific pollution sources and to apportion their involvement in the formation of the total concentration of the chemical [...] Read more.
The present study deals with the assessment of pollution caused by a large industrial facility using multivariate statistical methods. The primary goal is to classify specific pollution sources and to apportion their involvement in the formation of the total concentration of the chemical parameters being monitored. This aim is accomplished by intelligent data analysis based on cluster analysis, principal component analysis and principal component regression analysis. Five latent factors are found to explain over 80% of the total variance of the system being conditionally named “organic”, “non-ferrous smelter”, “acidic”, “secondary anthropogenic contribution” and “natural” factor. The apportionment models designate the contribution of the identified sources quantitatively and help in the interpretation of risk assessment and management actions. Since the study takes into account pollution uptake from soil to a cabbage plant, the data interpretation could help in introducing biomonitoring aspects of the assessment. The chemometric expertise helps in revealing hidden relationships between the objects and the variables involved to achieve a better understanding of specific pollution events in the soil of a severely industrially impacted region. Full article
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Open AccessArticle
Binary Mixtures of Selected Bisphenols in the Environment: Their Toxicity in Relationship to Individual Constituents
Molecules 2018, 23(12), 3226; https://doi.org/10.3390/molecules23123226 - 06 Dec 2018
Cited by 2
Abstract
Bisphenol A (BPA) is one of the most popular and commonly used plasticizer in the industry. Over the past decade, new chemicals that belong to the bisphenol group have increasingly been used in industrial applications as alternatives to BPA. Nevertheless, information on the [...] Read more.
Bisphenol A (BPA) is one of the most popular and commonly used plasticizer in the industry. Over the past decade, new chemicals that belong to the bisphenol group have increasingly been used in industrial applications as alternatives to BPA. Nevertheless, information on the combined effects of bisphenol (BP) analogues is insufficient. Therefore, our current study aimed to find the biological response modulations induced by the binary mixtures of BP compounds. We determined the toxicity levels in Microtox and XenoScreen YES/YAS assays for several BP analogs alone, and for their binary mixtures. The results obtained constituted the database for chemometric intelligent data analysis to evaluate the possible interactions occurring in the mixtures. Several chemometric/biophysical models have been used (concentration addition—CA, independent action—IA and polynomial regression calculations) to realize this aim. The best fitting was found for the IA model and even in this description strong evidence for synergistic behaviors (modes of action) of some bisphenol analogue mixtures was demonstrated. Bisphenols A, S, F and FL were proven to be of significant endocrine threat (with respect to XenoScreen YES/YAS assay); thus, their presence in mixtures (including presence in tissues of living organisms) should be most strictly monitored and reported. Full article
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Review

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Open AccessReview
Contributions and Challenges of High Throughput qPCR for Determining Antimicrobial Resistance in the Environment: A Critical Review
Molecules 2019, 24(1), 163; https://doi.org/10.3390/molecules24010163 - 03 Jan 2019
Cited by 6
Abstract
Expansion in whole genome sequencing and subsequent increase in antibiotic resistance targets have paved the way of high throughput qPCR (HT-qPCR) for analyzing hundreds of antimicrobial resistance genes (ARGs) in a single run. A meta-analysis of 51 selected studies is performed to evaluate [...] Read more.
Expansion in whole genome sequencing and subsequent increase in antibiotic resistance targets have paved the way of high throughput qPCR (HT-qPCR) for analyzing hundreds of antimicrobial resistance genes (ARGs) in a single run. A meta-analysis of 51 selected studies is performed to evaluate ARGs abundance trends over the last 7 years. WaferGenTM SmartChip is found to be the most widely used HT-qPCR platform among others for evaluating ARGs. Up till now around 1000 environmental samples (excluding biological replicates) from different parts of the world have been analyzed on HT-qPCR. Calculated detection frequency and normalized ARGs abundance (ARGs/16S rRNA gene) reported in gut microbiome studies have shown a trend of low ARGs as compared to other environmental matrices. Disparities in the HT-qPCR data analysis which are causing difficulties to researchers in precise interpretation of results have been highlighted and a possible way forward for resolving them is also suggested. The potential of other amplification technologies and point of care or field deployable devices for analyzing ARGs have also been discussed in the review. Our review has focused on updated information regarding the role, current status and future perspectives of HT-qPCR in the field of antimicrobial resistance. Full article
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