94 results on '"Marek Tobiszewski"'
Search Results
2. How to evaluate methods used in chemical laboratories in terms of the total chemical risk? – a ChlorTox Scale
- Author
-
Paweł Mateusz Nowak, Renata Wietecha-Posłuszny, Justyna Płotka-Wasylka, and Marek Tobiszewski
- Subjects
Chloroform ,ChlorTox Scale ,Green Chemistry ,Green Analytical Chemistry ,Risk assessment ,Sample preparation ,Analytical chemistry ,QD71-142 - Abstract
Reliable assessment of the health and environmental risk associated with the use of chemicals is critical to objectively evaluate the greenness and whiteness of an analytical method. An objective and useful way of risk assessment should take into account all the relevant properties of used substances, their actual amounts needed for application of the method, and quantify the assessment result using a standardized unit. This article presents a relatively simple approach to meet the above requirements, which we call the Chloroform-oriented Toxicity Estimation Scale (ChlorTox Scale). The risk posed by a given substance is expressed by the ChlorTox value, and the sum of the values obtained for all reagents is the overall risk posed by the method (Total ChlorTox). The ChlorTox value is calculated by comparing the hazards for the substance being assessed to the standard – chloroform, using the approach selected by the user as optimal, taking into account the amount of a pure substance needed for single analysis. The ChlorTox unit is the equivalent mass of chloroform which reflects the estimated degree of predicted risk. This tool can be used for risk assessment in laboratories of various profiles.
- Published
- 2023
- Full Text
- View/download PDF
3. Corrigendum to: A Tutorial on AGREEprep an Analytical Greenness Metric for Sample Preparation
- Author
-
Francisco Pena-Pereira, Marek Tobiszewski, Wojciech Wojnowski, and Elefteria Psillakis
- Subjects
Chemistry ,QD1-999 - Published
- 2022
- Full Text
- View/download PDF
4. A Tutorial on AGREEprep an Analytical Greenness Metric for Sample Preparation
- Author
-
Francisco Pena-Pereira, Marek Tobiszewski, Wojciech Wojnowski, and Elefteria Psillakis
- Subjects
Green analytical chemistry ,Green sample preparation ,Green metrics ,Sample preparation ,Sustainability assessment ,Chemistry ,QD1-999 - Abstract
Sample preparation is a key step in the analytical procedure and a critical component for achieving analytical greenness. AGREEprep is the first metric intended for evaluating the environmental impact of sample preparation methods. The approach consists of ten steps of assessment that correspond to the ten principles of green sample preparation and uses a user-friendly open-source software to calculate and visualize the results. Despite the simplicity of the approach, some assessment steps can be difficult to evaluate in a straightforward manner, either because essential data are not readily available or, in some cases, are poorly defined.This walkthrough tutorial on AGREEprep serves as an in depth yet simple guide for new users that elucidates all aspects of the greenness assessment. It will prove beneficial to analysts wishing to assess the greenness of their own developed procedures or those found in the literature, which can be challenging taken that critical data is often not reported. Particular attention is given to the calculations involved in estimating the amount of waste generated and energetic requirements. The impact of weight values of criteria on the overall final score are discussed and using two hypothetical scenarios is related to the analytical goals of operators. Finally, several assessment examples are given in the supplementary information to familiarize assessors with all assessment steps.
- Published
- 2022
- Full Text
- View/download PDF
5. Multicriteria Decision Analysis and Grouping of Analytical Procedures for Phthalates Determination in Disposable Baby Diapers
- Author
-
Magdalena Fabjanowicz, Justyna Płotka-Wasylka, and Marek Tobiszewski
- Subjects
disposable baby diapers ,phthalate ,analytical procedures ,TOPSIS ,MCDA ,green analytical chemistry ,Organic chemistry ,QD241-441 - Abstract
This study presents the application of one of the tools from the multicriteria decision analysis set (MCDA), the Technique for Order Preference by Similarity to Ideal Solution (TOPSIS). Selected green analytical chemistry metrics were used to rank analytical procedures for the phthalate determination in disposable baby diapers. Nine analytical procedures were assessed in order to find one that has the lowest environmental impact and the best analytical figures of merit. Nine different criteria, where weighting was based on the experts’ evaluation, were used in the procedures’ assessment. With the use of TOPSIS, an easy and straightforward technique, selection of the most appropriate procedure was made.
- Published
- 2021
- Full Text
- View/download PDF
6. Searching for Solvents with an Increased Carbon Dioxide Solubility Using Multivariate Statistics
- Author
-
Marta Bystrzanowska, Marek Tobiszewski, Francisco Pena-Pereira, and Vasil Simeonov
- Subjects
ionic liquids ,co2 solubility ,multivariate statistics ,green solvents ,cluster analysis ,Organic chemistry ,QD241-441 - Abstract
Ionic liquids (ILs) are used in various fields of chemistry. One of them is CO2 capture, a process that is quite well described. The solubility of CO2 in ILs can be used as a model to investigate gas absorption processes. The aim is to find the relationships between the solubility of CO2 and other variables—physicochemical properties and parameters related to greenness. In this study, 12 variables are used to describe a dataset consisting of 26 ILs and 16 molecular solvents. We used a cluster analysis, a principal component analysis, and a K-means hierarchical clustering to find the patterns in the dataset and the discriminators between the clusters of compounds. The results showed that ILs and molecular solvents form two well-separated groups, and the variables were well separated into greenness-related and physicochemical properties. Such patterns suggest that the modeling of greenness properties and of the solubility of CO2 on physicochemical properties can be difficult.
- Published
- 2020
- Full Text
- View/download PDF
7. Green Chemistry Metrics with Special Reference to Green Analytical Chemistry
- Author
-
Marek Tobiszewski, Mariusz Marć, Agnieszka Gałuszka, and Jacek Namieśnik
- Subjects
green chemistry metrics ,green analytical chemistry metrics ,environmental impact ,E-Factor ,atom economy ,eco-footprint ,Eco-Scale ,EATOS ,Organic chemistry ,QD241-441 - Abstract
The concept of green chemistry is widely recognized in chemical laboratories. To properly measure an environmental impact of chemical processes, dedicated assessment tools are required. This paper summarizes the current state of knowledge in the field of development of green chemistry and green analytical chemistry metrics. The diverse methods used for evaluation of the greenness of organic synthesis, such as eco-footprint, E-Factor, EATOS, and Eco-Scale are described. Both the well-established and recently developed green analytical chemistry metrics, including NEMI labeling and analytical Eco-scale, are presented. Additionally, this paper focuses on the possibility of the use of multivariate statistics in evaluation of environmental impact of analytical procedures. All the above metrics are compared and discussed in terms of their advantages and disadvantages. The current needs and future perspectives in green chemistry metrics are also discussed.
- Published
- 2015
- Full Text
- View/download PDF
8. Expectation-Maximization Model for Substitution of Missing Values Characterizing Greenness of Organic Solvents
- Author
-
Gabriela Łuczyńska, Francisco Pena-Pereira, Marek Tobiszewski, and Jacek Namieśnik
- Subjects
E-M algorithm ,green analytical chemistry ,missing data prediction ,solvents ,sustainability assessment ,Organic chemistry ,QD241-441 - Abstract
Organic solvents are ubiquitous in chemical laboratories and the Green Chemistry trend forces their detailed assessments in terms of greenness. Unfortunately, some of them are not fully characterized, especially in terms of toxicological endpoints that are time consuming and expensive to be determined. Missing values in the datasets are serious obstacles, as they prevent the full greenness characterization of chemicals. A featured method to deal with this problem is the application of Expectation-Maximization algorithm. In this study, the dataset consists of 155 solvents that are characterized by 13 variables is treated with Expectation-Maximization algorithm to predict missing data for toxicological endpoints, bioavailability, and biodegradability data. The approach may be particularly useful for substitution of missing values of environmental, health, and safety parameters of new solvents. The presented approach has high potential to deal with missing values, while assessing environmental, health, and safety parameters of other chemicals.
- Published
- 2018
- Full Text
- View/download PDF
9. Novel Desorber for Online Drilling Mud Gas Logging
- Author
-
Marcin Lackowski, Marek Tobiszewski, and Jacek Namieśnik
- Subjects
Analytical chemistry ,QD71-142 - Abstract
This work presents the construction solution and experimental results of a novel desorber for online drilling mud gas logging. The traditional desorbers use mechanical mixing of the liquid to stimulate transfer of hydrocarbons to the gaseous phase that is further analyzed. The presented approach is based on transfer of hydrocarbons from the liquid to the gas bubbles flowing through it and further gas analysis. The desorber was checked for gas logging from four different drilling muds collected from Polish boreholes. The results of optimization studies are also presented in this study. The comparison of the novel desorber with a commercial one reveals strong advantages of the novel one. It is characterized by much better hydrocarbons recovery efficiency and allows reaching lower limits of detection of the whole analytical system. The presented desorber seems to be very attractive alternative over widely used mechanical desorbers.
- Published
- 2016
- Full Text
- View/download PDF
10. Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air.
- Author
-
Miroslava Nedyalkova, Sergio Madurga, Marek Tobiszewski, and Vasil Simeonov
- Published
- 2019
- Full Text
- View/download PDF
11. Assessment and Optimization of Air Monitoring Network for Smart Cities with Multicriteria Decision Analysis.
- Author
-
Aleksander Orlowski, Mariusz Marc, Jacek Namiesnik, and Marek Tobiszewski
- Published
- 2017
- Full Text
- View/download PDF
12. Simple analytical method for total biogenic amines content determination in wine using a smartphone
- Author
-
Kaja Kalinowska, Wojciech Wojnowski, and Marek Tobiszewski
- Subjects
General Chemical Engineering ,General Engineering ,Analytical Chemistry - Abstract
In this study, a simple, fast, and green smartphone-based procedure for total biogenic amines content determination in wine was developed.
- Published
- 2023
- Full Text
- View/download PDF
13. Analytical applications of smartphones for agricultural soil analysis
- Author
-
Marek Tobiszewski and Christina Vakh
- Subjects
Biochemistry ,Analytical Chemistry - Abstract
Soil is one of the most important farming resources. Appropriate managing of its quality promotes productive and sustainable agriculture. The valuable farm practice in soil quality managing is based on regular soil analysis with the aim of determining the exact amount of nutrients or other chemical, physical, and biological soil properties. Soil analysis usually requires sample collection at the desired sampling depth followed by sample delivery to chemical laboratories. However, laboratory analyses are resource-intensive and costly, and require a lot of time, effort, and equipment. A low-cost, fast, and effective alternative for soil quality control is the application of smartphones to perform chemical analyses directly in the field or on the farm. In this paper, an overview of recent developments on smartphone-based methodologies for agricultural purposes and portable evaluation of soil quality and its properties is presented. The discussion focuses on recent applications of smartphone-based devices for the determination of basic soil parameters, content of organic matter, mineral fertilizers, and organic or inorganic pollutants. Obvious advantages of using smartphones, such as convenience and simplicity of use, and the main shortcomings, such as relatively poor precision of the results obtained, are also discussed. The general trend shows the huge interest from researchers to move the technology into the field with the aim of providing cost-effective and rapid soil analysis. This paper can broaden the understanding of using smartphones for chemical analysis of soil samples, as it is a relatively new area and is expected to be developed rapidly. Graphical Abstract
- Published
- 2023
- Full Text
- View/download PDF
14. Fuzzy Divisive Hierarchical Clustering of Solvents According to Their Experimentally and Theoretically Predicted Descriptors.
- Author
-
Miroslava Nedyalkova, Costel Sârbu, Marek Tobiszewski, and Vasil Simeonov
- Published
- 2020
- Full Text
- View/download PDF
15. Chemometrics for Selection, Prediction, and Classification of Sustainable Solutions for Green Chemistry - A Review.
- Author
-
Marta Bystrzanowska and Marek Tobiszewski
- Published
- 2020
- Full Text
- View/download PDF
16. Smartphones as tools for equitable food quality assessment
- Author
-
Wojciech Wojnowski, Kaja Kalinowska, and Marek Tobiszewski
- Subjects
Scope (project management) ,business.industry ,Computer science ,Interface (Java) ,010401 analytical chemistry ,Cloud computing ,02 engineering and technology ,021001 nanoscience & nanotechnology ,01 natural sciences ,Data science ,0104 chemical sciences ,Sustainability ,Sustainable agriculture ,Key (cryptography) ,Food processing ,0210 nano-technology ,business ,Food quality ,Food Science ,Biotechnology - Abstract
Background The ubiquity of smartphones equipped with an array of sophisticated sensors, ample processing power, network connectivity and a convenient interface makes them a promising tool for non-invasive, portable food quality assessment. Combined with the recent developments in the areas of IoT, deep learning algorithms and cloud computing, they present an opportunity for advancing wide-spread, equitable and sustainable food analytical methods that could be used at each stage of food production and distribution. Scope and approach This review focuses on the use of smartphone-based methods in food quality assessment and monitoring, with particular emphasis on the ones in which smartphones are used as detectors, either on their own or in conjunction with more elaborate analytical procedures. The role of these methods in common and equitable access to information on food quality is discussed, together with a consideration of the sustainability and greenness of the smartphone-based methods and a perspective on the methodology and validation. Additionally, recent developments and future research trends are also outlined. Key findings and conclusions Despite the persisting limitations resulting from technical difficulties and the complexity of the food sample matrix, smartphones will play an increasingly important role in popularizing the access to food analytical techniques for on-site analysis as a readily available and convenient integrated interface, connectivity and remote sensing platforms.
- Published
- 2021
- Full Text
- View/download PDF
17. Organic syntheses greenness assessment with multicriteria decision analysis
- Author
-
Witold Przychodzeń, Maria J. Milewska, Marta Bystrzanowska, and Marek Tobiszewski
- Subjects
Multicriteria decision ,Computer science ,computer.software_genre ,Pollution ,chemistry.chemical_compound ,Data point ,chemistry ,Atom economy ,Environmental Chemistry ,Organic synthesis ,Data mining ,Metric (unit) ,Metric system ,computer - Abstract
Green chemistry requires a metrics system that is comprehensive by the criteria included and simple in the application at the same time. We propose the application of multicriteria decision analysis for comparative greenness assessment of organic synthesis procedures. The assessment is based on 9 criteria (the reagent, reaction efficiency, atom economy, temperature, pressure, synthesis time, solvent, catalyst and reactant) for which data points are easily extractable from synthesis protocols. The criteria are given weights by two experts to differentiate their relative importance. Two datasets are created, one of the procedures for benzoic acid synthesis, the second one of procedures for γ-valerolactone synthesis. In both cases, the greenest procedure is identified and the remaining ones are ranked according to their greenness. The proposed assessment procedure incorporates more assessment criteria than product/waster ratio mass-based metric and is much less tedious than the application of life-cycle assessment.
- Published
- 2021
- Full Text
- View/download PDF
18. AGREE—Analytical GREEnness Metric Approach and Software
- Author
-
Wojciech Wojnowski, Marek Tobiszewski, and Francisco Pena-Pereira
- Subjects
Chemistry ,business.industry ,Scale (chemistry) ,Green Chemistry Technology ,computer.software_genre ,Energy requirement ,Automation ,Pictogram ,Article ,Analytical Chemistry ,law.invention ,Software ,Calculator ,law ,SAFER ,Humans ,Metric (unit) ,Data mining ,business ,computer - Abstract
Green analytical chemistry focuses on making analytical procedures more environmentally benign and safer to humans. The amounts and toxicity of reagents, generated waste, energy requirements, the number of procedural steps, miniaturization, and automation are just a few of the multitude of criteria considered when assessing an analytical methodology's greenness. The use of greenness assessment criteria requires dedicated tools. We propose the Analytical GREEnness calculator, a comprehensive, flexible, and straightforward assessment approach that provides an easily interpretable and informative result. The assessment criteria are taken from the 12 principles of green analytical chemistry (SIGNIFICANCE) and are transformed into a unified 0-1 scale. The final score is calculated based on the SIGNIFICANCE principles. The result is a pictogram indicating the final score, performance of the analytical procedure in each criterion, and weights assigned by the user. Freely available software makes the assessment procedure straightforward. It is open-source and downloadable from https://mostwiedzy.pl/AGREE.
- Published
- 2020
19. Green, simple analytical method for total biogenic amines content determination in wine using spectrophotometry
- Author
-
Kaja Kalinowska and Marek Tobiszewski
- Subjects
Biogenic Amines ,Spectrophotometry ,Wine ,General Medicine ,Chromatography, High Pressure Liquid ,Food Science ,Analytical Chemistry - Abstract
A simple, green and equitable procedure for total biogenic amines (BAs) content determination was developed. The scientific novelty lies in the use of commercially available S0378 dye, the reaction of which with BAs results in a colour change of the solution. Sample preparation and analysis were simplified to make the method suitable for routine analyses even in resource-scarce settings. The optimization of the method was carried out using a Box-Behnken response surface design. The developed method has satisfactory figures of merit for putrescine equivalent determination with R
- Published
- 2022
20. Multicriteria Decision Analysis and Grouping of Analytical Procedures for Phthalates Determination in Disposable Baby Diapers
- Author
-
Justyna Płotka-Wasylka, Marek Tobiszewski, and Magdalena Fabjanowicz
- Subjects
Multicriteria decision ,phthalate ,Operations research ,Computer science ,Phthalic Acids ,Pharmaceutical Science ,Organic chemistry ,environmental impact ,Article ,Analytical Chemistry ,Clothing ,Decision Support Techniques ,Set (abstract data type) ,QD241-441 ,analytical procedures ,Drug Discovery ,Humans ,Physical and Theoretical Chemistry ,TOPSIS ,disposable baby diapers ,Rank (computer programming) ,Infant ,Ideal solution ,MCDA ,Multiple-criteria decision analysis ,Weighting ,green analytical chemistry ,Chemistry (miscellaneous) ,Molecular Medicine ,Analytical procedures - Abstract
This study presents the application of one of the tools from the multicriteria decision analysis set (MCDA), the Technique for Order Preference by Similarity to Ideal Solution (TOPSIS). Selected green analytical chemistry metrics were used to rank analytical procedures for the phthalate determination in disposable baby diapers. Nine analytical procedures were assessed in order to find one that has the lowest environmental impact and the best analytical figures of merit. Nine different criteria, where weighting was based on the experts’ evaluation, were used in the procedures’ assessment. With the use of TOPSIS, an easy and straightforward technique, selection of the most appropriate procedure was made.
- Published
- 2021
21. Monetary values estimates of solvent emissions
- Author
-
Marta Bystrzanowska and Marek Tobiszewski
- Subjects
Solvent ,Mean value ,Analytical chemistry ,Environmental Chemistry ,Environmental science ,Distribution model ,Fraction (chemistry) ,Pollution - Abstract
The impact values for the environmental emissions of 52 solvents are estimated and expressed in monetary units. The impact values of solvents present in the air are calculated on the basis of 13 impact indicators and additional 2 impact indicators for solvents present in water. These impact values are weighed with the results obtained with a multi-compartment distribution model, allowing the calculation of the fraction of solvent emitted to the environment present in each of the compartments. The results show that the impact values of solvent emissions are in the range of 0.7–1179.51 $ L−1, with a mean value of 20.69 $ L−1, expressed in USD2019. These impacts are considerably lower for short-chain aliphatic hydrocarbons, alcohols, ethers, aldehydes, ketones, and esters. High impact values are obtained for long-chain aliphatic hydrocarbons, aromatic hydrocarbons, terpenes, and an extremely high value for carbon tetrachloride. Monetary values calculated to assess the solvent emission impact have the advantage that they are quantitative and easily applicable.
- Published
- 2020
- Full Text
- View/download PDF
22. Ranking of Heterogeneous Catalysts Metals by Their Greenness
- Author
-
Petko St. Petkov, Marta Bystrzanowska, and Marek Tobiszewski
- Subjects
Green chemistry ,Renewable Energy, Sustainability and the Environment ,General Chemical Engineering ,02 engineering and technology ,General Chemistry ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,0104 chemical sciences ,Catalysis ,Ranking ,Environmental Chemistry ,Environmental science ,Biochemical engineering ,0210 nano-technology - Abstract
Catalysis is a very important process in industry and laboratory practices, especially from the point of green chemistry principles. However, the eco-friendly character of heterogeneous catalysts c...
- Published
- 2019
- Full Text
- View/download PDF
23. Green and equitable analytical chemistry
- Author
-
Renata Marcinkowska, Jacek Namieśnik, and Marek Tobiszewski
- Subjects
Computer science ,Process Chemistry and Technology ,Analytical chemistry ,Analytical Chemistry (journal) ,010501 environmental sciences ,Management, Monitoring, Policy and Law ,01 natural sciences ,Catalysis ,010406 physical chemistry ,0104 chemical sciences ,Reduction (complexity) ,Espresso ,Chemistry (miscellaneous) ,Analytical procedures ,Waste Management and Disposal ,0105 earth and related environmental sciences ,Social equality - Abstract
Green analytical chemistry introduces the ideas of reduction of analytical activities impact on the environment. However, to be more sustainable, analytical chemistry should include social aspects in greater manner. In this light ‘equitable’ analytical procedures, which are easily available in terms of price and applicability by everyday user, are developed. These positive trends are observed as many procedures, based on commonly used for nonanalytical purpose devices, are developed. Some examples of methods based on smartphones, scanners, 3D printers, or espresso machines are presented herein. With this contribution, we want to stress that green analytical chemistry is not tantamount to sustainable analytical chemistry as it does not include social equity factors.
- Published
- 2019
- Full Text
- View/download PDF
24. Multi-objective optimization of microextraction procedures
- Author
-
Marta Bystrzanowska and Marek Tobiszewski
- Subjects
Mathematical optimization ,Process (engineering) ,Computer science ,010401 analytical chemistry ,Process time ,01 natural sciences ,Multi-objective optimization ,Spectroscopy ,0104 chemical sciences ,Analytical Chemistry ,Decision analysis - Abstract
Optimization of extraction process requires finding acceptable conditions for many analytes and good performance in terms of process time or solvent consumption. These optimization criteria are often contradictory to each other, the performance of the system in given conditions is good for some criteria but poor for others. Therefore, such problems require special assessment tools that allow to combine these contradictory criteria into single score to find “the golden mean”. This contribution summarizes the examples of approaches that are used for multi-objective optimization. Derringer's desirability functions are used for large variety of microextraction techniques optimizations. Finding Pareto-optimal solutions allows to easily separate conditions that are definitely not acceptable. Alternative solution is application of multi-criteria decision analysis for microextraction processes optimization.
- Published
- 2019
- Full Text
- View/download PDF
25. Analytical chemistry with biosolvents
- Author
-
Marek Tobiszewski
- Subjects
Renewable resources ,Biobased solvents ,Green analytical chemistry ,Chemistry ,010401 analytical chemistry ,Analytical chemistry ,Green Chemistry Technology ,Extraction ,02 engineering and technology ,Biobased economy ,021001 nanoscience & nanotechnology ,Biorefinery ,01 natural sciences ,Biochemistry ,Chemistry Techniques, Analytical ,0104 chemical sciences ,Analytical Chemistry ,Aquatic organisms ,Solvents ,Trends ,0210 nano-technology - Abstract
One of the current trends in green analytical chemistry is the introduction of green solvents, some of which are biobased. At the same time, the development of the biorefinery concept has allowed more biochemicals to be obtained with increased efficiency and from a wider range of feedstocks. The first examples of the use of biosolvents in analytical applications included extractions performed with alcohols, esters, and terpenes. However, many more applications of biosolvents in extractions of bioactive compounds from various plant materials have also been reported, which hints at a wider range of potential analytical applications of biosolvents. It should also be noted that the biobased solvents applied in analytical chemistry are not always green, as some of them are toxic towards aquatic organisms. Graphical abstract.
- Published
- 2019
- Full Text
- View/download PDF
26. Selection of derivatisation agents for chlorophenols determination with multicriteria decision analysis
- Author
-
Renata Marcinkowska, Marta Bystrzanowska, Marek Tobiszewski, and Francisco Pena-Pereira
- Subjects
Multicriteria decision ,Chromatography ,010401 analytical chemistry ,02 engineering and technology ,BSTFA ,021001 nanoscience & nanotechnology ,01 natural sciences ,0104 chemical sciences ,Analytical Chemistry ,chemistry.chemical_compound ,Chromatographic separation ,chemistry ,0210 nano-technology ,Spectroscopy ,Selection (genetic algorithm) - Abstract
The paper shows very systematic method of selection of derivatisation agents for a given group of analytes. In this study 8 derivatisation agents are assessed for their capability to derivatise 8 chlorophenols. Multicriteria decision analysis is used to combine many objectives of derivatisation agents selection into single, easy to be interpreted numerical value. Three basic analyses were performed to obtain rankings with the aims to assess derivatisation reaction, chromatographic separation of derivatised analytes and greenness of derivatisation agents. The first assessment showed acetic anhydride to be the most favourable alternative, the second one indicated N,O‑bis(trimethylsilyl)trifluoroacetamide (BSTFA) - chlorotrimethylsilane (TMCS) mixture to give the best separation and the third proved heptafluorobutyrylimidazole (HFBI) to be the greenest agent. Fourth, comprehensive assessment showed BSTFA:TMCS to have the best total performance. Multicriteria decision analysis can be successfully applied in analytical procedure multi-objective optimisation, at the stage of derivatisation agent selection.
- Published
- 2019
- Full Text
- View/download PDF
27. Agreeprep – Analytical Greenness Metric for Sample Preparation
- Author
-
Wojciech Wojnowski, Marek Tobiszewski, Francisco Pena-Pereira, and Elefteria Psillakis
- Subjects
History ,Polymers and Plastics ,Business and International Management ,Spectroscopy ,Industrial and Manufacturing Engineering ,Analytical Chemistry - Published
- 2021
- Full Text
- View/download PDF
28. Fuzzy Divisive Hierarchical Clustering of Solvents According to Their Experimentally and Theoretically Predicted Descriptors
- Author
-
Vasil Simeonov, Costel Sarbu, Miroslava Nedyalkova, and Marek Tobiszewski
- Subjects
fuzzy hierarchical clustering ,Fuzzy clustering ,Physics and Astronomy (miscellaneous) ,fuzzy associative-clustering ,General Mathematics ,010402 general chemistry ,01 natural sciences ,Fuzzy logic ,Chemometrics ,physicochemical descriptors ,Similarity (network science) ,Molecular descriptor ,Computer Science (miscellaneous) ,Cluster analysis ,Mathematics ,business.industry ,lcsh:Mathematics ,010401 analytical chemistry ,Pattern recognition ,lcsh:QA1-939 ,0104 chemical sciences ,Hierarchical clustering ,solvents ,Chemistry (miscellaneous) ,Outlier ,Artificial intelligence ,business - Abstract
The present study describes a simple procedure to separate into patterns of similarity a large group of solvents, 259 in total, presented by 15 specific descriptors (experimentally found and theoretically predicted physicochemical parameters). Solvent data is usually characterized by its high variability, different molecular symmetry, and spatial orientation. Methods of chemometrics can usefully be used to extract and explore accurately the information contained in such data. In this order, advanced fuzzy divisive hierarchical-clustering methods were efficiently applied in the present study of a large group of solvents using specific descriptors. The fuzzy divisive hierarchical associative-clustering algorithm provides not only a fuzzy partition of the solvents investigated, but also a fuzzy partition of descriptors considered. In this way, it is possible to identify the most specific descriptors (in terms of higher, smallest, or intermediate values) to each fuzzy partition (group) of solvents. Additionally, the partitioning performed could be interpreted with respect to the molecular symmetry. The chemometric approach used for this goal is fuzzy c-means method being a semi-supervised clustering procedure. The advantage of such a clustering process is the opportunity to achieve separation of the solvents into similarity patterns with a certain degree of membership of each solvent to a certain pattern, as well as to consider possible membership of the same object (solvent) in another cluster. Partitioning based on a hybrid approach of the theoretical molecular descriptors and experimentally obtained ones permits a more straightforward separation into groups of similarity and acceptable interpretation. It was shown that an important link between objects&rsquo, groups of similarity and similarity groups of variables is achieved. Ten classes of solvents are interpreted depending on their specific descriptors, as one of the classes includes a single object and could be interpreted as an outlier. Setting the results of this research into broader perspective, it has been shown that the fuzzy clustering approach provides a useful tool for partitioning by the variables related to the main physicochemical properties of the solvents. It gets possible to offer a simple guide for solvents recognition based on theoretically calculated or experimentally found descriptors related to the physicochemical properties of the solvents.
- Published
- 2020
29. Emissions and toxic units of solvent, monomer and additive residues released to gaseous phase from latex balloons
- Author
-
Mariusz Marć, Marek Tobiszewski, and Stefan Tsakovski
- Subjects
Air Pollutants ,Volatile Organic Compounds ,Resolution (mass spectrometry) ,Latex ,Inorganic chemistry ,010501 environmental sciences ,01 natural sciences ,Biochemistry ,Hexanal ,Solvent ,03 medical and health sciences ,chemistry.chemical_compound ,0302 clinical medicine ,Monomer ,Adsorption ,chemistry ,Solvents ,030212 general & internal medicine ,Gases ,Fourier transform infrared spectroscopy ,Benzene ,Isoprene ,0105 earth and related environmental sciences ,General Environmental Science - Abstract
This study describes the VOCs emissions from commercially available latex balloons. Nine compounds are determined to be emitted from 13 types of balloons of different colors and imprints in 30 and 60 °C. The average values of total volatile organic compounds (TVOCs) emitted from studied samples ranged from 0.054 up to 7.18 μg g−1 and from 0.27 up to 36.11 μg g−1 for 30 °C and 60 °C, respectively. The dataset is treated with principal component analysis (PCA) and multiple curve resolution (MCR) to characterize its internal patterns. Here two groups on compounds are recognized – the first one related to balloon material, the second one being emissions of compounds previously adsorbed on balloon material. The toxicity assessment of MCR modeled balloons’ emissions was performed by toxic unit (TU) approach. The obtained TUs were summed to give toxicity emission assessment. The incorporation of TUs allows to identify the balloons with the most toxic emissions– imprinted ones in 60 °C. The compounds of the highest TUs are hexanal and benzene. FTIR analysis shows that all balloons are made of the same polymeric material – isoprene, so all differences in emissions are related to different additives like pigments, imprints or these responsible for opaqueness. Analyzing the obtained research results it was noticed that latex balloons might be considered as an important source of emission of aliphatic and monoaromatic hydrocarbons to the gaseous phase.
- Published
- 2020
30. Evaluation of the Greenness of Analytical Procedures
- Author
-
Marta Bystrzanowska, Marek Tobiszewski, and Jacek Namieśnik
- Subjects
Multicriteria decision ,Computer science ,Analytical Chemistry (journal) ,Analytical procedures ,Product (category theory) ,Green chemistry metrics ,Biochemical engineering ,Selection (genetic algorithm) - Abstract
This chapter introduces the need to develop methods for evaluating analytical procedures in the light of green analytical chemistry. Green chemistry metrics are not applicable in analytical chemistry because they refer to the mass of a product and no product with mass is generated during analytical determinations. Evaluations of analytical greenness are based on scoring, with methods such as NEMI and Eco-scale, or comparative analysis as in the case of multicriteria decision analysis. Another important aspect is the assessment of solvents and reagents that are applied in analytical procedures for their greening. Various environmental, safety and health parameters are included in the assessments of solvents and reagents. The mechanisms of evaluation and numerous examples are presented and some results of assessments of reagents and solvents are also included to help analysts in the selection of greener alternatives.
- Published
- 2020
- Full Text
- View/download PDF
31. Challenges in Green Analytical Chemistry
- Author
-
Jacek Namieśnik, Marta Bystrzanowska, and Marek Tobiszewski
- Subjects
Multicriteria decision ,Computer science ,Green metrics ,Analytical procedures ,Analytical Chemistry (journal) ,Green chemistry metrics ,Product (category theory) ,Biochemical engineering ,Multiple-criteria decision analysis ,Selection (genetic algorithm) - Abstract
This contributions introduces the need to develop the methods to evaluate analytical procedures in the light of green analytical chemistry. Green chemistry metrics are not applicable in analytical chemistry because they refer to the mass of product and no product with mass is generated during analytical determination. Analytical greenness evaluations are based on scoring - such as NEMI or Eco-scale or comparative analysis as it is in case of multicriteria decision analysis. Important aspect is also the assessment of solvents and reagents that are applied in analytical procedures for their greening. The different environmental, safety and health parameters are included in the assessments of solvents and reagents. The contribution presents the mechanisms of evaluation and numerous examples. Some results of reagents and solvents assessments are also presented to help analysts in selection greener alternatives.
- Published
- 2020
- Full Text
- View/download PDF
32. An analytical hierarchy process for selection of the optimal procedure for resveratrol determination in wine samples
- Author
-
Justyna Płotka-Wasylka, Magdalena Fabjanowicz, Jacek Namieśnik, Marta Bystrzanowska, and Marek Tobiszewski
- Subjects
Mathematical optimization ,010405 organic chemistry ,010401 analytical chemistry ,Rank (computer programming) ,Analytic hierarchy process ,Sample (statistics) ,Multiple-criteria decision analysis ,01 natural sciences ,0104 chemical sciences ,Analytical Chemistry ,Ranking ,Sample preparation ,Analytical procedures ,Spectroscopy ,Selection (genetic algorithm) ,Mathematics - Abstract
The study shows the application of analytical hierarchy process (AHP) in ranking the analytical procedures, that are applied for resveratrol determination in wine samples. 19 different analytical methodologies are described by metrological, economic and environmental criteria, that are further divided into 10 subcriteria. Before AHP application, the amount of input data is decreased with cluster analysis. The first run of AHP is aimed to rank the clustered analytical procedures, while the second analysis is performed to select the best procedure from the cluster with the highest rank obtained in the first AHP run. The procedure based on a direct sample injection to high performance liquid chromatography with UV detection is the most beneficial one. AHP is excellent tool for the assessment and the selection of the most appropriate analytical procedure from several available. The choice of MCDA method is dictated by the fact, that so far, no examples of the usage of a given method for the selection of the optimal analytical procedure have been found in the literature.
- Published
- 2018
- Full Text
- View/download PDF
33. Green Chemistry in Higher Education: State of the Art, Challenges, and Future Trends
- Author
-
Aleksandra Kurowska-Susdorf, Marek Tobiszewski, Muhammad Sajid, Justyna Płotka-Wasylka, Jacek Namieśnik, and Miguel de la Guardia
- Subjects
Higher education ,010405 organic chemistry ,business.industry ,General Chemical Engineering ,Teaching method ,05 social sciences ,Global warming ,Subject (philosophy) ,050301 education ,01 natural sciences ,0104 chemical sciences ,General Energy ,Greenhouse gas ,Political science ,Sustainability ,Environmental Chemistry ,General Materials Science ,Engineering ethics ,Green chemistry metrics ,business ,0503 education ,Know-how - Abstract
Nowadays, there is increasing interest in global sustainability, and thus, university students would like to know how human actions affect the health status of our planet. This is mainly due to their basic knowledge of problems such as global warming and greenhouse gases. Students would like to gain knowledge on how to safeguard the earth for future generations. This must involve changes in education programs at interested institutions and universities. To ensure that future generations of chemists are equipped with proper knowledge, significant efforts are needed. Thus, this article aims to present the history of green chemistry, its milestones, and ideas on how to teach this subject. A discussion of awareness in the field of green chemistry and of existing teaching materials is presented. In addition, green chemistry metrics, which should be known and used by professors and students, are described. Teaching methods for green chemistry are also given, with special attention paid to organic and analytical chemistry education.
- Published
- 2018
- Full Text
- View/download PDF
34. How can analysts use multicriteria decision analysis?
- Author
-
Marta Bystrzanowska and Marek Tobiszewski
- Subjects
Multicriteria decision ,Computer science ,Management science ,010401 analytical chemistry ,010501 environmental sciences ,Multiple-criteria decision analysis ,01 natural sciences ,Field (computer science) ,0104 chemical sciences ,Analytical Chemistry ,Task (project management) ,Selection (linguistics) ,Decision process ,Complex problems ,Spectroscopy ,0105 earth and related environmental sciences ,Decision analysis - Abstract
Proper decision making in multifacitated situation is very challenging task. It is especially difficult if there are many alternatives and criteria that are often contradictory. Analytical chemistry and related sciences involve many situations where decisions on complex problems are made. The support tools may be the use of MCDA (Multi-criteria Decision Analysis) algorithms. They formalize the decision process, make it transparent in all its aspects. In this review the application of MCDA methods in analytical and some related sciences is presented. The main areas of utilization are selection of proper materials and selection or optimization of processes. Their potential areas of applications are far from being fully explored. This review provides useful insights into the MCDA methods usage in analytical chemistry field that can stimulate the application of these tools in complex decision making processes.
- Published
- 2018
- Full Text
- View/download PDF
35. Implementation of multicriteria decision analysis in design of experiment for dispersive liquid-liquid microextraction optimization for chlorophenols determination
- Author
-
Jacek Namieśnik, Marek Tobiszewski, and Paulina Bigus
- Subjects
Central composite design ,Liquid Phase Microextraction ,Disperser ,02 engineering and technology ,01 natural sciences ,Biochemistry ,Decision Support Techniques ,Analytical Chemistry ,Process engineering ,Chromatography ,Chemistry ,business.industry ,Design of experiments ,010401 analytical chemistry ,Organic Chemistry ,Extraction (chemistry) ,TOPSIS ,General Medicine ,Ideal solution ,021001 nanoscience & nanotechnology ,0104 chemical sciences ,Solvent ,Volume (thermodynamics) ,Solvents ,0210 nano-technology ,business ,Water Pollutants, Chemical ,Chlorophenols - Abstract
A novel and efficient approach to optimization of extraction step prior the chromatographic determination of nine chlorinated phenols is described. It is based on the combination of design of experiments and multicriteria decision analysis. Such an approach is used to optimize dispersive liquid-liquid microextraction procedure for the determination of 9 chlorophenols in water samples. Three parameters are optimized – sample volume, volume of disperser solvent and extraction solvent. Combination of the technique for order of preference by similarity to ideal solution with central composite design allows to perform multi-analyte procedure optimization. It gives information about the efficiency of the system for every experimental plan point in terms of closeness to ideal solution. The optimal conditions for extraction of chlorophenols are 76 μL of extraction solvent, 0.6 mL of dispersive solvent and 6.7 mL of water sample. The presented approach has the potential to be applied in variety of optimization systems.
- Published
- 2018
- Full Text
- View/download PDF
36. SORPTION OF SELECTED CHLORINATED SOLVENTS ON PLANT DEBRIS COLLECTED IN A CITY PARK
- Author
-
Jacek Namiesnik and Marek Tobiszewski
- Subjects
Environmental Engineering ,Sorbent ,biology ,Tetrachloroethylene ,Sorption ,Management, Monitoring, Policy and Law ,engineering.material ,biology.organism_classification ,Pollution ,Partition coefficient ,Green waste ,chemistry.chemical_compound ,Deciduous ,chemistry ,Environmental chemistry ,engineering ,Beech ,Lime - Abstract
Debris from deciduous trees in the form of park green waste was investigated as a potential biosorbent for the removal of chlorinated solvents from water. The sorption properties of beech leaves and cupules, oak leaves and acorns, birch leaves and lime leaves (all tree species common for a moderate climate) in a non-modified form were investigated with regard to the removal of perchloroethylene, 1,1,2-trichloroethane and 1,1,1,2-tetrachlorothane. The preliminary results showed that these biosorbents are characterized by very similar sorption properties as well as the surface area and elemental composition. Therefore the sorption capacities and rate constants were determined in the mixture of debris sampled from park green waste. The values of sorption capacity and partitioning coefficient of biosorbent mixture varied from 22.4 to 70 μg g-1, and from 28 to 173 L kg-1 respectively. The pseudo-first order reaction kinetics model was fitted to the experimental data, yielding rate constants in the range 0.0187-0.0223 min-1. Due to the lowest polarity, perchloroethylene was a sorbate with the highest affinity for sorbent surface. The results show that chlorinated solvents can be sorbed on park green waste. Although park green waste displays weak sorption capacity, it might be still an attractive sorbent due to good availability and low cost.
- Published
- 2018
- Full Text
- View/download PDF
37. Multivariate Assessment of Procedures for Molecularly Imprinted Polymer Synthesis for Pesticides Determination in Environmental and Agricultural Samples
- Author
-
Mariusz Marć, Katarzyna Pokajewicz, Marta Bystrzanowska, and Marek Tobiszewski
- Subjects
Technology ,Multivariate statistics ,Sample (statistics) ,molecularly imprinted polymers ,pesticides ,environmental samples ,agricultural samples ,multi-criteria decision analysis ,Article ,General Materials Science ,Sample preparation ,Process engineering ,Microscopy ,QC120-168.85 ,business.industry ,QH201-278.5 ,Extraction (chemistry) ,Molecularly imprinted polymer ,Sorption ,Pesticide ,Engineering (General). Civil engineering (General) ,TK1-9971 ,Descriptive and experimental mechanics ,Environmental science ,Analytical procedures ,Electrical engineering. Electronics. Nuclear engineering ,TA1-2040 ,business - Abstract
In the case of quantitative and qualitative analysis of pesticides in environmental and food samples, it is required to perform a sample pre-treatment process. It allows to minimalize the impact of interferences on the final results, as well as increase the recovery rate. Nowadays, apart from routinely employed sample preparation techniques such as solid-phase extraction (SPE) or solid-phase microextraction (SPME), the application of molecularly imprinted polymers (MIPs) is gaining greater popularity. It is mainly related to their physicochemical properties, sorption capacity and selectivity, thermo-mechanical resistance, as well as a wide range of polymerization techniques allowing to obtain the desired type of sorption materials, adequate to a specific type of pesticide. This paper targets to summarize the most popular and innovative strategies since 2010, associated with the MIPs synthesis and analytical procedures for pesticides determination in environmental and food samples. Application of multi-criteria decision analysis (MCDA) allows for visualization of the most beneficial analytical procedures in case of changing the priority of each step of analysis (MIPs synthesis, sample preparation process—pesticides extraction, chromatographic analysis) bearing in mind metrological and environmental issues.
- Published
- 2021
- Full Text
- View/download PDF
38. Extraction with environmentally friendly solvents
- Author
-
Katarzyna Owczarek, Jacek Namieśnik, Marek Tobiszewski, Justyna Płotka-Wasylka, and Małgorzata Rutkowska
- Subjects
Green chemistry ,010405 organic chemistry ,business.industry ,010401 analytical chemistry ,Extraction (chemistry) ,01 natural sciences ,Environmentally friendly ,Supercritical fluid ,0104 chemical sciences ,Analytical Chemistry ,Deep eutectic solvent ,chemistry.chemical_compound ,chemistry ,Hazardous waste ,Environmental chemistry ,Analytical procedures ,Sample preparation ,Process engineering ,business ,Spectroscopy - Abstract
The ever-increasing demand for determining compounds at low concentration levels in complex matrices requires a preliminary step of analytes isolation/enrichment in order to employ a detection technique characterized by high sensitivity at low LOQ. Sample preparation is considered as crucial part of analytical procedures. Previously the parameter of “greenness” is as important as selectivity in order to avoid using harmful organic solvents in sustainable extraction techniques. These solvents can generate hazardous, toxic waste while consuming large resources volume. Developing new green solvents is one of the key subjects in Green Chemistry in order to reduce the intensity of anthropogenic activities related to analytical laboratories. A lot of new, more eco-friendly media have been employed as extractant phases. These media, besides of being more eco-friendly, provide shorter extraction times, simplicity, low cost, better selectivity in some cases. The most promising, most widely used green extraction solvents are described in this review.
- Published
- 2017
- Full Text
- View/download PDF
39. Greener organic solvents in analytical chemistry
- Author
-
Jacek Namieśnik and Marek Tobiszewski
- Subjects
010405 organic chemistry ,Process Chemistry and Technology ,010401 analytical chemistry ,Management, Monitoring, Policy and Law ,01 natural sciences ,Catalysis ,Supercritical fluid ,0104 chemical sciences ,Solvent ,chemistry.chemical_compound ,chemistry ,Chemistry (miscellaneous) ,Ionic liquid ,Acetone ,Organic chemistry ,Acetonitrile ,Waste Management and Disposal - Abstract
The paper presents the most recent advances in analytical applications of greener organic solvents. Substitution of problematic solvents with more benign organic ones is much easier than shifting to technique applying alternative solvents, such as ionic liquids or supercritical fluids. In the area of liquid chromatography greener mobile phases, much attention is given to application ethanol or acetone instead of acetonitrile. Solvent-based extractions more often include the application of bio-based organic solvents, such as esters, alcohols or terpenes. All solvents applied in analytical sciences should be carefully assessed before their application.
- Published
- 2017
- Full Text
- View/download PDF
40. Overview of the three multicriteria approaches applied to a global assessment of analytical methods
- Author
-
Pilar Campíns-Falcó, Ana Ballester-Caudet, Paweł Mateusz Nowak, Marek Tobiszewski, and Paweł Kościelniak
- Subjects
Computer science ,Management science ,010401 analytical chemistry ,Multiple-criteria decision analysis ,01 natural sciences ,Spectroscopy ,0104 chemical sciences ,Analytical Chemistry ,Decision analysis - Abstract
Critical and global evaluation of analytical methods should be one of the primary goals in analytical chemistry. A holistic approach, however, requires a look at the varied features: commonly discussed validation criteria, often underrated practical and economic aspects, and typically overlooked compliance with the principles of green analytical chemistry. Carrying out such an assessment in a critical and transparent way is extremely difficult without special tools. The purpose of this work is to discuss and compare the three different approaches that seem to be potential candidates: multi-criteria decision analysis methods (MCDA), HEXAGON, and RGB model. The basic principles of each methodology, individual possibilities offered, and the results of the assessment of selected model methods will be presented. Ultimately, the potential compatibility of assessing the same group of methods using different tools will be examined. This contribution can help to select optimal tool and conduct more thorough and insightful assessments.
- Published
- 2020
41. Chemometrics approaches to green analytical chemistry procedure development
- Author
-
Marta Bystrzanowska, Marek Tobiszewski, and Kaja Kalinowska
- Subjects
Computer science ,Process Chemistry and Technology ,Design of experiments ,Analytical chemistry ,010501 environmental sciences ,Management, Monitoring, Policy and Law ,01 natural sciences ,Catalysis ,010406 physical chemistry ,0104 chemical sciences ,Reduction (complexity) ,Chemometrics ,Variable (computer science) ,Development (topology) ,Chemistry (miscellaneous) ,Principal component analysis ,Waste Management and Disposal ,Energy (signal processing) ,0105 earth and related environmental sciences ,Curse of dimensionality - Abstract
Chemometric tools are widely used in analytical chemistry for the reduction of data dimensionality, grouping of variables, and processing of analytical signals. They have also the potential to be applied in analytical procedure development with the aim of minimizing the procedure's environmental impact. The design of experiment gives the possibility to obtain much better information on the system response than in the case of ‘changing one variable at a time’ approach. This results in materials and energy savings. Desirability functions applied together with the design of experiment create a possibility to include in procedure development the variables that directly refer to the procedure's greenness. In this way, analysis time, consumption of solvents or reagents, and mobile phase (in the case of liquid chromatography) can be minimized. Cluster analysis and principal component analysis are successfully applied to find greener solvent alternatives.
- Published
- 2021
- Full Text
- View/download PDF
42. Environmental risk-based ranking of solvents using the combination of a multimedia model and multi-criteria decision analysis
- Author
-
Francisco Pena-Pereira, Jacek Namieśnik, and Marek Tobiszewski
- Subjects
Multimedia ,010405 organic chemistry ,Chemistry ,Process design ,Photochemical ozone ,Percentage distribution ,010402 general chemistry ,Multiple-criteria decision analysis ,computer.software_genre ,01 natural sciences ,Pollution ,Hazard ,0104 chemical sciences ,Environmental risk ,Ranking ,Hazardous waste ,Environmental Chemistry ,computer - Abstract
A novel procedure for assessing the environmental risk related to solvent emissions has been developed. The assessment of risk was based on detailed hazard and exposure investigations. The potential exposure related to different environmental phases was calculated using a basic multimedia model, which gives the percentage distribution of solvent in environmental compartments as a result. Specific hazards – toxicological, environmental persistence or photochemical ozone creation data have been assigned to each compartment. The environmental distribution of solvents gives the weights applied in the multicriteria decision analysis, which was applied to obtain the full ranking of solvents. The results show that alcohols and esters can be considered as low environmental risk solvents, whereas chlorinated solvents or aromatic hydrocarbons are the most problematic. The assessment procedure holds promise for solvent selection during process design as well as in finding alternatives to hazardous solvents used in existing processes.
- Published
- 2017
- Full Text
- View/download PDF
43. A derivatisation agent selection guide
- Author
-
Francisco Pena-Pereira, Marek Tobiszewski, and Jacek Namieśnik
- Subjects
Multicriteria decision ,Material safety data sheet ,Chromatography ,Ranking ,010405 organic chemistry ,Chemistry ,010401 analytical chemistry ,Environmental Chemistry ,Biochemical engineering ,01 natural sciences ,Pollution ,Selection (genetic algorithm) ,0104 chemical sciences - Abstract
The study reported herein is aimed at the greenness assessment of 267 derivatisation agents that are frequently applied in analytical chemistry and related disciplines. Multicriteria decision analysis allowed obtaining three rankings of derivatisation agents applied in liquid chromatography, gas chromatography and chiral analysis. The criteria of assessment included the safety information obtained from material safety data sheets and physicochemical and environmental parameters predicted with relevant models. As for some of the agents predicted data were not available, these agents were assessed with a smaller number of criteria, within the ranking of low confidence. The results of the study will help to apply greener derivatisation agents, wherever the green chemistry principle of avoiding derivatisation cannot be fulfilled.
- Published
- 2017
- Full Text
- View/download PDF
44. Application of TOPSIS for Selection and Assessment of Analytical Procedures for Ibuprofen Determination in Wastewater
- Author
-
Hussein Al-Hazmi, Marek Tobiszewski, and Jacek Namiesnik
- Subjects
Computer science ,business.industry ,010401 analytical chemistry ,TOPSIS ,010402 general chemistry ,Ibuprofen ,01 natural sciences ,0104 chemical sciences ,Analytical Chemistry ,Wastewater ,medicine ,Analytical procedures ,Process engineering ,business ,Selection (genetic algorithm) ,medicine.drug - Published
- 2016
- Full Text
- View/download PDF
45. A standard analytical method as the common good and pollution abatement measure
- Author
-
Francisco Pena-Pereira, Marek Tobiszewski, Jacek Namieśnik, and Aleksander Orłowski
- Subjects
Pollution ,Measure (data warehouse) ,010405 organic chemistry ,Process (engineering) ,Computer science ,media_common.quotation_subject ,010401 analytical chemistry ,Analytical Chemistry (journal) ,Standard methods ,Multiple-criteria decision analysis ,01 natural sciences ,0104 chemical sciences ,Analytical Chemistry ,Resource (project management) ,Environmental chemistry ,Biochemical engineering ,Spectroscopy ,Decision analysis ,media_common - Abstract
A standard method can be considered as a common-good “resource,” and the solution to “the commons” problems usually lies in societal self-organization. The multi-criteria decision analysis (MCDA) was applied to model complex phenomena, such as the standard selection for imidacloprid determination. In this process, the standard was self-selected by the analytical chemistry society. The results show that analytical chemistry is a subject of rapid development that is not reflected in the modernity of standard methods. A standard method candidate, selected by the analytical society, better fulfills the green (analytical) chemistry principles. The proper standard selection is the most suitable way to control analytical laboratory-related pollution. We suggest more involvement of the analytical society in the standard method management for making analytical chemistry more sustainable and also for the management of analytical chemistry-related pollution.
- Published
- 2016
- Full Text
- View/download PDF
46. Application of multicriteria decision analysis in solvent type optimization for chlorophenols determination with a dispersive liquid–liquid microextraction
- Author
-
Marek Tobiszewski, Jacek Namieśnik, and Paulina Bigus
- Subjects
Analyte ,Chromatography ,Liquid Phase Microextraction ,010405 organic chemistry ,Chemistry ,010401 analytical chemistry ,Organic Chemistry ,Extraction (chemistry) ,TOPSIS ,General Medicine ,Ideal solution ,Multiple-criteria decision analysis ,01 natural sciences ,Biochemistry ,Decision Support Techniques ,0104 chemical sciences ,Analytical Chemistry ,Acetone ,Ranking ,Solvents ,Sensitivity (control systems) ,Water Pollutants, Chemical ,Chlorophenols ,Decision analysis - Abstract
This study presents a novel support tool for the optimization and development of analytical methods. The tool is based on multi-criteria decision analysis (MCDA), namely the Technique for Order of Preference by Similarity to the Ideal Solution (TOPSIS), that allows users to rank possible solutions according to their requirements. In this study, we performed rankings of pairs of eight extraction and three dispersive solvents used in DLLME for chlorophenols extraction from water samples. The first ranking involved sensitivity and precision of the method for each of the nine chlorophenols. The tool is a quantitative solution to the common analytical problem that the change of analytical performance results in better performance for some analytes and worse for others. The second ranking included the assessment of the greenness of each pair of solvents, based on toxicological, ecotoxicological and environmental persistence criteria. The third ranking was based on a combination of sensitivity, precision and greenness criteria. Heptane as an extraction solvent and acetone as a dispersive solvent were selected as the most appropriate ones. The TOPSIS tool is a successful, easy to implement, incorporation of green analytical chemistry values to analytical method optimization.
- Published
- 2016
- Full Text
- View/download PDF
47. Hasse diagram as a green analytical metrics tool: ranking of methods for benzo[a]pyrene determination in sediments
- Author
-
Vasil Simeonov, Paulina Bigus, Marek Tobiszewski, Stefan Tsakovski, and Jacek Namieśnik
- Subjects
Multivariate statistics ,Chemistry ,010401 analytical chemistry ,Analytical chemistry ,Greenness assessment ,Hasse diagram ,010501 environmental sciences ,computer.software_genre ,01 natural sciences ,Biochemistry ,0104 chemical sciences ,Analytical Chemistry ,Chemometrics ,Benzo[a]pyrene ,Green chemistry ,Ranking ,Analytical procedures ,Data mining ,computer ,Research Paper ,0105 earth and related environmental sciences - Abstract
This study presents an application of the Hasse diagram technique (HDT) as the assessment tool to select the most appropriate analytical procedures according to their greenness or the best analytical performance. The dataset consists of analytical procedures for benzo[a]pyrene determination in sediment samples, which were described by 11 variables concerning their greenness and analytical performance. Two analyses with the HDT were performed—the first one with metrological variables and the second one with “green” variables as input data. Both HDT analyses ranked different analytical procedures as the most valuable, suggesting that green analytical chemistry is not in accordance with metrology when benzo[a]pyrene in sediment samples is determined. The HDT can be used as a good decision support tool to choose the proper analytical procedure concerning green analytical chemistry principles and analytical performance merits. Electronic supplementary material The online version of this article (doi:10.1007/s00216-016-9473-4) contains supplementary material, which is available to authorized users.
- Published
- 2016
- Full Text
- View/download PDF
48. Assessment and design of greener deep eutectic solvents – A multicriteria decision analysis
- Author
-
Marta Bystrzanowska and Marek Tobiszewski
- Subjects
Multicriteria decision ,Low toxicity ,TOPSIS ,02 engineering and technology ,010402 general chemistry ,021001 nanoscience & nanotechnology ,Condensed Matter Physics ,Biological effect ,01 natural sciences ,Environmentally friendly ,Atomic and Molecular Physics, and Optics ,0104 chemical sciences ,Electronic, Optical and Magnetic Materials ,chemistry.chemical_compound ,chemistry ,Ionic liquid ,Materials Chemistry ,Biochemical engineering ,Physical and Theoretical Chemistry ,0210 nano-technology ,Spectroscopy ,Eutectic system - Abstract
Deep eutectic solvents (DES) are often considered as green solvents because of their properties, such as negligible vapor pressure, biodegradability, low toxicity or natural origin of their components. Due to the fact that DES are cheaper than ionic liquids, they have gained many applications in a short period of time. However, claims about their greenness sometimes seem to be exaggerated. Especially, bearing in mind lots of data gaps for DES properties as well as their individual components. To clarify the situation on their greenness status, a comprehensive assessment of commonly used hydrogen bond acceptors and donors separately and as DES is performed. The application of multicriteria decision analysis (TOPSIS ranking) with combination of biological effect modeling for DES to rank these alternatives according to greenness criteria is proposed. Also traditional organic solvents and ionic liquids as greenness reference points for better understanding are introduced. The ranking results show that many DES, which are synthetized by mixing sugars alcohols, alcohols, sugars and amides are promising environmentally friendly solvents, more than some imidazolium-based ionic liquids. Mixtures including components with metal ions and organic acids are less green.
- Published
- 2021
- Full Text
- View/download PDF
49. How green are ionic liquids? - A multicriteria decision analysis approach
- Author
-
Francisco Pena-Pereira, Marta Bystrzanowska, Marek Tobiszewski, and Łukasz Marcinkowski
- Subjects
Multicriteria decision ,Computer science ,Health, Toxicology and Mutagenesis ,0211 other engineering and technologies ,Ionic Liquids ,02 engineering and technology ,010501 environmental sciences ,01 natural sciences ,Decision Support Techniques ,chemistry.chemical_compound ,0105 earth and related environmental sciences ,021110 strategic, defence & security studies ,Toxicity data ,Public Health, Environmental and Occupational Health ,Green Chemistry Technology ,General Medicine ,Environmental Exposure ,Multiple-criteria decision analysis ,Pollution ,Biodegradation, Environmental ,chemistry ,Ranking ,Ionic liquid ,Green metrics ,Solvents ,Non polar ,Environmental Pollutants ,Biochemical engineering ,Unavailability - Abstract
Due to various desirable physicochemical properties, ionic liquids (ILs) are still gaining in popularity. ILs have been recurrently considered green solvents. However, environmental, health and safety assessments of ILs have raised certain doubts about their benignness, and their greenness status is currently unclear. To clarify the situation on their greenness, we perform a comprehensive assessment of more than 300 commercially available ILs. We apply multicriteria decision analysis, the tool that allows ranking many alternatives according to relevant criteria. They are toxicity towards various organisms, biodegradability, hazard statements and precautionary measures during their handling. We incorporated organic solvents to rankings, as their greenness is better described, so they serve as greenness reference points. The ranking results obtained considering the whole set of criteria show that ILs are placed between recommended polar solvents and problematic/undesirable non polar organic solvents in terms of greenness. However, the exclusion of toxicity data due to unavailability of endpoints results in assessment of ILs as greener than most of organic solvents.
- Published
- 2019
50. Comparative Greenness Evaluation
- Author
-
Marta Bystrzanowska, Marek Tobiszewski, and Aleksander Orłowski
- Subjects
Analyte ,Ranking ,Computer science ,Analytic hierarchy process ,Sample preparation ,TOPSIS ,Analytical procedures ,Data mining ,Metric (unit) ,computer.software_genre ,computer ,Decision analysis - Abstract
Greenness of analytical procedure is multivariable aspect as many greenness criteria should be taken into consideration. On the other hand, modern analytical chemistry offers dozens of analytical procedures, based on different sample preparation and final determination techniques that are used for the determination of a given analyte in a given matrix. For such complex decision-making processes, multi-criteria decision analysis tools are applied as a systematic approach to deal with complex decisions. Multi-criteria decision analysis can be treated as green analytical chemistry comparative metric tool if criteria of assessment describe procedures greenness. In this contribution, we present the results of ranking of seven analytical procedures that are used for the determination of benzo[a]pyrene in smoked food products. The results of TOPSIS, AHP, PROMETHEE application indicate that the first rank is scored by microwave-assisted extraction followed by high-performance liquid chromatography with spectrofluorometric detection, indicating this procedure as the greenest alternative. The contribution describes a step-by-step approach to the application of three multi-criteria decision analysis tools as green analytical chemistry metrics systems.
- Published
- 2019
- Full Text
- View/download PDF
Catalog
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.