Wyszukiwarka
dr hab. inż. Marek Tobiszewski
Zatrudnienie
- Prodziekan ds. nauki w Wydział Chemiczny
- Profesor uczelni w Katedra Chemii Analitycznej
Obszary badawcze
Publikacje
Filtry
wszystkich: 94
Katalog Publikacji
Rok 2024
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Application of multicriteria decision analysis to assess the greenness of molecularly imprinted polymers synthesis components
PublikacjaThe study applies multicriteria decision analysis (MCDA) to rank the components of molecularly imprinted polymers (MIPs) synthesis according to their greenness. The components are taken from papers that are describing synthesis of MIPs for persistent organic pollutants (POPs) sorbents. Functional monomers (n = 14), target/surrogate molecules (n = 10), porogens (n = 8), cross-linking agents (n = 8) and initiators (n = 4) are described...
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Polymeric porous membranes as solid support and protective material in microextraction processes: A review
PublikacjaPolymeric porous membranes have proven to be a versatile and efficient material for microextraction processes. In analytical practice, they are used both as a solid support and as a protective medium for improved sample preparation in various analytical applications. Polymeric porous membranes offer unique advantages in microextraction due to their large surface area and controllable pore size, eliminating interfering effects from...
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Simple smartphone-based methods for the determination of bioactive compounds in wine
PublikacjaA set of simple smartphone-based methods of bioactive compounds determination were developed for wine analysis. Procedures for smartphone-based determination of the total content of phenolic compounds, flavonoids, anthocyanins and biogenic amines, as well as measurement of antioxidant activity were developed and fully validated. The experimental setup is based on smartphone and 3D-printed device, though it is very simple and can...
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Smartphone-based digital image colorimetry for the determination of total capsaicinoid content in chili pepper extracts
PublikacjaA simple smartphone-based digital image colorimetry was proposed for the determination of total capsaicinoid content and the assessment of chili pepper pungency. The biobased solvent D-limonene was used for the first time to isolate analytes. Capsaicinoids were efficiently separated from chili pepper by solid-liquid extraction with D-limonene followed by partitioning of the analytes into the ammonium hydroxide solution to eliminate...
Rok 2023
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Analytical applications of smartphones for agricultural soil analysis
PublikacjaSoil 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 to determine the exact amount of nutrients or other chemical, physical and biological soil properties. Soil analysis usually requires samples collection at desired sampling depth following by samples...
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Development and validation of an eco-compatible UV–Vis spectrophotometric method for the determination of Cu2+ in aqueous matrices
PublikacjaCu 2+ are ubiquitous ions in the ecosystem and are responsible of serious environmental pollution. Indeed, the development of sensitive methods for Cu 2+ detection is an urgent demand. In this work, we proposed a new spectrophotometric method for Cu 2+ determination in different water matrices (distilled water, drinking water, wastewater, and river water). The method employs a bio-based organic ligand namely tetrasodium iminodisuccinate...
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Green sample preparation 2023
Publikacjabrak
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Green, simple analytical method for total biogenic amines content determination in wine using spectrophotometry
PublikacjaA simple, green and equitable procedure for total biogenic amines (BAs) content determination was developed. The scientific novelty lies in the use of commercially available S 0378 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...
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Greenness assessment of analytical methods used for antibiotic residues determination in food samples
PublikacjaFood of animal origin plays an important role in ensuring a healthy and sustainable human diet. However, residues of pharmaceuticals, especially antibiotics, can be the cause of many health problems. To protect consumers and improve food quality, analytical methods used to determine contaminants should be simple, selective, and have high throughput and low detection limits. Recently, greenness metric tools have proven useful in...
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How to evaluate methods used in chemical laboratories in terms of the total chemical risk? – a ChlorTox Scale
PublikacjaReliable assessment of the health and environmental risk associated with the use of chemicals is critical to ob- jectively 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...
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Simple analytical method for total biogenic amines content determination in wine using a smartphone
PublikacjaA simple, fast, and green smartphone-based procedure for total biogenic amines content determination in wine was developed and validated. Sample preparation and analysis were simplified to make the method suitable for routine analyses even in resource-scarce settings. The commercially available S0378 dye and smartphone-based detection were used for this purpose. The developed method has satisfactory figures of merit for putrescine...
Rok 2022
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A Tutorial on AGREEprep an Analytical Greenness Metric for Sample Preparation
PublikacjaSample 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....
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AGREEprep – Analytical greenness metric for sample preparation
PublikacjaThis work proposes for the first time, a metric tool that gives prominence to sample preparation. The developed metric (termed AGREEprep) was based on 10 categories of impact that were recalculated to 0 e1 scale sub-scores, and then used to calculate the final assessment score. The criteria of assessment evaluated, among others, the choice and use of solvents, materials and reagents, waste generation, energy consumption, sample...
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Techniki wielokryterialnego podejmowania decyzji jako narzędzia wspierające etap przygotowania próbek do analizy
PublikacjaDylematami decyzyjnymi chemików-analityków są wybór odpowiednich technik przygotowania próbek do analizy, procedur analitycznych, warunków ich prowadzenia oraz dobór odczynników chemicznych. Elementy szczególnie istotne w aspekcie metrologicznym. Jednakże rozwiązanie optymalne powinno także uwzględniać kwestie ekonomiczne i środowiskowe, ostatnie reprezentowane przez koncepcję zielonej chemii (wytyczne do projektowania bardziej...
Rok 2021
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Application of chromogenic dye in biogenic amines determination using spectrophotometry
PublikacjaBiogenic amines content can be the source of information in the field of freshness and suitability of certain foods for consumption. However, most analytical methods for their determination require complicated sample preparation and expert knowledge. Because of that, a novel approach based on chromogenic dye application was proposed. After the SN1 reaction of an amine with S 0378 dye, the absorbance of the solution was measured...
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Assessment and design of greener deep eutectic solvents – A multicriteria decision analysis
PublikacjaDeep 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...
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Chemometrics approaches to green analytical chemistry procedure development
PublikacjaChemometric 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 case of “changing...
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Emissions and toxic units of solvent, monomer and additive residues released to gaseous phase from latex balloons
PublikacjaThis 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 36.13 μg∙g-1 for 30oC and 60oC, respectively. The dataset is treated with principal...
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Multicriteria Decision Analysis and Grouping of Analytical Procedures for Phthalates Determination in Disposable Baby Diapers
PublikacjaThis 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...
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Multivariate Assessment of Procedures for Molecularly Imprinted Polymer Synthesis for Pesticides Determination in Environmental and Agricultural Samples
PublikacjaIn 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...
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Organic syntheses greenness assessment with multicriteria decision analysis
PublikacjaGreen 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 com- parative 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...
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Smartphones as tools for equitable food quality assessment
PublikacjaBackground: 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...
Rok 2020
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AGREE—Analytical GREEnness Metric Approach and Software
PublikacjaGreen 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...
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Chemometrics for Selection, Prediction, and Classification of Sustainable Solutions for Green Chemistry—A Review
PublikacjaIn this review, we present the applications of chemometric techniques for green and sustainable chemistry. The techniques, such as cluster analysis, principal component analysis, artificial neural networks, and multivariate ranking techniques, are applied for dealing with missing data, grouping or classification purposes, selection of green material, or processes. The areas of application are mainly finding sustainable solutions...
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Evaluation of the Greenness of Analytical Procedures
PublikacjaThis 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...
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Exploratory analysis and ranking of analytical procedures for short-chain chlorinated paraffins determination in environmental solid samples
PublikacjaShort-chain chlorinated paraffins are ones of the most recent chemical compounds that have been classified as persistent organic pollutants. They have various applications and are emitted to the environment. Despite the fact, that the content levels of these compounds in the environmental compartments should be monitored, there is still a lack of well-defined and validated analytical procedures, proposed or suggested by the national...
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Fuzzy Divisive Hierarchical Clustering of Solvents According to Their Experimentally and Theoretically Predicted Descriptors
PublikacjaThe 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, dierent molecular symmetry, and spatial orientation. Methods of chemometrics can usefully be used to extract and explore accurately...
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Monetary values estimates of solvents emissions
PublikacjaThe impact values for 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 for solvents present in water on additional 2 impact indicators. These impact values are weighted with the results obtained with multi-compartment distribution model, allowing to calculate the fraction of solvent emitted...
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Optimization of liquid chromatographic separation of pharmaceuticals within green analytical chemistry framework
PublikacjaThe contribution is aimed at the development of methodology that allows to consider green analytical chemistry criteria during optimization of liquid chromatographic separation with design of experiment. The objectives of the optimization are maximization of peak areas of five non-steroid anti-inflammatory drugs, maximization of resolution between peaks, with simultaneous shortening of chromatographic separation time and minimization...
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Overview of the three multicriteria approaches applied to a global assessment of analytical methods
PublikacjaCritical 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...
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Searching for Solvents with an Increased Carbon Dioxide Solubility Using Multivariate Statistics
PublikacjaIonic 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...
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Zielone rozpuszczalniki w analityce chemicznej
PublikacjaW kontekście zielonej chemii analitycznej najczęściej omawianymi obszarami analityki są etapy rozdzielania analitów i przygotowywania próbek do analizy, gdzie zużywa się największe ilości rozpuszczalników i odczynników. Priorytetem jest zmniejszenie ich ilości oraz wprowadzanie alternatywnych, bardziej bezpiecznych dla zdrowia ludzi i środowiska rozpuszczalników, tzw. zielonych rozpuszczalników (m.in. ciecze jonowe, płyny w stanie...
Rok 2019
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Analytical chemistry with biosolvents
PublikacjaOne 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....
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Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air
PublikacjaPartition coefficients define how a solute is distributed between two immiscible phases at equilibrium. The experimental estimation of partition coefficients in a complex system can be an expensive, difficult, and time-consuming process. Here a computational strategy to predict the distributions of a set of solutes in two relevant phase equilibria is presented. The octanol/water and octanol/air partition coefficients are predicted...
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Chemometrics and Statistics | Multicriteria Decision Making
PublikacjaThis contribution describes the application of Multicriteria Decision Making tools in analytical chemistry. The general scheme of MCDM is presented to show its general steps. The most frequently applied in analytical sciences MCDM techniques – AHP, ELECTRE, PROMETHEE and TOPSIS – are briefly described and their advantages and disadvantages are discussed. The applications in analytical chemistry are selection of an appropriate...
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Comparative Greenness Evaluation
PublikacjaGreenness 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...
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Diethyl carbonate as a green extraction solvent for chlorophenol determination with dispersive liquid–liquid microextraction
PublikacjaThe principles of green analytical chemistry indicate that the search for greener organic solvents for extraction applications is crucial. In this study diethyl carbonate (DEC) is proved to be a green solvent, as it is relatively nontoxic, obtainable from renewable resources and biodegradable. Here it is applied as an extraction solvent for chlorophenol determination in water samples with dispersive liquid–liquid microextraction....
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Green and equitable analytical chemistry
PublikacjaGreen analytical chemistry introduces the ideas of reduction ofanalytical activities impact on the environment. However, to bemore sustainable, analytical chemistry should include socialaspects in greater manner. In this light‘equitable’analyticalprocedures, which are easily available in terms of price andapplicability by everyday user, are developed. These positivetrends are observed as many procedures, based on commonlyused for...
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How green are ionic liquids? – A multicriteria decision analysis approach
PublikacjaDue 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...
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Multi-objective optimization of microextraction procedures
PublikacjaOptimization of extraction process requiresfinding acceptable conditions for many analytes and goodperformance in terms of process time or solvent consumption. These optimization criteria are oftencontradictory to each other, the performance of the system in given conditions is good for some criteriabut poor for others. Therefore, such problems require special assessment tools that allow to combinethese contradictory criteria into...
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Ranking of Heterogeneous Catalysts Metals by Their Greenness
PublikacjaCatalysis is very important process in industry and laboratory practice, especially from the point of green chemistry principles. However, eco-friendly character of heterogeneous catalysts, containing transition metal components has not been evaluated, yet. Therefore, we perform a comprehensive assessment of 18 heterogeneous metal catalysts (Pd, Pt, V, Co, Ni, Mo, Ru, Mn, Au, Cu, Cd, Zr, Fe, Rh, Ir, Sn, Zn, Ag) using multicriteria...
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Selection of derivatisation agents for chlorophenols determination with multicriteria decision analysis
PublikacjaThe 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...
Rok 2018
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An analytical hierarchy process for selection of the optimal procedure for resveratrol determination in wine samples
PublikacjaThe 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...
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Expectation-Maximization Model for Substitution of Missing Values Characterizing Greenness of Organic Solvents
PublikacjaOrganic 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...
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Green Chemistry in Higher Education: State of the Art, Challenges, and Future Trends
PublikacjaNowadays, 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...
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How can analysts use multicriteria decision analysis?
PublikacjaProper 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...
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Implementation of multicriteria decision analysis in design of experiment for dispersive liquid-liquid microextraction optimization for chlorophenols determination
PublikacjaA 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,...
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Multi-Decision Analysis for selection of the best procedure for PAHs determination in smoked food.
PublikacjaMaking a proper decision in multifacitated situation is very challenging task. Especially, if there are many alternatives and criteria, even contradictory ones. The support tools may be application of MultiCriteria Decision Analysis methods. In this study the application of PROMETHEE...
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Pre-selection and assessment of green organic solvents by clustering chemometric tools
PublikacjaThe study presents the result of the application of chemometric tools for selection of physicochemical parameters of solvents for predicting missing variables – bioconcentration factors, water-octanol and octanol-air partitioning constants. EPI Suite software was successfully applied to predict missing values for solvents commonly considered as “green”. Values for logBCF, logKOW and logKOA were modelled for 43 rather nonpolar solvents...
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Simultaneous grouping and ranking with combination of SOM and TOPSIS for selection of preferable analytical procedure for furan determination in food
PublikacjaNovel methodology for grouping and ranking with application of self-organizing maps and multicriteria decision analysis is presented. The dataset consists of 22 objects that are analytical procedures applied to furan determination in food samples. They are described by 10 variables, referred to their analytical performance, environmental and economic aspects. Multivariate statistics analysis allows to limit the amount of input...
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