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Chemometrics and Statistics | Multicriteria Decision Making
PublicationThis 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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Miniaturized Solid Phase Extraction techniques for different kind of pollutants analysis: State of the art and future perspectives – PART 1
PublicationSolid Phase Extraction (SPE) has been practiced in a modern form for more than half a century. It was constantly developing, driven by the analysts needs. These needs are coming from the importance to select an appropriate analytical method, which should have satisfactory accuracy, precision and sensitivity. In the case of sorbent-based microextraction techniques, the choice of miniaturized variants that meet these requirements...
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Determination of phenylbutazone, sulfamethazine, carbendazim and linuron using a novel pine bark biosorbent for solid-phase extraction (SPE) with high-performance liquid chromatography (HPLC)
PublicationThe paper presents a novel pine bark based biosorbent for solid-phase extraction (SPE). The morphology and composition of the pine bark were characterized using Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). The biosorbent was used for the preparation of wastewater for the determination of phenylbutazone, sulfamethazine, carbendazim, and linuron by high performance liquid chromatography with...
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Thermodynamics and Intermolecular Interactions of Nicotinamide in Neat and Binary Solutions: Experimental Measurements and COSMO-RS Concentration Dependent Reactions Investigations
PublicationIn this study, the temperature-dependent solubility of nicotinamide (niacin) was measured in six neat solvents and five aqueous-organic binary mixtures (methanol, 1,4-dioxane, acetonitrile, DMSO and DMF). It was discovered that the selected set of organic solvents offer all sorts of solvent effects, including co-solvent, synergistic, and anti-solvent features, enabling flexible tuning of niacin solubility. In addition, differential...
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Bioassays as one of the Green Chemistry tools for assessing environmental quality: A review
PublicationFor centuries, mankind has contributed to irreversible environmental changes, but due to the modern science of recent decades, scientists are able to assess the scale of this impact. The introduction of laws and standards to ensure environmental cleanliness requires comprehensive environmental monitoring, which should also meet the requirements of Green Chemistry. The broad spectrum of Green Chemistry principle applications should...
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Controlling the size and morphology of precipitated calcite particles by the selection of solvent composition
PublicationCalcium carbonate particles were obtained in the reaction of calcium hydroxide with carbon dioxide at 65°C. Initial Ca(OH)2 suspensions were prepared in pure water and aqueous solutions of ethylene glycol or glycerol of the concentration range up to 20% (vol.). The course of reaction was monitored by conductivity measurements. Precipitated solids were analyzed by FTIR, XRD, SEM and the particles size distribution was determined...
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Cellulose and its derivatives, coffee grounds, and cross-linked, β-cyclodextrin in the race for the highest sorption capacity of cationic dyes in accordance with the principles of sustainable development
PublicationIn this study, seven different materials were analyzed and includes coffee grounds (CG), two types of cellulose (CGC and CC), two types of modified cellulose (CT and CTCD), and cross-linked β-cyclodextrin (CD-1 and CD-2) were tested as adsorbents for the removal of dyes from the wastewater. The composition, morphology, and presence of functional groups in the obtained sorption materials were characterized by elemental analysis,...
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Green chromatography
PublicationAnalysis of organic compounds in samples characterized by different composition of the matrix is very important in many areas. A vast majority of organic compound determinations are performed using gas or liquid chromatographic methods. It is thus very important that these methods have negligible environmental impact. Chromatographic techniques have the potential to be greener at all steps of the analysis, from sample collection...
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Predicting sulfanilamide solubility in the binary mixtures using a reference solvent approach
PublicationBackground. Solubility is a fundamental physicochemical property of active pharmaceutical ingredients. The optimization of a dissolution medium aims not only to increase solubility and other aspects are to be included such as environmental impact, toxicity degree, availability, and costs. Obtaining comprehensive...
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Synthesis and properties of new 'N,'N-phenyltetrazole podand
PublicationThe synthesis of a new chromogenic N,N-phenyltetrazole receptor is reported here. The cationbinding properties of this receptor in solution were investigated by naked-eye colour change, electrochemical methods and UV-Vis spectroscopy in various solvents (CH3CN, dimethylsulphoxide (DMSO), DMSO/H2O, CH3CN/H2O and CH3CN/MeOH). In addition, the receptor was used as a sensing material in ion-selective membrane electrodes. The selectivity...
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Solid phase extraction clean up of soil and sediment extracts for the determination of various types of pollutants in a single run.
PublicationOpisano nową procedurę oczyszczania ekstraktów rozpuszczalnikowych (uzyskanych w trakcie obróbki próbek gleby i osadów dennych) z wykorzystaniem techniki ekstrakcji do fazy stałej. Oryginalność podejścia polega na znalezieniu takiej kombinacji sorbentów, że uzyskuje się ekstrakt przygotowany do analizy chromatograficznej na zawartość różnych typów zanieczyszczeń (polichlorowane bifenyle, wielopierścieniowe węglowodory aromatyczne,...
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A comparison of three solvent-free techniques coupled with gas chromatography for determining trihalomethanes in urine samples
PublicationDążenie do oznaczania lotnych analitów organicznych w próbkach płynów biologicznych charakteryzujących się złożonym, a często zmiennym składem matrycy, stanowi siłę napędową do działań analityków w zakresie poszukiwania nowych rozwiązań metodycznych i aparaturowych. Publikacja ta przedstawia porównanie trzech technik zastosowanych do tych celów: technikę analizy fazy nadpowierzchniowej z generacją strumienia ciekłego sorbentu...
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Badania nad rozdzielaniem grupowym technikami sorpcji i chromatografii. Część I – Wykorzystanie chromatografii cienkowarstwowej (TLC) dla doboru warunków rozdzielania tłuszczów i produktów ich konwersji technikami kolumnowymi.
PublicationPrzeprowadzono badania wyjaśniające wpływ eluentu oraz fazy stacjonarnej na wartość parametrów elucji mono-, di-, triacylogliceroli oraz wolnych kwasów tłuszczowych, eluowanych w warunkach cienkowarstwowej chromatografii cieczowej (TLC). Celowo wykorzystano sorbenty inne niż kopolimer styrenu i di-winylobenzenu (SDVB). Starano się dobrać taki eluent, aby możliwe było rozdzielanie tłuszczów za pomocą chromatografii wykluczania...
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The preparation and evaluation of core-shell magnetic dummy-template molecularly imprinted polymers for preliminary recognition of the low-mass polybrominated diphenyl ethers from aqueous solutions
PublicationThe design, preparation process, binding abilities, morphological characteristic and prospective field of application of dummy-template magnetic molecularly imprinted polymer (DMMIP) for preliminary recognition of the selected low-mass polybrominated diphenyl ethers (PBDE-47 and PBDE-99) from aquatic environment were investigated. The surface of iron oxide (Fe3O4) nanopowder (50-100 nm particles size) was modified with tetraethoxysilane...
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Rheology of liquid crystalline polymers
PublicationLiquid crystallinity was invented in the 19th century. It was sometimes called the fourth state of matter because of the ability of macromolecules to generate liquid crystal phases. The main classification divided liquid crystalline polymers (LCPs) into lyotropic and thermotropic types. Interpretation of the rheological behavior of LCP is more complicated than for other polymers. Ordinary polymers are characterized by a normal...
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How to make membrane distillation greener? A review on environmentally friendly and sustainable aspects
PublicationThere is an urgent need for the development of new water resources in order to solve the problem of the world’s growing demand for clean water. Membrane distillation (MD) is a promising alternative to conventional seawater desalination. Although MD itself is often defined as sustainable desalination technology, there are many aspects within the membrane manufacture and process operation that make it far from being green. For instance,...
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Fast, sensitive and reliable multi-residue method for routine determination of 34 pesticides from various chemical groups in water samples by using dispersive liquid – liquid microextraction coupled with gas chromatography – mass spectrometry
PublicationA simple and efficient dispersive liquid-liquid microextraction technique (DLLME) was developed by using a mixture of two solvents: 40 μL of tetrachlorethylene (extraction solvent) and 1.0 mL of methanol (disperser solvent), which was rapidly injected with a syringe into 10mL ofwater sample. Some important parameters affecting the extraction efficiency, such as type and volume of solvents, water sample volume, extraction time,...
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Measurements of Activity Coefficients at Infinite Dilution for Organic Solutes in the Ionic Liquids N-Ethyl- and N-Octyl-N-methylmorpholinium Bis(trifluoromethanesulfonyl)imide. A Useful Tool for Solvent Selection
PublicationIn recent years, many papers describing ionic liquids (IL) as promising solvents in separation techniques have been published. The conscious choice of appropriate ionic liquid as absorption media in effective extraction of selected types of analytes requires deeper understanding of the analyte−IL interactions. Therefore, intensive research is conducted to determine the values of activity coefficient at infinite dilution, which...
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Membrane separation processes for the extraction and purification of steviol glycosides: an overview
PublicationSteviol glycosides (SGs), as natural sweeteners from Stevia rebaudiana, are currently employed for replacing sugar and its derivatives in several food products and formulations. Such compounds play an essential role in human health. Their usage provides a positive effect on preventing diseases related to sugar consumption, including diabetes mellitus, cancer, and lipid metabolism disorders. The traditional extraction of SGs is...
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Introduction to MIP synthesis, characteristics and analytical application
PublicationOne of the trends in analytical chemistry is associated with designing and developing new types of sample preparation techniques, which might significantly increase the efficiency and selectivity of the analytes isolation or/and preconcentration process. One of the most widely employed solutions are selective sorption materials, defined as molecularly imprinted polymers (MIPs), as well as the sorbents with the molecular fingerprint....
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Removal of nonsteroidal anti-inflammatory drugs and analgesics from wastewater by adsorption on cross-linked β-cyclodextrin
PublicationWe present a method using the material in the form of cross-linked β-cyclodextrin (CD) showing high efficiency in the simultaneous removal of hazardous pollutants from sewage, such as diclofenac (DIC), ibuprofen (IBU), ketoprofen (KETO), naproxen (NAPR), salicylic acid (SALI) and tramadol (TRAM). The material is stable and particularly easy to regenerate. The sorbent probably remembers the shape of the contaminants, which increases...
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Analysis of exhaled breath for dengue disease detection by low-cost electronic nose system
PublicationThis paper presents a procedure and a set-up of an electronic nose system analyzing exhaled breath to detect the patients suffering from dengue – a mosquito-borne tropical disease. Low-power resistive gas sensors (MiCS-6814, TGS8100) were used to detect volatile organic compounds (VOCs) in the exhaled breath. The end-tidal phase of patients exhaled breath was collected with a BioVOCTM breath sampler. Two strategies were assessed...
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Solubility advantage of sulfanilamide and sulfacetamide in natural deep eutectic systems: experimental and theoretical investigations
PublicationObjective: The aim of this study was to explore the possibility of using natural deep eutectic solvents (NADES) as solvation media for enhancement of solubility of sulfonamides, as well as gaining some thermodynamic characteristics of the analyzed systems. Significance: Low solubility of many active pharmaceutical ingredients is a well-recognized difficulty in pharmaceutical industry, hence the need for different strategies addressing...
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Coacervative extraction as a green technique for sample preparation for the analysis of organic compounds
PublicationOne of the present trends in analytical chemistry is miniaturization, which is one of the methods of green analytical chemistry application. A particular emphasis is placed on the elimination of the use of large amounts of organic solvents which are toxic and harmful to the environment, maintaining high efficiency of the extraction process, high recovery values and low values of quantification (LOQ) and detection (LOD) limits....
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Application of headspace-solid phase microextraction followed by gas chromatography-mass spectrometry to determine short-chain alkane monocarboxylic acids in aqueous samples
PublicationCelem prowadzonych badań było opracowanie metodyki oznaczania krótkołańcuchowych kwasów alkanomonokarboksylowych (KKA), opartej na ich izolowaniu i wzbogacaniu za pomocą techniki HS-SPME, a następnie oznaczaniu za pomocą chromatografii gazowej sprzężonej ze spektrometrią mas (GC-MS). Do ekstrakcji zastosowano włókno pokryte polarną fazą stacjonarną opartą na glikolu polietylenowym (PEG). Dla celów porównawczych zastosowano również...
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Zastosowanie połączenia mikroekstrakcji do fazy stacjonarnej i chromatografii gazowej do oceny zanieczyszczenia środowiska bojowymi środkami chemicznymi
PublicationChromatografia gazowa to niezastąpione narzędzie do oznaczania lotnych zanieczyszczeń w próbkach środowiskowych. Najczęściej wymaga ona jednak wprowadzenia etapu przygotowania próbek. Wygodnym sposobem jest mikroekstrakcja analitów do fazy stacjonarnej. Anality mogą być ekstrahowane z gazu lub cieczy lub też z fazy nadpowierzchniowej cieczy lub ciała stałego do włókna pokrytego sorbentem. Desorpcja analitów następuje w dozowniku...
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Nanosorbents as Materials for Extraction Processes of Environmental Contaminants and Others
PublicationThe aim of this work focuses on the application of nanomaterials (NMs) in different sorp- tive extraction techniques for the analysis of organic contaminants from environmental samples of distinct matrix compositions. Without any doubt, the integration of specific NMs such as carbona- ceous nanomaterials, magnetic nanoparticles (MNPs), metal–organic frameworks (MOFs), silica na- noparticles, and ion-imprinted NPs with so lid-phase...
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The role of water in deep eutectic solvent-base extraction
PublicationDeep eutectic solvents (DESs) are currently being used in different sectors, such as electrochemistry, electrodeposition, organic synthesis, nanoparticle preparation, bioactive compound separation, etc. Their use in analytical chemistry has only recently begun to expand. Despite the publication of a sufficient number of DES-based analytical extraction procedures, some details, such as interaction of DESwith the sample and target...
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Chemometrics for Selection, Prediction, and Classification of Sustainable Solutions for Green Chemistry—A Review
PublicationIn 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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Troubleshooting of the determination of bisphenol A at ultra-trace levels by liquid chromatography and tandem mass spectrometry
PublicationDetermination of trace amounts of bisphenol A (BPA) may cause problems mainly related to the presence of BPA in solvents (even in LC-MS grade), laboratory vessels, and plastic equipment used for sample preparation. Variable and sometimes significant amounts of BPA present in the background cause problems in obtaining good repeatability of measurements at the ultra-trace levels. Such observations (i.e., poor repeatability of results)...
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Developments in Green Chromatography
PublicationGreen analytical chemistry is a widely recognized concept that has led to the development of new analytical methods with reduced environmental impact and minimized analyst occupational exposure. Achievements include the development of microextraction, ultrasound-assisted extraction (UAE), and microwave-assisted extraction (MAE) techniques. Research towards greener separation processes focuses on the elimination of toxic solvents...
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Visualizing spatially decomposed intermolecular correlations in the infrared spectra of aprotic liquids
PublicationInfrared (IR) spectroscopy is commonly used to study intermolecular interactions in the liquid phase, including solvation phenomena. On the other hand, ab initio molecular dynamics (AIMD) simulations offer the possibility to obtain IR spectra from first principles. Surpassing the experiment, AIMD simulations can deliver additional information on the spatial intermolecular correlations underlying the IR spectrum of the liquid. Although...
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Determination of impurities in pharmaceutical products using LC-MS
PublicationPharmaceutical products can be contaminated by residues of solvents, reagents (used for the synthesis) or degradation products. Impurities in drug may pose a risk to human health and life, therefore analysis and identification of impurities in pharmaceutical products is veryimportant and inevitable.High performance liquid chromatography coupled with mass spectrometry (MS) is very useful technique for identification impurities in...
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Interplay of hydrogen bonding and aryl-perfluoroaryl interactions in construction of supramolecular aggregates
PublicationThe stacking between aryl and perfluoroaryl units is an important class of the aromatic – aromatic interactions that has attracted rapidly growing interest in recent years. Continuing interest of our group in this subject it had been prepared three new complexes of pentafluorobenzoic acid with benzyl alcohol, 4-methylbenzyl alcohol and 4-tert-butylbenzyl alcohol and in the next step investigated their self-assembly modes by...
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Main complications connected with detection, identification and determination of trace organic constituents in complex matrix samples
PublicationIt is well known that some problems with the determination of organic analytes at trace level can occur. This issue is connected with contamination during each stage of the analytical procedure from sampling to sample preparation up to chromatographic analysis, which often leads to false-positive or overestimated results. Another problem associated with determination of analytes occurs at trace- and ultra-trace level is a background...
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Recent developments and future trends in solid phase microextraction techniques towards green analytical chemistry
PublicationSolid phase microextraction find increasing applications in the sample preparation step before chromatographic determination of analytes in samples with a complex composition. These techniques allow for integrating several operations, such as sample collection, extraction, analyte enrichment above the detection limit of a given measuring instrument and the isolation of analytes from sample matrix. In this work the information about...
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Polymeric porous membranes as solid support and protective material in microextraction processes: A review
PublicationPolymeric 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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Chemometrics approaches to green analytical chemistry procedure development
PublicationChemometric 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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Emisja rtęci z polskiej energetyki = Mercury emission from polish energy sector
PublicationEnergetyka jest głównym źródłem emisji rtęci- według krajowej inwentaryzacji emisji metali ciężkich. Jednak podawana emisja z elektrowni i elektrociepłowni spalających węgiel kamienny wydaje się być zawyżona. Najnowsze badania wykazują niższą zawartość rtęci w węglu kamiennym (50-150 ppb) niż w węglu brunatnym (120-370ppb). Istnieje zatem potrzeba weryfikacji stosowanych wskaźników emisji dla procesów spalania węgla, które służą...
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Remarks on use of the term “deep eutectic solvent” in analytical chemistry
PublicationAbout 20 years ago, Abbott and co-workers researched new solvents that were based on mixtures of choline chloride with urea and carboxylic acids and that were liquid at ambient temperature. The term “deep eutectic solvent” (DES) was later adopted for similar mixtures. As DESs have a number of interesting features, they quickly attracted the attention of researchers and found application in various branches of chemical and materials...
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Programmed metalloporphyrins for self-assembly within light-harvesting stacks: 5,15-dicyano-10,20-bis(3,5-di-tert-butylphenyl)-porphyrinato zinc(II) and its push-pull 15-N,N-dialkylamino-5-cyano congeners obtained by a facile direct amination.
PublicationThe title dicyano compound was synthesized via cyanation and it self-assembles in nonpolar solvents giving red-shifted and broad absorption maxima just as the bacteriochlorophylls which are encountered in the light-harvesting organelles of early photosynthetic bacteria. In the crystal, stacks are formed through a hierarchic combination of π-stacking and a CNZn electrostatic interaction. Push−pull 15-N,N-dialkylamino-5-cyano congeners...
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Green analytical chemistry : theory and practice
PublicationThis tutorial review summarises the current state of green analytical chemistry with special emphasis on environmentally friendly sample preparation techniques. Green analytical chemistry is a part of the sustainable development concept; its history and origins are described. Miniaturisation of analytical devices and shortening the time elapsing between performing analysis and obtaining reliable analytical results are important...
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MXene-based materials for removal of antibiotics and heavy metals from wastewater– a review
PublicationAs a novel family of 2D materials, MXenes provide an extensive variety of applications in water and effluent treatment due to their distinctive properties and attractive applicability, including superior electrical conductivity, higher thermal stability, hydrophilicity, and high sorption-reduction capacity. Their excellent sorption selectivity makes them perfect for removing hazardous contaminants. Currently, MXene-based materials...
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AGREEprep – Analytical greenness metric for sample preparation
PublicationThis 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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Excess molar volume and viscosity deviation for binary mixtures of gamma-butyrolactone with dimethyl sulfoxide
PublicationThe densities of binary liquid mixtures of dimethyl sulfoxide and gamma-butyrolactone at (293.15, 298.15, 303.15 and 313.15) K and viscosity at T=298.15 K have been measured at atmospheric pressure over theentire range of concentration. From these data the excess molar volumes VE at (293.15, 298.15, 303.15 and 313.15) K and the viscosity deviation, the excess entropy, and the excess Gibbs energy of activation for viscous flow at...
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Diethyl carbonate as a green extraction solvent for chlorophenol determination with dispersive liquid–liquid microextraction
PublicationThe 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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Chemical Composition of Atmospheric Air in Nemoral Scots Pine Forests and Submountainous Beech Forests: The Potential Region for the Introduction of Forest Therapy
PublicationStudies show that forests are one of the main recreational destinations. This can be explained by their beneficial effects on the health of their visitors, which can be attributed to compounds from the terpene group. The aim of this research was to determine the chemical composition of air in the interiors of Nemoral Scots pine forests and submountainous beech forests, with the determination of compounds of the terpene group. Samples...
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Synteza, struktura chemiczna i właściwości bezizocyjanianowych poliuretanów otrzymywanych z wykorzystaniem CO2 oraz surowców pochodzenia naturalnego.
PublicationZ uwagi na wciąż rosnącą świadomość proekologiczną, politykę zrównoważonego rozwoju, a także nurt zielonej chemii wiodącym trendem w przemyśle tworzyw sztucznych jest poszukiwanie alternatywnych metod otrzymywania materiałów polimerowych. Komercyjnie poliuretany otrzymywane są w wyniku reakcji poliaddycji di- lub poliizocyjanianów z poliolami i małocząsteczkowymi przedłużaczami łańcucha. Z uwagi na niekorzystne właściwości diizocyjanianów,...
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Chitosan-coated coconut shell composite: A solution for treatment of Cr(III)-contaminated tannery wastewater
PublicationTannery industry generates a large amount of Cr(III)-contaminated wastewater daily. Unless properly treated, not only this effluent contaminates the water body, but also damages the environment and threatens public health. This batch study investigates the feasibility of chitosan-coated coconut shells as a low-cost material for removing Cr(III) from tannery wastewater. Both chitosan and coconut shell (CS) waste are abundantly available...
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3D porous graphene-based structures- synthesis and applications
PublicationPorous carbon-based materials are of the great industrial and academic interest due to their high surface area, low density, good electrical conductivity, chemical inertness and low cost of fabrication. Up to now, the main approach to obtain porous carbon structures has involved the pyrolysis of carbonaceous natural or synthetic precursors. After the isolation of graphene, the interest in 3D porous graphene-based structures (called...