Wyszukiwarka
Filtry
wszystkich: 3518
-
Katalog
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: TOTAL IONIC CONTENT
-
Surfactants: a real threat to the aquatic geoecosystems of lobelia lakes
PublikacjaLobelia lakes are valuable elements of the natural environment. They are characterised by low trophy, mainly in-forest location and a high transparency of water. However, similarly to other surface waters, they are subjected to increasing anthropogenic pressures, a good indicator of which is the level of surfactants, also called surface-active agents (SAAs). The aim of the study was to evaluate the intensity of anthropogenic pressures...
-
Nonlinear Impedance as Possible Result of Ion-Polaron Interaction in Cu2O-Al2O3-SiO2 Glass
PublikacjaNonlinear a.c. impedance measurements were performed in Cu2O-Al2O3-SiO2 glass in wide frequency range. The obtained results shows that a large nonlinearity in the impedance signal is observed at moderate electric fields of an order 1V/mm. The contents of the third harmonics reaches about 10% and strongly depends on temperature and frequency. The investigated glass exhibits mixed electronic-ionic conductivity. Electronic conduction...
-
Solvation of ionic liquids based on N -methyl- N -alkylmorpholinium cations in N,N -dimethylformamide and N,N -dimethylacetamide – Volumetric and compressibility studies
PublikacjaDensity and sound velocity of the solutions of ionic liquids based on N-alkyl-N-methyl- morpholinium cations: N-ethyl- -methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-butyl-Nmethylmorpholinium bis(trifluoromethanesulfonyl)imide, N-octyl-N-methyl -morpholinium bis(trifluor omethanesulfonyl)imide and N-decyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide in N, N-dimethylformamide and N,N-dimethylacetamide were...
-
Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations
PublikacjaThe highest resolution vacuum ultraviolet photoabsorption spectrum of ethyl formate, C2H5OCHO, yet reported is presented over the wavelength range 115.0–275.5 nm (10.75–4.5 eV) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series, observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies...
-
Prototype of electrochemical sensor for measurements of volatile organic compounds in gases
PublikacjaThe paper presents a laboratory prototype of an electrochemical sensor for measurements of volatile organic compounds (VOCs) in gases, utilizing ionic liquids and commercial screen printed electrodes by DropSens. The following ionic liquids have been tested as the electrolyte and redox reaction environment: 1-butyl, 3-methylimidazolium dicyanoamide ([BMIM][N(CN)2]), 1-octyl, 3-methylimidazolium tetrafluoroborate ([OMIM][BF4]),...
-
Solvation of ionic liquids based on N-alkyl-N-methylmorpholinium cations in N,N-dimethylformamide and dimethyl sulfoxide – A volumetric and acoustic study
PublikacjaApparent molar volumes and molar isentropic compressibilities for N-ethyl-N-methylmorpholinium and N-decyl-N-methylmorpholinium tetrafluoroborates in N,N-dimethylformamide (DMF) and dimethyl sulfoxide (DMSO) have been determined from density and speed of sound measurements over the temperature range T = (298.15, 303.15, 308.15, 313.15, 318.15 and 328.15) K at experimental pressure p = 0.1 MPa. This data has been used to calculate...
-
Badanie aktywności online polskich konsumentów dotyczącej marek
PublikacjaRozwój nowych trendów w internecie, a w szczególności Web 2.0, spowodował wzrost społecznego zaangażowania internautów oraz dalszy rozwój kanałów społecznościowych i tym samym różnego typu platform interaktywnych. Internet zachęca internautów do interakcji z witrynami, a za ich pośrednictwem z innymi użytkownikami sieci. Umożliwia im tworzenie treści na temat różne tematy, w tym na przykład związany z markami produktów. Dzięki...
-
Ionic liquid as morphology-directing agent of two-dimensional Bi2WO6: New insight into photocatalytic and antibacterial activity
PublikacjaAn efficient and durable utilization of light to drive photocatalytic reactions still requires the overcoming of barriers. Herein, two-dimensional (2D) ultrathin IL_Bi2WO6 (IL_BWO) photocatalysts were prepared for the first time via ionic liquid-assisted hydrothermal route by adjusting the amount of tetrabutylammonium chloride [TBA][Cl], synthesis temperature and duration. IL played the role of morphology-directing agent given...
-
Studies on micellar aggregation of nonionic surfactants in imidazolium liquids
PublikacjaA number of imidazolium ionic liquids, with 2-8 carbon atoms in cation alkyl chains, and tetrafluoroborate, hexafluorophosphate, bis(trifluoromethylsulfony)imide and trifluoromethanesulfonate anions, were characterized for their ability to support micellar aggregation of nonionic surfactants in binary solutions.
-
Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study
PublikacjaFibroin–chitosan composites, especially those containing nanohydroxyapatite, show potential for bone tissue regeneration. The physicochemical properties of these biocomposites depend on the compatibility between their components. In this study, the intermolecular interactions of fibroin and chitosan were analyzed using a molecular dynamics approach. Two types of systems were investigated: one containing acetic acid and the other...
-
Effect of alkyl sulfate on the phase behavior of microemulsions stabilized with monoacylglycerols
PublikacjaIn this study the effect of an anionic surfactant (sodium dodecyl sulfate SDS) and oils (hydrocarbons: C12-C16) on the formation and phase behavior of the systems of oil/monoacylglycerols (MAG):SDS/propylene glycol/water has been investigated. The effects of the surfactant mixture on the phase behavior and the concentrationof water or oil in the systems were studied at three temperatures (50, 55, 60 C). Electrical conductivity...
-
Photocatalytic activity of solvothermal prepared BiOClBr with imidazolium ionic liquids as a halogen sources in cytostatic drugs removal
PublikacjaIn this work, the BiOClBr, as a new family of bismuth based semiconductors, was successfully applied to remove of cytostatic drugs from water under UV-Vis light irradiation. BiOCl, BiOBr and BiOClBr were synthesized using two steps solvothermal method in glycerol. The inorganic salts (KCl and KBr) and 1-butyl-3-metylimidazolium chloride (BmimCl) and 1-butyl-3-metylimidazolium bromide (BmimBr) ionic liquids (ILs) were used as the...
-
Thermal treatment of montmorillonite modified with Cd[SC(NH2)2]42+ from two polymorphic salts
PublikacjaMontmorillonite(MMT)/CdS nanocomposites can be obtained using simple ionic exchange between Na(I)-MMT and Cd[SC(NH2)2]42+∙2NO3. The resulting products may be annealed to give (MMT)/CdS nanocomposites as it was proved by XRD analysis.
-
Studies on the formation of formaldehyde during 2-ethylhexyl 4-(dimethylamino)benzoate demethylation in the presence of reactive oxygen and chlorine species
PublikacjaIn order to protect the skin from UV radiation, personal care products (PCPS) often contain chemical UV-filters. These compounds can enter the environment causing serious consequences on the water ecosystems. The aim of this study was to examine, the effect of different factors, such as UV light, the presence of NaOCl and H2O2 on the formaldehyde formation during popular UV filter, 2-ethylhexyl 4-(dimethylamino)benzoate (ODPABA)...
-
Enhancing colloidal stability of nanodiamond via surface modification with dendritic molecules for optical sensing in physiological environments
PublikacjaPre-treatment of diamond surface in low-temperature plasma for oxygenation and in acids for carboxylation was hypothesized to promote the branching density of the hyperbranched glycidol polymer. This was expected to increase the homogeneity of the branching level and suppress interactions with proteins. As a result, composite nanodiamonds with reduced hydrodynamic diameters that are maintained in physiological environments were...
-
Graph Neural Networks and Structural Information on Ionic Liquids: A Cheminformatics Study on Molecular Physicochemical Property Prediction
PublikacjaIonic liquids (ILs) provide a promising solution in many industrial applications, such as solvents, absorbents, electrolytes, catalysts, lubricants, and many others. However, due to the enormous variety of their structures, uncovering or designing those with optimal attributes requires expensive and exhaustive simulations and experiments. For these reasons, searching for an efficient theoretical tool for finding the relationship...
-
Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations
PublikacjaThe highest resolution vacuum ultraviolet photoabsorption spectrum of isobutyl formate, C5H10O2, yet reported is presented over the energy range 4.5−10.7 eV (275.5−118.0 nm) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator...
-
Novel two-step synthesis method of thin film heterojunction of BiOBr/Bi2WO6 with improved visible-light-driven photocatalytic activity
PublikacjaA novel two-step ionic liquid assisted procedure was applied for a controllable synthesis of BiOBr/Bi2WO6 heterojunction thin films. The preparation route involved an anodic oxidation of tungsten foil and hydrothermal transformation of as-anodized oxide in the presence of bismuth precursor and ionic liquid, N-butylpyridinium bromide [BPy][Br]. The BiOBr plates with irregular shapes adhered to the surface of flower-like Bi2WO6 and...
-
Application of chemometric modeling for ionic liquid-based ultrasonic-assisted dispersive liquid-liquid microextraction: Analysis of fosetyl-aluminum in fruit and vegetable samples
PublikacjaThis manuscript presents a new method for selective extraction and determination of fosetyl-aluminum in fruits and vegetable samples based on ultrasonic-assisted dispersive liquid-liquid microextraction method using ionic liquids (IL-UA-DLLME). A UV-Visible spectrophotometer was used for detection and quantification. Plants used for sample collection were grown under controlled conditions in a greenhouse. Central composite design...
-
Influence of temperature and anion type on thermophysical properties of aqueous solutions of morpholine based amino acid ionic liquids
PublikacjaDensities and sound velocities of aqueous solutions of N-butyl-N-methylmorpholine based amino acid ionic liquids (AAILs), including N-acetyl-L-alanine, N-acetyl-Lvalinate, N-acetyl-L-leucinate, and N-acetyl-L-izoleucinate anions were measured at a temperature from 293.15 to 313.15 K at 5 K intervals and atmospheric pressure. These data were used to calculate the apparent molar volumes and the apparent molar compressibilities in...
-
Green adsorbents and solvents in food analysis
PublikacjaGreen analytical chemistry aims to minimize the negative impact of analytical procedures on the environment and human health. This can be achieved through the use of non-toxic and environmentally friendly reagents. Classical green solvents include water, ethanol, acetone, and supercritical fluids. Water has been used for the extraction of water-soluble compounds (sugars, amino acids). Ethanol and acetone have been used for the...
-
Praseodymium substituted lanthanum orthoniobate: Electrical and structural properties
PublikacjaThe results of ionic transport and structural measurements for the lanthanum orthoniobate doped by praseodymium are presented and discussed. The influence of calcium co-doping on these properties has also been analyzed. The results suggest the predominant protonic conductivity for the investigated system in the whole range of investigated temperatures. The influence of calcium co-doping on phase purity is analyzed.
-
Unicyclic graphs with equal total and total outer-connected domination numbers
PublikacjaLet G = (V,E) be a graph without an isolated vertex. A set D ⊆ V (G) is a total dominating set if D is dominating and the in- duced subgraph G[D] does not contain an isolated vertex. The total domination number of G is the minimum cardinality of a total domi- nating set of G. A set D ⊆ V (G) is a total outer–connected dominating set if D is total dominating and the induced subgraph G[V (G)−D] is a connected graph. The total outer–connected...
-
Density, sound velocity, viscosity, and refractive index of new morpholinium ionic liquids with amino acid-based anions: Effect of temperature, alkyl chain length, and anion
PublikacjaIn this work, room temperature synthesis of twenty new ionic liquids (ILs) based on the N-alkyl-N-methylmorpholinium ([Mor1,R], R = 2, 3, 4, 6, 8) cation and N-acetyl-L-amino acid anions (L-alaninate, L-valinate, L-leucinate, L-isoleucinate) was described. The synthesized ILs were characterized by various spectroscopic techniques and high-resolution mass spectrometry. Furthermore, density (ρ), sound velocity (v), viscosity (η)...
-
Evaluation of Langmuir and Freundlich Isotherms for Removal of Cephalexin and Tetracycline Antibiotics By Sistan Sand from Water and Wastewater Samples
PublikacjaIn this research, Sistan sand was used as a natural and inexpensive sorbent for removal of cephalexin and tetracycline antibiotics from water and wastewater samples. For a concentration 60.0 mg L-1 of cephalexin, optimum removal conditions were: pH of the sample 3.0, adsorbent amount 1.0 g, contact time 20.0 min, added amount of sodium chloride to adjust the ionic strength of the solution 7.0 g L-1. Langmuir isotherm was the best...
-
On the relationship between the structural and volumetric properties of solvated metal ions in O-donor solvents using new structural data in amide solvents
PublikacjaThe structures of the N,N-dimethylformamide (dmf), N,N-dimethylacetamide (dma), and N,N-dimethylpropionamide (dmp) solvated strontium and barium ions have been determined in solution using large angle X-ray scattering and EXAFS spectroscopy. The strontium ion has a mean coordination number (CN) between 6.2 and 6.8, and the barium ion has a mean CN between 7.1 and 7.8 in these amide solvents. The non-integer numbers indicates that...
-
Facile formation of self-organized TiO2 nanotubes in electrolyte containing ionic liquid - ethylammonium nitrate and their remarkable photocatalytic properties
PublikacjaThe oriented TiO2 nanotube arrays (NTs) are identified as a stable, active and recyclable photocatalytic surface. However, their photoactivity is strictly depended on morphology (especially length), which could be controlled by anodic oxidation parameters, including electrolyte properties. To control the morphology, were successfully synthesized a series of NTs by a novel approach where ionic liquid (IL), ethylammonium nitrate...
-
Silica-Based Ionogels: Nanoconfined Ionic Liquid-Rich Fibers for Headspace Solid-Phase Microextraction Coupled with Gas Chromatography–Barrier Discharge Ionization Detection
PublikacjaIn this work, hybrid silica-based materials with immobilized ionic liquids (ILs) were prepared by sol–gel technology and evaluated as solid-phase microextraction (SPME) fiber coatings. High loadings of the IL 1-methyl-3-butylimidazolium bis(trifluoromethylsulfonyl)imide ([C4MIM][TFSI]) were confined within the hybrid network. Coatings composition and morphology were evaluated using scanning electron microscopy and energy dispersive...
-
Lubricant property and rolling contact fatigue test of oil-in-water emulsion type HFA-E and oil Total Azolla 46 as working liquids in hydraulic systems
PublikacjaW artykule scharakteryzowano i opisano wyniki badań własności smarnych wody destylowanej, emulsji wodno-olejowej typu HFA-E (1% oleju w wodzie) sporządzonej na bazie koncentratu Isosynth VX110BF, oleju Total Azolla 46 i samego koncentratu Isosynth VX110BF (tylko dla porównania z olejem, emulsją i wodą). W artykule pokazano wyniki badań pittingu z użyciem wody, emulsji i oleju jako środków smarnych. Ponadto w artykule przedstawiono...
-
Ionogel fibres of bis(trifluoromethanesulfonyl)imide anion-based ionic liquids for the headspace solid-phase microextraction of chlorinated organic pollutants
PublikacjaIonogels, a family of hybrid materials in which ionic liquids (ILs) are confined in a sol–gel network, are receiving much attention in a variety of scientific and technological fields. In this work, ionogels derived from three different ILs based on the anion bis(trifluoromethanesulfonyl)imide (TFSI), namely 1-butyl- 3-methylpyridinium bis(trifluoromethanesulfonyl)imide ([C4C1Py][TFSI]), 1-butyl-1-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide...
-
Thermal and Chemical Expansion in Proton Ceramic Electrolytes and Compatible Electrodes
PublikacjaThis review paper focuses on the phenomenon of thermochemical expansion of two specific categories of conducting ceramics: Proton Conducting Ceramics (PCC) and Mixed Ionic-Electronic Conductors (MIEC). The theory of thermal expansion of ceramics is underlined from microscopic to macroscopic points of view while the chemical expansion is explained based on crystallography and defect chemistry. Modelling methods are used to predict...
-
Partial Molar Volumes of Tetrabutylammonium Perchlorate and Tetraphenylborate in N,N-dimethyl-acetamide, Triethylphosphate and Dimethyl Sulfoxide
PublikacjaThe densities of tetrabutylammonium perchlorate and tetrabutylammonium tetraphenylborate solutions in N,N-dimethylacetamide, acetonitrile, triethylphosphate, and dimethyl sulphoxide have been measured over the whole electrolyte concentration range at 20, 25, and 30°C. From these densities apparent molar volumes and partial molar volumes of the salts at infinite dilution have been evaluated and used to determine the respective...
-
New ceramic materials derived from pyrolyzed poly(1,2-dimethylsilazane) and starch as a potential anode for Li-ion batteries
PublikacjaNewmaterialswere obtained by pyrolysis of starch (S) and poly(1,2-dimethylsilazane) (PSN) (weight ratio: PSN/S 30/70) at temperature a) 500 °C, b) 700 °C and c) 900 °C. Ceramic materials were characterized by infrared spectroscopy, TGA, Raman spectroscopy and SEM. New Si\O and shifted Si\C stretching vibration modes emerged confirming direct interaction between silicon originating fromsilazane and oxygen coming fromstarch. The...
-
Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy
PublikacjaThe thermally induced self-healing mechanisms in metallopolymers based on bisterpyridine complexes of iron(II) sulfate and cadmium(II) bromide, respectively, were studied by means of combined quantum mechanical/molecular mechanical (QM/MM) simulations and Raman spectroscopy. Two possible healing schemes, one based on a decomplexation of the cross-linking complexes and a second one relying on the dissociation of ionic clusters,...
-
Total chromatic sum for trees
PublikacjaThe total chromatic sum of a graph is the minimum sum of colors (natural numbers) taken over all proper colorings of vertices and edges of a graph. We provide infinite families of trees for which the minimum number of colors to achieve the total chromatic sum is equal to the total chromatic number. We construct infinite families of trees for which these numbers are not equal, disproving the conjecture from 2012.
-
New methodology for determination cationic surfactants in liquid environmental samples
PublikacjaBecause of their specific physical and chemical properties (e.g. amphiphilicity, solubility in polar and nonpolar liquids, ability to form micelles, adsorption at phase boundaries, low toxicity) surfactants (surface-active compounds) are widely applied in industry and in the household. As their applications are on a very large scale, it has become necessary to acquire a more detailed understanding of their environmental fate. Mainly,...
-
Studies on applicability of new solid-phase microextraction and determination of short - chain monocarboxylic acids
PublikacjaA convenient approach to monitor the short-chain monocaroboksylic acids (SCAMs) in different samples is gas chromatography (GC) preceded by sample preparation based on solid-phase microextraction (SPME). The fiber with polar coatings were used to extract the SCAMs from headspace of liquid and solid samples. Recently polimeric ionic liquid (PIL) fiber coatings have been proposed to extract volatile organic compounds, minly polar...
-
Separation of Volatile Oxygen-containing Organic Compounds by Gas Chromatography - selectivity comparison of different polarity stationary phases
PublikacjaThis paper present a results of the separation of 36 reference compounds belonging to the group of Volatile Oxygen-Containing Organic Compounds (OVOCs) using capillary gas chromatography with flame ionization detector (GC-FID) and three stationary phases of different polarity. A selectivity has been studied regarding to OVOCs and n -alkanes. The most useful for the separation of the group OVOCs is a polar ionic liquid stationary...
-
A prototype of electrochemical sensor for measurement of carbonyl compounds in air
PublikacjaThe paper presents the results of investigation on a prototype sensor for measurement of benzaldehyde and formaldehyde in air. Sensitivity, limit of quantification and coefficient of selectivity of the sensor have been determined as a function of membrane thickness and electrode type using square wave voltammetry (SWV) technique. The working and counter electrodes were made of platinum and gold. Ionic liquids 1-hexyl, 3-methylimidazolium...
-
THERMION-C2S_10 Ionic thermoelectri effect in the phase transition in Cu2Se
Dane BadawczeThe dataset contains results of measurements of the ionic thermoelectric effect in copper selenide with Cu1.99Se and Cu1.8Se compositions. X-Ray diffraction data, SEM images and EDX spectra of the samples are also in the dataset.
-
TOTAL QUALITY MANAGEMENT COPY
Kursy Online -
The influence of ILs on TiO2 microspheres activity towards 5-FU removal under artificial sunlight irradiation
PublikacjaIn this work, the effect of various ionic liquids (ILs), namely, choline chloride [Chol][Cl], hexadecylpyridynium chloride [HDPy][Cl], and tributylmethylammonium chloride [TBMA][Cl], on the morphology, surface compo-sition in relation to photocatalytic oxidation of 5-fluorouracil (5-FU) and phenol in the presence of TiO2 pho-tocatalysts under artificial sunlight conditions was investigated. The highest photoactivity towards cytostatic...
-
A method for the analysis of methylmercury and total Hg in fungal matrices
PublikacjaThe aim of the study was to develop an efficient method for the determination of monomethyl-mercury (MeHg) and total mercury (THg) content in materials such as fungal sporocarps and sclerotia. Certified Reference Materials (CRMs) with the assigned values of MeHg and THg as well as the control materials (dried mushrooms) with known content of THg were evaluated for method validation. Recovery of MeHg from reference materials was...
-
TOTAL DOMINATION MULTISUBDIVISION NUMBER OF A GRAPH
PublikacjaThe domination multisubdivision number of a nonempty graph G was defined in [3] as the minimum positive integer k such that there exists an edge which must be subdivided k times to increase the domination number of G. Similarly we define the total domination multisubdivision number msd_t (G) of a graph G and we show that for any connected graph G of order at least two, msd_t (G) ≤ 3. We show that for trees the total domination...
-
Electrochemical sensor for measurement of volatile organic compounds employing square wave perturbation voltage
PublikacjaThe paper presents the results of investigation on a prototype sensor for measurement of benzaldehyde in air. Sensitivity and limit of quantification of the sensor were determined for different internal electrolyte using the square wave voltammetry (SWV) as a detection technique. The working and counter electrodes were made of platinum. Ionic liquids 1-hexyl, 3-methylimidazolium chloride,1-hexyl, 3-methylimidazolium bis (trifluoromethanesulfonyl)...
-
Vibrational Properties of LaNb0.8M0.2O4-δ (M=As, Sb, V, and Ta)
PublikacjaLaNb0.8M0.2O4-δ (where M=As, Sb, V, and Ta) oxides with pentavalent elements of different ionic sizes were synthesized by a solid-state reaction method. The vibrational properties of these oxides have been investigated. These studies revealed that the substituent element influences both Debye temperature value as well as the Raman active vibrational modes. Additionally, the low-temperature vibrational properties of LaNb0.8Sb0.2O4-δ...
-
Some Progress on Total Bondage in Graphs
PublikacjaThe total bondage number b_t(G) of a graph G with no isolated vertex is the cardinality of a smallest set of edges E'⊆E(G) for which (1) G−E' has no isolated vertex, and (2) γ_t(G−E')>γ_t(G). We improve some results on the total bondage number of a graph and give a constructive characterization of a certain class of trees achieving the upper bound on the total bondage number.
-
A note on total reinforcement in graphs
PublikacjaIn this note we prove a conjecture and inprove some results presendet in a recent paper of N. Sridharan, M.D. Elias, V.S.A. Subramanian, Total reinforcement number of a graph, AKCE Int. J. Graphs Comb. 4 (2) (2007) 197-202.
-
Head-Space SPME for the Analysis of Organophosphorus Insecticides by Novel Silica IL-Based Fibers in Real Samples
PublikacjaThis work demonstrates the suitability of a newly developed ionic liquid (IL)-based silica SPME fiber for the determination of seven organophosphorus insecticides in cucumber and grapefruit samples by headspace solid-phase microextraction (HS-SPME) with a gas chromatography–flame ionization detector (FID). The sol-gel method released four different sorbent coatings, which were obtained based on a silica matrix containing ILs immobilized...
-
In silico modelling for predicting the cationic hydrophobicity and cytotoxicity of ionic liquids towards the Leukemia rat cell line, Vibrio fischeri and Scenedesmus vacuolatus based on molecular interaction potentials of ions
PublikacjaIn this study we present prediction models for estimating in silico the cationic hydrophobicity and the cytotoxicity (log [1/EC50]) of ionic liquids (ILs) towards the Leukemia rat cell line (IPC-81), the marine bacterium Vibrio fischeri and the limnic green algae Scenedesmus vacuolatus using linear free energy relationship (LFER) descriptors computed by COSMO calculations. The LFER descriptors used for the prediction model (i.e....