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Wyniki wyszukiwania dla: aromatic compounds
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Application of gas chromatographic data and 2D molecular descriptors for accurate global mobility potential prediction
PublikacjaMobility is a key feature affecting the environmental fate, which is of particular importance in the case of persistent organic pollutants (POPs) and emerging pollutants (EPs). In this study, the global mobility classification artificial neural networks-based models employing GC retention times (RT) and 2D molecular descriptors were constructed and validated. The high usability of RT was confirmed based on the feature selection...
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublikacjaIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Ionic Liquid Assisted Dissolution of Dissolved Organic Matter and PAHs from Soil Below the Critical Micelle Concentration
PublikacjaIncreased use and production of ionic liquids (ILs) may result in emissions into the environment. Particularly vulnerable are industrial areas and landfills where ILs are utilized and ultimately disposed of. This study investigates how IL contamination can affect soil properties and the sorption of pre-existing contaminants. The commonly used IL 1-methyl-3-octyl imidazolium chloride ([OMIM][Cl]) was added at various quantities...
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Chemical variability of Rhododendron tomentosum (Ledum palustre) essential oils and their pro-apoptotic effect on lymphocytes and rheumatoid arthritis synoviocytes
PublikacjaRhododendron tomentosum (Ledum palustre) is an aromatic plant traditionally used for alleviating rheumatic complaints which makes it a potential candidate for a natural drug in rheumatoid arthritis (RA) treatment. However, the effects of plants’ volatiles on apoptosis of synovial fibroblasts and infiltrating leucocytes of RA synovia, have not been reported. Volatile fraction of R. tomentosum is chemically variable and chemotypes...
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A screening of select toxic and essential elements and persistent organic pollutants in the fur of Svalbard reindeer
PublikacjaReindeers play an important role in the polar ecosystem, being long-lived sole vegetarians feeding on local vegetation. They can be used as a valuable bioindicator, helping us to understand contaminants’ impact on the polar terrestrial ecosystem. Still, scarce data exist from research in which polar herbivores (especially those from the European parts of the Arctic) were a major study subject for trace elements and persistent organic...
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Chemical, Aroma and Pro-Health Characteristics of Kaffir Lime Juice—The Approach Using Optimized HS-SPME-GC-TOFMS, MP-OES, 3D-FL and Physiochemical Analysis
PublikacjaThe study aimed to provide the chemical, aroma and prohealth characteristics of the kaffir lime juice. A procedure using solid-phase microextraction with gas chromatography (SPME-GC-TOFMS) was optimized and validated for the determination of terpenes of kaffir lime. Main physicochemical parameters: pH, vitamin C, citric acid and °Brix were evaluated. Micro- and macro elements were determined using microwave plasma optic emission...
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Artur Kasprzak dr hab. inż.
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Superhydrophobic sponges based on green deep eutectic solvents for spill oil removal from water
PublikacjaThe paper described a new method for crude oil-water separation by means of superhydrophobic melamine sponges impregnated by deep eutectic solvents (MS-DES). Due to the numerous potential of two-component DES formation, simple and quick screening of 156 non-ionic deep eutectic solvents using COSMO-RS (Conductor-like Screening Model for Real Solvents) computational model was used. DES which were characterized by high solubility...
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Comparing of optical properties and morphology of polyoxadiazoles with CF3 groups
PublikacjaPurpose: The aim of this paper is to compare optical properties of 4-(1,1,1,3,3,3-hexafluoro-2(-4(-3(4-(5-(4-m-tolyoxy)phenyl)-1,3,4-oxadiazol-2-yl)phenoxy)phenylcarbomyl)phenyl)propan2-yl)-N-methylbenzamide(Oxad 6F-D) and 4-(1,1,1,3,3,3-hexafluoro-2(-4-(4-(4-(5-(4-(p-tolyoxy)phenyl)-1,3,4-oxadiazol-2-yl)phenoxycarbaomyl)phenyl)propan-2-yl)-N-methylbenzamide (Oxad 6F-E).Design/methodology/approach: The Oxad 6F polymer thin films...
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Eco-friendly Route for Thermoplastic Polyurethane Elastomers with Bio-based Hard Segments Composed of Bio-glycol and Mixtures of Aromatic–Aliphatic and Aliphatic–Aliphatic Diisocyanate
PublikacjaApplication of bio-based diisocyanates with low volatility instead petrochemical diisocyanates has positive impact on environment by reduction of hazardous effects on living organisms and lead to bio-based polyurethanes (bio-PUs) with good usage properties. This work was focused on the synthesis and chosen properties examination of partially bio-based thermoplastic polyurethane elastomers (bio-PUs) obtained using diisocyanate mixtures,...
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Advanced Oxidation Processes for the Treatment of Contaminants of Emerging Concern
PublikacjaThe application of contaminants of emerging concern (CEC) such as pharmaceuticals and personal care products (PPCPs), pesticides, plasticizers, endocrine disruptors, surfactants, flame retardants and polycyclic aromatic hydrocarbons (PAHs) became an indispensable requirement of the current era. Although the CEC are useful for wide-spectrum purposes, they can also result in undesirable effects on human health and other animals....
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LC–MS/MS analysis, antioxidant and anticholinergic properties of galanga (Alpinia officinarum Hance) rhizomes
PublikacjaGalanga (Alpinia officinarum Hance) is a pungent and aromatic rhizome, which is a member of the ginger family (Zingiberaceae). The rhizomes of this plant have been used as a traditional medicine in far east countries for relieving stomach ache, invigorating the circulatory system, treating colds, and reducing swelling. The aim of this study was to investigate antioxidant and anticholinergic properties of galanga. For this purpose,...
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A new method and equipment for the detection of presence and estimation of the content of the petroleum-based fraction in lubricating oils, especially those emitted to the atmosphere
PublikacjaLubricating oil, used in cutting equipment, works in the so-called open lubrication system and is entirely emitted to the environment. When such an oil contains even a small portion of the crude oil-derived fraction, which is still very common, the oil is a serious environmental pollution. In addition, the oil mist poses a serious threat to the health of employees. Current legal regulations require users of saws and harvesters...
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A novel concept of negative CO2 emission power plant for utilization of sewage sludge
PublikacjaCarbon Capture and Storage (CSS) technology is considered an important “bridge technology”, allowing effective abatement of CO2 emissions for power units using fossil fuels. However, if biomass is used in a power plant, equipped with CCS system, negative CO2 emissions can be achieved. In practice, wide development of such technologies would enable not only reduction of CO2 emissions, but also reversal of the harm done so far. In...
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Utilization of oriented crystal growth for screening of aromatic carboxylic acids cocrystallization with urea
PublikacjaThe possibility of molecular complex formation in the solid state of urea with benzoic acid analogues was measured directly on the crystallite films deposited on the glass surface using powder X-ray diffractometry (PXRD). Obtained solid mixtures were also analyzed using Fourier transform infrared spectroscopy (FTIR). The simple droplet evaporation method was found to be efficient, robust, fast and cost-preserving approach for first...
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Compatibility of Crude Oil Blends─Processing Issues Related to Asphaltene Precipitation, Methods of Instability Prediction─A Review
PublikacjaProcessing crude oil of variable composition, especially due to the need to process crude oil blends obtained from various sources, presents a tremendous process challenge. This is mainly due to the destabilization of the colloidal system manifested mostly by the precipitation of the asphaltene fraction. The precipitation of asphaltenes from crude oil is a serious problem during extraction, transport, and processing. In the latter...
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Influence of steam cooking on pro-health properties of Small and Large variety of Momordica charantia
PublikacjaSteam cooking is one of the most common preparations of Momordicacharantia dishes. This method improved the tastiness of the fruits but at the same time, some changes occurred in the volatile and non-volatile parts of their food matrices. In this study, for the first time these properties were correlated with the found substances affecting the bioactivity of this fruit. Two varieties of Momordicacharantia were analysed and compared....