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Search results for: ACCELERATED SOLVENT EXTRACTION
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Fast Antenna Optimization Using Gradient Monitoring and Variable-Fidelity EM Models
PublicationAccelerated simulation-driven design optimization of antenna structures is proposed. Variable-fidelity electromagnetic (EM) analysis is used as well as the trust-region framework with limited sensitivity updates. The latter are controlled by monitoring the changes of the antenna response gradients. Our methodology is verified using three compact wideband antennas. Comprehensive benchmarking demonstrates its superiority over both...
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The significance of the properties of water for the working cycle of the kinesin molecular motor
PublicationExplicit solvent molecular dynamics simulations were performed in this study to investigate and discuss several aspects of the influence of the properties of water on the working cycle of a molecular motor from the kinesin superfamily. The main objects of attention were: the binding of the neck linker and the association of the kinesin and the tubulin. The docking of the neck linker is considered a crucial event during the working...
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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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Application of chemometric techniques in studies of toxicity of selected commercially available products for infants and children
PublicationThe goal of the present study is to assess the impact of the experimental conditions for extraction procedures (time of extraction, thermal treatment and type of extraction media) as applied to several baby and infant products checked for their possible ecotoxicological response when tested by various ecotoxicity tests(Microtox®, Ostracodtoxkit F™and Xenoscreen YES/YAS™). The systems under consideration are multidimensional by...
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Wykorzystanie sztucznych sieci neuronowych do wykrywania i rozpoznawania tablic rejestracyjnych na zdjęciach pojazdów
PublicationW artykule przedstawiono koncepcję algorytmu wykrywania i rozpoznawania tablic rejestracyjnych (AWiRTR) na obrazach cyfrowych pojazdów. Detekcja i lokalizacja tablic rejestracyjnych oraz wyodrębnienie z obrazu tablicy rejestracyjnej poszczególnych znaków odbywa się z wykorzystaniem podstawowych technik przetwarzania obrazu (przekształcenia morfologiczne, wykrywanie krawędzi) jak i podstawowych danych statystycznych obiektów wykrytych...
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Fast EM-Driven Parameter Tuning of Microwave Circuits with Sparse Sensitivity Updates via Principal Directions
PublicationNumerical optimization has become more important than ever in the design of microwave components and systems, primarily as a consequence of increasing performance demands and growing complexity of the circuits. As the parameter tuning is more and more often executed using full-wave electromagnetic (EM) models, the CPU cost of the overall process tends to be excessive even for local optimization. Some ways of alleviating these issues...
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PBDEs in environmental samples: Sampling and analysis
PublicationThe paper reviews the subject literature concerning analytical procedures routinely sed for monitoring polybrominated diphenyl ethers (PBDE) in environmental samples. It describes and summarizes subsequent stages of analytical procedure including sample collection and preparation, extraction, clean-up and final determination. Different approaches with their advantages and limitations are presented. Special attention is drawn to...
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Isolation and some properties of collagen from the backbone of Baltic cod(Gadus morhua)
PublicationOssein from Baltic cod backbone was obtained after extraction of non-collagenous protein with 0.1 M NaOH solution and demineralization with 1.0 M HCl solution. The extractions were performed at 4 C for24, 48 and 72 h using a solid/solution ratio from 1:4 to 1:8 (w/v). After 48 h of extraction in 0.5 M acetic acid only about 25% of collagen was dissolved. After 48 h of extraction at optimal concentration of pepsin(4 mg/g ossein)...
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Organic and conventional kiwifruit, myths versus reality: antioxidant, antiproliferative and helth effects
PublicationComparison between organic and conventional kiwifruit cultivars 'Hayward' and 'Bidan', which was done by four radical scavenging assays, ESI-MS, and DSC measurements, showed significant differences between the cultivars. Such results were not estimated in kiwifruit growing under organic and conventional conditions. The extraction of bioactive compounds was done by two different methods: sequential extraction with ethyl acetate...
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Direct solid phase microextraction combined with gas chromatography – Mass spectrometry for the determination of biogenic amines in wine
PublicationA direct method based on immersion solid phase microextraction (DI-SPME) gas chromatography mass-spectrometry (GC-MS) was optimized and validated for the determination of 16 biogenic amines in Polish wines. In the analysis two internal standards were used: 1,7-diaminoheptane and bis-3-aminopropylamine. The method allows for simultaneous extraction and derivatization, providing a simple and fast mode of extraction and enrichment....
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Application of modern sample-preparation techniques to the determination of chloropropanols in food samples
PublicationChloropropanols are heat-induced food toxicants that recently caused concern among industrial and scientific experts. World and European organizations related to food safety asked researchers to investigate mitigation strategies regarding these contaminants. The essential objective of this project was development of fast analytical methods enabling reliable determination and quantification of 3-monochloropropane-1,2-diol, 2-monochloropropane-1,3-diol...
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Experimental examination and modification of chip suction system in circular sawing machine
PublicationThe article presents the results of experimental examination of the wood chip suction system in the existing sliding table saw before and after its modifi cation. The studies focused on the extraction hood of the mentioned system. The methodical experimental research of the pressure distribution inside the hood during wood chip removal for the selected rotational speed of saw blades of 3500 and 6000 min-1 with a diameter of 300...
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A comprehensive review on current and emerging technologies toward the valorization of bio‐based wastes and by products from foods
PublicationIndustries in the agro-food sector are the largest generators of waste in the world. Agro-food wastes and by products originate from the natural process of senescence, pretreatment, handling, and manufacturing processes of food and beverage products. Notably, most of the wastes are produced with the transformation of raw materials (such as fruits, vegetables, plants, tubers, cereals, and dairy products) into different processed...
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Determination of antifreeze substances in the airport runoff waters by solid-phase microextraction and gas chromatography–mass spectrometry method
PublicationA new method has been developed for the determination of antifreeze agents such as ethylene glycol (EG), propylene glycol (PG), and diethylene glycol (DEG) in the samples of airport runoff water. The method is based on headspace solid–phase microextraction (HS–SPME) of target analytes, which is coupled with gas chromatography–mass spectrometry (GC–MS). Until now, there was a lack of appropriate methodology for collecting reliable...
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Problem of proper decomposition and initialization of acoustic and entropy modes in a gas affected by the mass force
PublicationThe relations connecting perturbations specific for acoustic and entropy modes in an accelerated fluid or in a fluid affected by constant mass force, are derived. They allow to decompose the total vector of perturbations and the overall energy into acoustic and non-acoustic parts uniquely at any instant. In order to do this, three quantities are required, for example total perturbations in entropy, pressure and velocity. The evaluations...
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Multilevel Converters
PublicationThe newest Special Section is intended to focus on recent research and trends in application of multilevel converters. Multilevel converters have been extensively developed over the last two decades and show several important advantages of power electronic circuits, such as: operation at high voltages, harmonics reduction, higher efficiency, modularity, smaller size and lower cost. Also, thanks to increasing interest in renewable...
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Chemical structures, rheological and physical properties of biopolyols prepared via solvothermal liquefaction of Enteromorpha and Zostera marina biomass
PublicationIn this work, liquefied biomass from the Baltic Sea was used for the preparation of rigid polyurethane (PUR) foams. The biomass contained 10 wt% of Enteromorpha macroalgae and 90 wt% of Zostera marina seagrass characterized by a high content of cellulose. The influence of time, temperature and the type of solvent on the efficiency of the liquefaction process and properties of biopolyols was determined. Obtained materials were analyzed...
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Direct injection liquid chromatography-mass spectrometry (DI-LC-MS) analysis for rapid lipidomic profiling of extracellular vesicles
PublicationExtracellular vesicles (EVs) are small, spherical particles produced by eukaryotic and prokaryotic cells, surrounded by a bilayer membrane and carrying various bioactive molecules, such as proteins, surface receptors, membrane and soluble proteins, lipids, and nucleic acids. EVs are of substantial interest because of their important roles in cell communication, epigenetic regulation and possible application in disease diagnosis...
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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublicationThe importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized...
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Principles and Developments of Solid-Phase Microextraction
PublicationSample preparation has been commonly considered a critical step of the analytical process. In this sense, remarkable efforts have been made to develop efficient sample preparation techniques which could overcome the limitations of conventional approaches. Since its inception in the early 1990’s, solid-phase microextraction (SPME) has become a widespread miniaturized sample preparation technique for extraction and preconcentration...
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Environmental risk- based ranking of solvents by the combination of multimedia model and multi-criteria decision analysis
PublicationA novel procedure for assessing the environmental risk related to solvents emissions has been developed. The assessment of risk is based on hazard and exposure detailed investigations. The potential exposure related to different environmental phases is calculated with basic multimedia model, that gives the percentage distribution of solvent in environmental compartments as a result. Specific hazards– toxicological, environmental...
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A procedure for the determination of dichloromethane and tetrachloroethene in water using pervaporation and gas chromatography
PublicationIn the present study, pervaporation was applied to the determination of tetrachloroethene (PCE) and dichloromethane (DCM) in liquid samples. PCE is the most commonly used solvent in dry-cleaning processes. PCE belongs to group 2A of carcinogens (probably carcinogenic to humans) according to the classification of the International Agency for Research on Cancer (IARC). DCM is also widely used as an industrial solvent for the purification...
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Hybrid cross-linked chitosan/protonated-proline:glucose DES membranes with superior pervaporation performance for ethanol dehydration
PublicationThis work explores a protonated L-proline:glucose (molar ratio 5:1) deep eutectic solvent (DES) in fabricating biopolymer membranes utilizing chitosan (CS). Initially, the miscibility of CS and DES to prepare homogeneous dense blend membranes has been investigated. Different techniques, such as scanning electron microscopy, contact angle (CA), atomic force microscopy (AFM), Fourier transformed infrared spectroscopy (FTIR) and swelling...
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Remote Health Monitoring of Wind Turbines Employing Vibroacoustic Transducers and Autoencoders
PublicationImplementation of remote monitoring technology for real wind turbine structures designed to detect potential sources of failure is described. An innovative multi-axis contactless acoustic sensor measuring acoustic intensity as well as previously known accelerometers were used for this purpose. Signal processing methods were proposed, including feature extraction and data analysis. Two strategies were examined: Mel Frequency Cepstral...
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Green products from herbal medicine wastes by subcritical water treatment
PublicationHerbal medicine wastes (HMWs) are byproducts of medicine factories, which are mainly landfilled for their environmental problems. Only bearing in mind the contamination and concerns caused by the COVID-19 pandemic and environmental emissions, the worth of herbal medicine wastes management and conversion to green products can be understood. In this work, subcritical water treatment was carried out batch-wise in a stainless tube...
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Application of response surface methodology to optimize solid-phase microextraction procedure for chromatographic determination of aroma-active monoterpenes in berries
PublicationMost of scientific papers concern the qualitative or semi-quantitative analysis of aroma-active terpenes in liquid food matrices. Therefore, the procedure based on solid-phase microextraction and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry for determination of monoterpenes in fresh berries was developed. The optimal extraction conditions using divinylbenzene-carboxen-polydimethylsiloxane fiber...
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A new dilution-enrichment sample preparation strategy for expanded metabolome monitoring of human breast milk that overcomes the simultaneous presence of low- and high-abundance lipid species
PublicationThe complex nature of human breast milk (HBM) makes samples difficult to analyze, requiring several extraction techniques and analytical platforms to obtain high metabolome coverage. In this work, we combined liquid-liquid extraction (LLE) and solid-phase extraction (SPE) techniques to prepare HBM samples to overcome the challenge of low- and high-abundance lipid species, enabling the semiquantitative analysis of total HBM lipids...
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Molecular basis of the osmolyte effect on protein stability: a lesson from the mechanical unfolding of lysozyme
PublicationOsmolytes are a class of small organic molecules that shift the protein folding equilibrium. For this reason, they are accumulated by organisms under environmental stress, and find applications in biotechnology where proteins need to be stabilized or dissolved. However, despite years of research, debate continues over the exact mechanisms underpinning the stabilizing and denaturing effect of osmolytes. Here, we simulated the mechanical...
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublicationIn 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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Unusual Influence of Fluorinated Anions on the Stretching Vibrations of Liquid Water
PublicationInfrared (IR) spectroscopy is a commonly used and invaluable tool in the studies of solvation phenomena in aqueous solutions. Concurrently, ab initio molecular dynamics (AIMD) simulations deliver the solvation shell picture at a molecular detail level and allow for a consistent decomposition of the theoretical IR spectrum into underlying spatial correlations. Here, we demonstrate how the novel spectral decomposition techniques...
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Application of deep eutectic solvents (DES) in analytical chemistry
PublicationRecent years have been associated with efforts to reduce the impact on the natural environment. A greener approach has been introduced in various areas of science, including analytical chemistry. One of the basic procedures for preparing a sample for analysis is its extraction. Traditional methods involve the use of large amounts of organic compounds, often toxic, with an unfavorable impact on the environment. A representative...
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Perspectives on the replacement of harmful organic solvents in analytical methodologies: a framework toward the implementation of a generation of eco-friendly alternatives
PublicationVolatile organic solvents derived from non-renewable fossil feedstocks are commonplace in analytical laboratories. In spite of their convenient performance in countless unit operations, their environmental, health and safety issues represent a major area of concern. The progressive replacement of organic solvents obtained from fossil resources by eco-friendly alternatives would involve remarkable advances within the framework of...
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CLICK 'n' Sleep: Light-Switch Behavior of Triazole-Containing Tris(bipyridyl)ruthenium Complexes
PublicationA set of RuII complexes incorporating triazole subunits are presented. They show a solvent-dependent light-switch effect. Theoretical calculations revealed the excited states involved in the emission process. The findings are highly important for future design of light-switch sensors and suggest a severe restriction for functional photomolecular devices synthesized by CLICK chemistry.
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Chip suction system in circular sawing machine: empirical research and computational fluid dynamics numerical simulations
PublicationThe experimental analysis of the wood chip removing system during its redesigning in the existing sliding table circular saw and computational fluid dynamic (CFD) numerical simulations of the air flow process is presented in the paper. The attention was focused on the extraction hood and the bottom shelter of the actual existing system. The main aim was to perform experimental research on the pressure distribution inside the...
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Effect of Laminar Pulsatile Fluid Flow on Separation of Volatile Organic Compounds from Aqueous Solution by a Hollow Fiber Membrane-Based Process
PublicationIn this study, a laminar pulsatile fluid flow was used for the separation of benzene, toluene, ethylbenzene, and xylene isomers (BTEX) from aqueous solutions. Polyether sulfone hollow fiber membrane has been applied to this process. The effects of BTEX concentration, and feed and extraction flow rates were examined. It was found that the application of the pulsatile fluid flow with...
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CYP3A4 overexpression enhances apoptosis induced by anticancer agent imidazoacridinone C-1311, but does not change the metabolism of C-1311 in CHO cells
PublicationWe examine whether CYP3A4 overexpression influences the rate and pattern of antitumor imidazoacridinone C-1311 metabolism, in relation to the impact of this overexpression on cell cycle progression and final cellular response of CHO cells following C-1311 treatment. Methods: Three CHO cell lines: CHO-WT, wild type, CHO-HR, overexpressing cytochrome P450 reductase (CPR) and CHO-HR-3A4, coexpressing CPR and CYP3A4 were applied....
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<i>N,N</i>'-diphenylthiourea acetone monosolvate
PublicationIn the title compound, C13H12N2S·C3H6O, the phenyl rings of the thiourea molecule are in syn and anti positions in relation to the C=S bond. Two molecules are connected by N-HS=C hydrogen bonds into a centrosymmetric dimer. An additional N-HO=C hydrogen bond to the acetone solvent molecule and some weak C-H interactions reinforce the crystal structure.
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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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Fast multi-criterial statistical analysis and design optimization of compact microwave couplers
Publication—A rapid statistical analysis and yield estimation of compact microwave couplers involving multiple performance parameters has been presented. The analysis is realized using a fast surrogate model representing appropriate characteristic points of the coupler response. Because of less nonlinear dependence of the characteristic points on the structure geometry (compared to the original response, i.e., S-parameters vs. frequency),...
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Solvation of ionic liquids based on N-alkyl-N-methylmorpholinium cations in N,N-dimethylformamide and dimethyl sulfoxide – A volumetric and acoustic study
PublicationApparent 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...
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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublicationDensity functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFTMD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in...
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Sample preparation techniques for determination of pesticide residues in food samples
PublicationPesticides are very important in increasing the efficiency and quality of agricultural production. They are applied in many spheres of life, not only in agriculture, and their applications are expanding. Despite their numerous merits, pesticides are some of the most toxic substances contaminating our environment and have a negative impact on the human health. Properties of pesticides such as stability, ability to bioaccumulation...
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Hydrophobic deep eutectic solvents in microextraction techniques–A review
PublicationOver the past decade, deep eutectic solvents (DES) have been widely studied and applied in sample preparation techniques. Until recently, most of the synthesized DES were hydrophilic, which prevented their use in the extraction of aqueous samples. However, after 2015 studies on the synthesis and application of hydrophobic deep eutectic solvents (HDES) has rapidly expanded. Due to unique properties of HDES i.e. density, viscosity,...
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Experimental and Theoretical Screening for Green Solvents Improving Sulfamethizole Solubility
PublicationSolubility enhancement of poorly soluble active pharmaceutical ingredients is of crucial importance for drug development and processing. Extensive experimental screening is limited due to the vast number of potential solvent combinations. Hence, theoretical models can offer valuable hints for guiding experiments aimed at providing solubility data. In this paper, we explore the possibility of applying quantum-chemistry-derived...
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Characterization of novel trehalose synthase from Deinococcus geothermalis.
PublicationThe method of trehalose extraction from yeast or othernatural sources is unsuitable for industrial production becauseof its low yield and high cost. Thus, the trehalose synthesizingenzyme systems that originated from a few microorganisms have been investigated.
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Application of gas chromatography to the analysis of spirit-based alcoholic beverages
PublicationSpirit-based beverages are alcoholic drinks, which production processes are dependent on the type and origin of raw materials. The composition of this complex matrix is difficult to analyze and scientists commonly choose a gas chromatography techniques for this reason. With a wide selection of extraction methods and detectors it is possible to provide qualitative and quantitative analysis for many chemical compounds with a various...
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Rapid Characterization of the Human Breast Milk Lipidome Using a Solid-Phase Microextraction and Liquid Chromatography-Mass Spectrometry-Based Approach.
PublicationHuman breast milk (HBM) is a biofluid consisting of various biomolecules such as proteins, lipids, carbohydrates, minerals and bioactive substances. Due to its unique and complex composition, HBM provides not only nutritional components required for the growth of the infant, but also additional protection against infections. Global insight into the composition of HBM is crucial to understanding the health benefits infants receive...
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Systematic Literature Review for Emotion Recognition from EEG Signals
PublicationResearchers have recently become increasingly interested in recognizing emotions from electroencephalogram (EEG) signals and many studies utilizing different approaches have been conducted in this field. For the purposes of this work, we performed a systematic literature review including over 40 articles in order to identify the best set of methods for the emotion recognition problem. Our work collects information about the most...
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Ultrasound-Assisted Dispersive Liquid-Liquid Microextraction Using Deep Eutectic Solvents (DESs) for Neutral Red Dye Spectrophotometric Determination
PublicationDeep eutectic solvents (DES), which have low toxicity and are low cost, biodegradable, and easily synthesized, were used for the extraction of neutral red (NR) dye before its spectrophotometric analysis. DES, containing choline chloride as a hydrogen bond acceptor and phenol as a hydrogen bond donor with a molar ratio of 1:2, was used for the extraction of NR dye from aqueous media. The possible interaction of different DESs with...
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Systematic Literature Review for Emotion Recognition from EEG Signals
PublicationResearchers have recently become increasingly interested in recognizing emotions from electroencephalogram (EEG) signals and many studies utilizing different approaches have been conducted in this field. For the purposes of this work, we performed a systematic literature review including over 40 articles in order to identify the best set of methods for the emotion recognition problem. Our work collects information about the most...