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Wyniki wyszukiwania dla: SUPRAMOLECULAR SOLVENT
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Techno-economic evaluation of combined cycle gas turbine and a diabatic compressed air energy storage integration concept
PublikacjaMore and more operational flexibility is required from conventional power plants due to the increasing share of weather-dependent renewable energy sources (RES) generation in the power system. One way to increase power plant’s flexibility is integrating it with energy storage. The energy storage facility can be used to minimize ramping or shutdowns and therefore should lower overall generating costs and CO2 emissions. In this article,...
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Ionic liquids in extraction techniques: Determination of pesticides in food and environmental samples
PublikacjaThe intensive use of pesticides in agricultural practices has promoted the appearance of environmentaland public health problems. Due to that, scientists face challenges with developing simple, fast, sensitive,selective, and low-cost methods dedicated to determining pesticide residues in food and environmentalsamples. Following thefifth principle of Green Analytical Chemistry, chemists are searching for greeneralternatives for...
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Multicomponent ionic liquid CMC prediction
PublikacjaWe created a model to predict CMC of ILs based on 704 experimental values published in 43 publications since 2000. Our model was able to predict CMC of variety of ILs in binary or ternary system in a presence of salt or alcohol. The molecular volume of IL (Vm), solvent-accessible surface (Sˆ), solvation enthalpy (DsolvGN), concentration of salt (Cs) or alcohol (Ca) and their molecular volumes (Vms and Vma, respectively) were chosen...
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Why do G-quadruplexes dimerize through the 5’-ends? Driving forces for G4 DNA dimerization examined in atomic detail
PublikacjaG-quadruplexes (G4) are secondary structures formed by guanine-rich nucleic acid sequences and shown to exist in living cells where they participate in regulation of gene expression and chromosome maintenance. G-quadruplexes with solvent-exposed guanine tetrads show the tendency to associate together through cofacial stacking, which may be important for packaging of G4-forming sequences and allows for the design of higher-order...
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Indirect Determination of MCPD Fatty Acid Esters in Lipid Fractions of Commercially Available Infant Formulas for the Assessment of Infants’ Health Risk
PublikacjaMCPD esters are intensively investigated food lipid contaminants for over a decade. Concern related to their presence in various types of food products is related to the fact that possible free MCPD release from its esterified form during digestion may lead to elevated daily intake of these toxicants.Special attention should be devoted into powdered infant formulas, which contain significant amounts of refined vegetable oils, likely...
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The influence of reactions conditions on aggregation of dyes used in biochemistry
PublikacjaSelf-association of dyes and related substances is a very important phenomenon in many fields of applied chemistry. It is also fundamental model reaction of many kinds of molecular interactions such as the micelle formation of amphiphilic substances and the binding of small organic molecules to macromolecules. In spite of many studies concerning the dimerization equilibria of dyes and related substances, the mechanism seems not...
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Shape memory thin films of Polyurethane: Does graphene content affect the recovery behavior of Polyurethane nanocomposites?
PublikacjaThin nanocomposite films of polyurethane have received remarkable attention due to their shape memory properties. As most of the reports focus on the beneficial aspects of the presence of nanofillers such as graphene nanoplatelets (GNPs) introduced into shape memory polymers, some research results reveal the opposite trend. The polyether/polyester-based polyurethane was synthesized through a condensation polymerization and the...
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Synthesis and structural characterization of bio-based bis(cyclic carbonate)s for the preparation of non-isocyanate polyurethanes
PublikacjaBio-based cyclic carbonates are of significant research interest as monomers for non-isocyanate polyurethane (NIPU) synthesis. This research describes the synthesis of a series of five-membered bis(cyclic carbonate)s using bio-based polyether polyols (PO3G) with different molecular weights (250, 650 and 1000 g mol−1) and carbon dioxide as green feedstocks. The utilization of CO2 as a source of carbon in the chemical reaction is...
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Ionic liquids for nano- and microstructures preparation. Part 1: Properties and multifunctional role
PublikacjaIonic liquids (ILs) are a broad group of organic salts of varying structure and properties, used in energy conversion and storage, chemical analysis, separation processes, as well as in the preparation of particles in nano- and microscale. In material engineering, ionic liquids are applied to synthesize mainly metal nanoparticles and 3D semiconductor microparticles. They could generally serve as a structuring agent or as a reaction...
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Hydration of amino acids: FTIR spectra and molecular dynamics studies
PublikacjaThe hydration of selected amino acids, alanine, glycine, proline, valine, isoleucine and phenylalanine, has been studied in aqueous solutions by means of FTIR spectra of HDO isotopically diluted in H2O. The difference spectra procedure and the chemometric method have been applied to remove the contribution of bulk water and thus to separate the spectra of solute-affected HDO. To support interpretation of obtained spectral results,...
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Effective assessment of biopolymer-based multifunctional sorbents for the remediation of environmentally hazardous contaminants from aqueous solutions
PublikacjaPersistent contaminants in wastewater effluent pose a significant threat to aquatic life and are one of the most significant environmental concerns of our time. Although there are a variety of traditional methods available in wastewater treatment, including adsorption, coagulation, flocculation, ion exchange, membrane filtration, co-precipitation and solvent extraction, none of these have been found to be significantly cost-effective...
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Detection of impulsive disturbances in archive audio signals
PublikacjaIn this paper the problem of detection of impulsive disturbances in archive audio signals is considered. It is shown that semi-causal/noncausal solutions based on joint evaluation of signal prediction errors and leave-one-out signal interpolation errors, allow one to noticeably improve detection results compared to the prediction-only based solutions. The proposed approaches are evaluated on a set of clean audio signals contaminated...
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Eye-tracking Web Usability Research
PublikacjaIn this paper we present the results of a study that aims to evaluate the usability of three selected web services, based on eye–tracking and thinking aloud techniques. The gathered comments and observations, recapitulated and supported by particular measures, allow us to discover and describe typical user behavior pertaining to given tasks to solve.
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THE PROBLEM OF THE CALCULATION OF THE FREQUENCY OF DIAGNOSTIC EXAMINATIONS BASED ON DEVICE’S PROPER OPERATION TIME
PublikacjaThe paper presents the proposal to apply the normal distribution to solve the problem of the frequency of diagnostic tests. Particular emphasis is placed on simplicity of the method. This method may be useful for the average user technical system. The method reduces the number of assumptions to a minimum. The results do not raise of serious doubts but they require verification of course.
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Marcin Dziedziński magister
Osoby -
Towards semantic-rich word embeddings
PublikacjaIn recent years, word embeddings have been shown to improve the performance in NLP tasks such as syntactic parsing or sentiment analysis. While useful, they are problematic in representing ambiguous words with multiple meanings, since they keep a single representation for each word in the vocabulary. Constructing separate embeddings for meanings of ambiguous words could be useful for solving the Word Sense Disambiguation (WSD)...
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Modelling of the Movement of Designed Vehicles on Parking Space for Designing Parking
PublikacjaNowadays, in all cities there is an acute problem of lack of parking spaces. The vehicles are becoming more and more not only in megacities, but also in small cities of the country, and there are no more parking places - the pace of solving the problem is several times slower than the speed of transport growth among the citizens. The article is dedicated to determination of the optimum sizes parking place for designing vehicles...
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Periodic expansion in determining minimal sets of Lefschetz periods for Morse–Smale diffeomorphisms
PublikacjaWe apply the representation of Lefschetz numbers of iterates in the form of periodic expansion to determine the minimal sets of Lefschetz periods of Morse–Smale diffeomorphisms. Applying this approach we present an algorithmic method of finding the family of minimal sets of Lefschetz periods for Ng, a non-orientable compact surfaces without boundary of genus g. We also partially confirm the conjecture of Llibre and Sirvent (J Diff...
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Environmentally friendly polymer-rubber composites obtained from waste tyres: A review
PublikacjaThe paper is transdisciplinary. The complex overview on changes in policy and approach to waste tyres that leads to both solving environmental problem of post consumer tyres and creating environmentally friendlier novel materials are presented. It is shown that in the world, the amount of polymer wastes increases every year. Most of them are in the form of post-consumer tyres. Recycling and recovery of such tyres is a serious environmental...
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Smart Innovation Engineering System - A Tool for Facilitating Product Innovation Process
PublikacjaFor the survival and prosperity of the manufacturing unit, entrepreneurs need to find out new ideas that can be implemented in the products leading to innovation. The current study employs a systematic approach for product innovation. In this approach past experiences based on innovation decisions are stored and recalled during the innovation problem solving process. Implementing this system in the process of product innovation...
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Elastoplastic nonlinear FEM analysis of FGM shells of Cosserat type
PublikacjaThe paper is a continuation of [1] where the formulation of the elastic constitutive law for functionally graded materials (FGM) on the grounds of nonlinear 6-parameter shell theory with the 6th parameter (the drilling degree of freedom) was presented. Here the formulation is extended to the elasto-plastic range. The material law is based on Cosserat plasticity and employs the well-known Tamura-Tomota-Ozawa (TTO) [2] mixture...
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Direct chromatographic methods in the context of green analytical chemistry
PublikacjaWe review analytical protocols based on gas and liquid chromatography (GC and LC), but involving no sample preparation.Green analytical chemistry seeks to minimize negative impacts of analytical chemistry. Direct analytical methods ideally fulfillthis requirement, as they preclude sample preparation - the most polluting step of the analytical procedure.We describe examples of GC methodologies for environmental and food analysis...
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Acoustics-related aspects of historic interior modernization projects
PublikacjaThe paper presents three historic interiors in which modernization projects have been carried out having an important impact on their acoustic qualities. Two of the described case studies are positive examples of solving the problem of a natural contradictions between modern technical standards and strict discipline imposed by the heritage conservation system. On the other hand, the effect of neglecting the acoustic needs when...
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Augmenting digital documents with negotiation capability
PublikacjaActive digital documents are not only capable of performing various operations using their internal functionality and external services, accessible in the environment in which they operate, but can also migrate on their own over a network of mobile devices that provide dynamically changing execution contexts. They may imply conflicts between preferences of the active document and the device the former wishes to execute on. In the...
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Vibrational excitation of acetylene by positron impact
PublikacjaVibrationally inelastic quantum calculations are carried out at low collision energies for the scattering of a beam of positrons off acetylene gaseous molecules. The normal mode analysis is assumed to be valid and the relative fluxes into the C–C and C–H symmetric vibrational modes are computed within a Body-Fixed (BF) formulation of the dynamics by solving the relevant vibrational Coupled Channels (VCC) equations. The clear dominance...
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Integration in Multichannel Emotion Recognition
PublikacjaThe paper concerns integration of results provided by automatic emotion recognition algorithms. It presents both the challenges and the approaches to solve them. Paper shows experimental results of integration. The paper might be of interest to researchers and practitioners who deal with automatic emotion recognition and use more than one solution or multichannel observation.
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A Note on a Problem Posed by D. E. Knuth on a Satisfiability Recurrence
PublikacjaWe resolve a conjecture proposed by D.E. Knuth concerning a recurrence arising in the satisfiability problem. Knuth's recurrence resembles recurrences arising in the analysis of tries, in particular PATRICIA tries, and asymmetric leader election. We solve Knuth's recurrence exactly and asymptotically, using analytic techniques such as the Mellin transform and analytic depoissonization.
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A higher order transversely deformable shell-type spectral finite element for dynamic analysis of isotropic structures
PublikacjaThis paper deals with certain aspects related to the dynamic behaviour of isotropic shell-like structures analysed by the use of a higher order transversely deformable shell-type spectral finite element newly formulated and the approach known as the Time-domain Spectral Finite Element Method (TD-SFEM). Although recently this spectral approach is reported in the literature as a very powerful numerical tool used to solve various...
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On the preestimation technique and its application to identification of nonstationary systems
PublikacjaThe problem of noncausal identification of a nonstationary stochastic FIR (finite impulse response) sys- tem is reformulated, and solved, as a problem of smoothing of preestimated parameter trajectories. Three approaches to preestimation are critically analyzed and compared. It is shown that optimization of the smoothing operation can be performed adaptively using the parallel estimation technique. The new approach is computationally...
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Reduction of Computational Complexity in Simulations of the Flow Process in Transmission Pipelines
PublikacjaThe paper addresses the problem of computational efficiency of the pipe-flow model used in leak detection and identification systems. Analysis of the model brings attention to its specific structure, where all matrices are sparse. With certain rearrangements, the model can be reduced to a set of equations with tridiagonal matrices. Such equations can be solved using the Thomas algorithm. This method provides almost the same values...
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Doppler effect in the CW FM sonar
PublikacjaWhen sonars are used for military purposes they have to ensure unobtrusive operation, a feature that can be potentially secured by 'silent sonar' or continuous wave frequency modulation sonars (CW FM sonars). The article presents how these sonars operate and identifies the relations between their parameters. The Doppler effect and its impact on the CW FM sonar are studied to identify how it affects the sonar's parameters. The results...
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Some Optimization Methods for Simulations in Volunteer and Grid Systems
PublikacjaIn this chapter, some optimization methods have been presented for improving performance of simulations in the volunteer and grid computing system called Comcute. Some issues related to the cloud computing can be solved by presented approaches as well as the Comcute platform can be used to simulate execution of expensive and energy consuming long-term tasks in the cloud environment. In particular, evolutionary algorithms as well...
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Optimizing the parameters of a small standalone hybrid power system
PublikacjaA hybrid power plant consists of renewable energy resources, an energy storage, a discharge load and an emergency power supply. Power plant parameters are tailored to meet the requirements of continuity of supply, cost minimization, return on investment period and system capacity utilization. The papaer presents the methodology for selecting power plant parameters with a larger number of decision criteria. The task is solved...
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Dynamic fracture of brittle shells in a space-time adaptive isogeometric phase field framework
PublikacjaPhase field models for fracture prediction gained popularity as the formulation does not require the specification of ad-hoc criteria and no discontinuities are inserted in the body. This work focuses on dynamic crack evolution of brittle shell structures considering large deformations. The energy contributions from in-plane and out-of-plane deformations are separately split into tensile and compressive components and the resulting...
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CaO-based high temperature CO2 sorbents – Literature review
PublikacjaThe use of CaO-based adsorbents has a high potential to capture CO2 from various systems due to its high reactivity with CO2, high capacity, and low cost of naturally derived CaO. The application of CaO-based sorbents to remove carbon dioxide is based on a reversible reaction between CaO and CO2. However, multiple carbonation/calcination cycles lead to a rapid reduction in the sorption capacity of natural CaO, and therefore efforts...
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Retention behaviour of some high-intensity sweeteners on different SPE sorbents
PublikacjaThe objective of this paper is to provide information about application of solid phase extraction (SPE) for isolation of nine high-intensity sweeteners (acesulfame-K, alitame, aspartame, cyclamate, dulcin, neotame, saccharin, sucralose and neohesperidin dihydrochalcone) from aqueous solutions. The influence of several types of LC-MS compatible buffers (different pH values and compositions) on their recovery has been studied and...
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Green capsule phase microextraction employing hydrophobic monolithic sol-gel octadecyl siloxane platforms for the monitoring of organophosphorus pesticides in environmental water samples
PublikacjaIn this study, a novel, facile and green capsule phase microextraction (CPME) method is presented for the extraction and preconcentration of organophosphorus pesticides (i.e., chlorpyrifos, disulfoton, ethoprophos, fenchlorphos, prothiofos, and parathion-methyl) from environmental water samples. Monolithic sol-gel octadecyl siloxane (sol-gel C18) sorbent encapsulated within porous polypropylene capsules was synthesized, characterized,...
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Electronic structure and time-dependent description of rotational predissociation of LiH
PublikacjaThe adiabatic potential energy curves of the ^1Sigma+ and ^1Pi states of the LiH molecule were calculated. They correlate asymptotically to atomic states, such as 2s + 1s, 2p + 1s, 3s + 1s, 3p + 1s, 3d + 1s, 4s + 1s, 4p + 1s and 4d + 1s. A very good agreement was found between our calculated spectroscopic parameters and the experimental ones. The dynamics of the rotational predissociation process of the 1^1Pi state were studied...
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Polyarmonic model of synchronous generator for analysis of autonomous power generation systems
PublikacjaAbstract: This paper presents the polyharmonic modelling of synchronous generator (SG) in machine variables. The simple geometry and windings physical layout has been used for inductance calculations of a salient-pole SG. The main advantage of this model is the ease of describing an autonomous power generation system (APGS) in terms of its topology and thus providing effective analysis at the static and dynamic states, both for...
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High-accuracy computation of hard X-ray focusing and imaging for refractive optics
PublikacjaA mathematical apparatus for solving problems of X-ray wave propagation through complex optical systems, when the lens thickness can change with jumps, is developed and presented. The developed method is based on the use of the superposition of oriented Gaussian beams, which satisfy the Helmholtz equation with high accuracy. The wave propagation in air and through kinoform and ordinary lenses is considered. Focusing and imaging...
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Application of Multivariate Analysis Methods in Welding Engineering
PublikacjaPhenomena and processes taking place during welding are usually very complex and, for this reason, should be described using multivariate methods. The article discusses the methodological basis and selected application areas as regards the solving of welding problems using statistical multivariate methods. In addition, the article presents exemplary applications of the design of experiment, multiple regression analysis, cluster...
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Asynchronous Method of Simultaneous Object Position and Orientation Estimation with Two Transmitters
PublikacjaThis paper proposes an object location method for all types of applications, including the Internet of Things. The proposed method enables estimations of the position and orientation of an object on a plane or in space, especially during motion, by means of location signals transmitted simultaneously from two transmitters placed on the object at a known distance from each other. A mathematical analysis of the proposed method and...
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Organic semiconductor rubrene thin films deposited by pulsed laser evaporation of solidified solutions
PublikacjaOrganic semiconductor rubrene (C42H28) belongs to most preferred spintronic materials because of the high charge carrier mobility up to 40 cm2(V·s)-1. However, the fabrication of a defect-free, polycrystalline rubrene for spintronic applications represents a difficult task. We report preparation and properties of rubrene thin films deposited by pulsed laser evaporation of solidified solutions. Samples of rubrene dissolved in aromatic...
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Progress in development of molecularly imprinted polymers as sorbents for sample preparation
PublikacjaSample preparation has been one of the most often investigated steps in analytical procedures.These investigations are focused on problems such as isolation of analytes from the sample matrix, matrix implification, analyte enrichment to the level above the detection limit of the instrumentation used, and the removal of interfering species to improve the final determination. Techniques based on solid (adsorption) and pseudo liquid...
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Comparison of the Efficiency of Hetero- and Homogeneous Catalysts in Cellulose Liquefaction
PublikacjaBiomass liquefaction is a well-known and extensively described process. Hydrothermal processes are well understood and can be used in the fuel industry. The use of organic solvents can result in full-fledged products for use in the synthesis of polyurethanes. The plastics industry, including polyurethanes, is targeting new, more environmentally friendly solutions. One of these is the replacement of petrochemical polyols with compounds...
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Transport properties of aqueous ionic liquid microemulsions: influence of the anion type and presence of the cosurfactant
PublikacjaTransport properties, viz. specific conductivity, dynamic viscosity and apparent diffusion coefficients, were measured as a function of water content in aqueous ionic liquid microemulsions containing 1-butyl-3- methylimidazolium hexafluorophosphate, [BMIM][PF6] and bis(trifluoromethanesulphonyl)imide, [BMIM][Tf2N], stabilized by the nonionic surfactant TX-100, or its mixture with a cosurfactant, i.e. butanol. The investigation covered...
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Impact of Tetrazolium Ionic Liquid Thermal Decomposition in Solvothermal Reaction on the Remarkable Photocatalytic Properties of TiO2 Particles
PublikacjaIonic liquids (ILs) could serve as a structuring agent, a solvent, or a source of dopant during solvothermal synthesis of semiconductors particles. To understand the role of IL during formation of TiO2 particles, it is necessary to study the stability of this IL in solvothermal synthesis conditions, as well as studying the surface properties of formed TiO2 particles. In view of this, the effect of the 2,3,5-triphenyltetrazolium...
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublikacjaWe present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...
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Up-to-date strategies and future trends towards the extraction and purification of Capsaicin: A comprehensive review
PublikacjaBackground According to the current need of manufacturing healthier products, food companies are seeking specific biomolecules that may offer additional added value (i.e., biological activities) to the new food formulations. Capsaicin, as the pungent ingredient of chili peppers, has become so far one of the target biomolecules explored since the 1950s. There is evidence demonstrating that capsaicin exhibits important biological...
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A rapid and sensitive method for the quantitative analysis of ibuprofen and its metabolites in equine urine samples by gas chromatography-tandem mass spectrometry
PublikacjaIbuprofen is widely used in human and veterinary medicine for the treatment of chronic pain as well as rheumatic and musculoskeletal disorders. However, t he anal- gesic and anti-inflammatory properties of Ibuprofen have contributed to frequent drug abuse in equestr ian s ports. A sensitive and rapid gas chromatography with tandem mass spectrometry based method with a simple liquid-liquid extraction and deriva- tization requiring...