Search results for: SUPRAMOLECULAR SOLVENTS
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Effect of Polymerization Statistics on the Electronic Properties of Copolymers for Organic Photovoltaics
PublicationStatistical block copolymers, composed of donor (D) and acceptor (A) blocks, are a novel type of material for organic photovoltaics (OPVs) devices. In particular a new series of polymers based on PBTZT-stat-BDTT-8, recently developed by Merck, offers high solubility in different solvents, and a high power conversion efficiency (PCE) in different device architectures. Although it is known that the electronic properties of these...
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Miniaturized solid phase microextratcion
PublicationWithout any doubt analytical laboratories have an essential role in environmental protection due to the fact that they takes an active part in the monitoring pollutants present in air, water or soil. From the other side, the analytical activity is involved in the generation of toxic waste what is associated with the use of not eco-friendly reagents and solvents. For these reasons, green analytical chemistry (GAC) was introduced...
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Semi-definite programming and quantum information
PublicationThis paper presents a comprehensive exploration of semi-definite programming (SDP) techniques within the context of quantum information. It examines the mathematical foundations of convex optimization, duality, and SDP formulations, providing a solid theoretical framework for addressing optimization challenges in quantum systems. By leveraging these tools, researchers and practitioners can characterize classical and quantum correlations,...
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The effect of adding a standard on the result of determination of polychlorinated biphenyls in bottom sediment samples
PublicationBottom sediments are a very important component of aquatic ecosystems. The sediment matrix is highly diverse and heterogeneous; in consequence, compounds entering the aquatic environment from different sources are considerably enriched at its surface. Bottom sediments are regarded as natural sorbents, since they accumulate many harmful substances, such as heavy metals and stable organic contaminants.Extraction is a key stage in...
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Nanoparticles: Synthesis, characteristics, and applications in analytical and other sciences
PublicationNanoparticles (NPs) are widely employed in different research areas, ranging from analytical chemistry and environmental science to medicine, the agriculture and pharmaceutical industry. This is mainly due to the unique characteristics of NPs and the novelty they introduce in such applications. In analytical chemistry, the role of NPs can differ depending on the nature of the steps involved in analytical process. NPs are probably...
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Dielectric properties of modified graphene oxide filled polyurethane nanocomposites and its correlation with rheology
PublicationThis study aims at investigating the dynamic mechanical, dielectric and rheological properties of reinforced polyurethane (PU) nanocomposites containing hydrophilic graphene oxide (GO) and/or hydrophobic modified graphene oxide (mGO) sheets. The organic modification of GO was performed with 4,4′-methylenebis (phenyl isocyanate) (MDI) and the samples were prepared by solvent mixing. We found that addition of mGO provides a more...
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Ultrasound assisted dispersive solid phase microextraction using polystyrene-polyoleic acid graft copolymer for determination of Sb(III) in various bottled beverages by HGAAS
PublicationA new polyoleic acid-polystyrene (PoleS) block/graft copolymer was synthesized and applied as adsorbent for ultrasound assisted dispersive solid phase microextraction (UA-DSPME) of Sb(III) in different bottled beverages and analysis using hydride generation atomic absorption spectrometry (HGAAS). Adsorption capacity of the PoleS was 150 mg g−1. Several sample preparation parameters such as sorbent amount, solvent type, pH, sample...
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Exposure scenario and risk assessment of infants and newborns to bisphenols and their derivatives from diapers
PublicationNewborns and infants are more sensitive to harmful compounds such as bisphenols and their derivatives because of their not fully developed detoxification mechanism. Exposure to these substances can lead to developmental problems and health consequences in adulthood. Since disposable baby diapers are used from the first days of life and remain in contact with the baby skin, it seems important to monitor the levels of endocrine disrupting chemicals...
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Evaluating Gelatin-Based Films with Graphene Nanoparticles for Wound Healing Applications
PublicationIn this study, gelatin-based films containing graphene nanoparticles were obtained. Nanoparticles were taken from four chosen commercial graphene nanoplatelets with different surface areas, such as 150 m2/g, 300 m2/g, 500 m2/g, and 750 m2/g, obtained in different conditions. Their morphology was observed using SEM with STEM mode; porosity, Raman spectra and elemental analysis were checked; and biological properties, such as hemolysis...
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Application of multivariate statistics in assessment of green analytical chemistry parameters of analytical methodologies
PublicationThe study offers a multivariate statistical analysis of a dataset, including the major metrological, “greenness” and methodological parameters of 43 analytical methodologies applied for aldrin determination (a frequently analyzed organic compound) in water samples. The variables (parameters) chosen were as follows: metrological (LOD, recovery, RSD), describing the “greenness” (amount of the solvent used, amount of waste generated)...
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New Alternative Passive Networks to Improve the Range Output Voltage Regulation of the PWM Inverters
PublicationThis paper presents different topologies of buck-boost converters with passive input networks that have alternative topologies; this is known in the literature as a Z-source inverter. Alternative passive networks were named by the authors as T-inverters; these improve output voltage regulation of the PWM inverters. T-inverter has fewer reactive components in comparison to conventional Z-source inverter. The most significant advantage...
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Regularized Local Basis Function Approach to Identification of Nonstationary Processes
PublicationThe problem of identification of nonstationary stochastic processes (systems or signals) is considered and a new class of identification algorithms, combining the basis functions approach with local estimation technique, is described. Unlike the classical basis function estimation schemes, the proposed regularized local basis function estimators are not used to obtain interval approximations of the parameter trajectory, but provide...
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Solvation of ionic liquids based on N-methyl-N-alkyl morpholinium cations in dimethylsulfoxide – volumetric and compressibility studies
PublicationThe density and sound velocity of the solutions of ionic liquids based on N-alkyl-N-methyl-morpholinium cations, N-ethyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-butyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-methyl-N-octyl-morpholinium bis(trifluoromethanesulfonyl)imide and N-decyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide in dimethylsulfoxide were measured at T = (298.15 to 318.15)...
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Thermostability and photophysical properties of mixed-ligand carboxylate/benzimidazole Zn(II)-coordination polymers
PublicationThe reaction between Zn(NO3)2*6H2O or Zn(CH3COO)2*2H2O and isophthalic acid (1,3-H2bdc) in the presence of benzimidazole (Hbzim) in dimethylformamide (DMF)/ethanol (EtOH)/H2O solvent mixture at room temperature yielded two structurally different coordination polymers: [Zn2(1,3-bdc)2(Hbzim)2] (1) and [Zn2(1,3-bdc)(bzim)2] (2). (1) is a 2D-layered framework with a molecule of benzimidazole coordinated to the Zn center, whereas (2)...
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Do Phenyl Substituents Affect the Properties of Azobenzocrown Derivatives?
PublicationNew products of photo- and thermal rearrangements of 19-membered azoxybenzocrown with phenyl substituents in benzene rings in the para positions to oligooxyethylene fragments are characterized. The yields of photochemical transformations depend on the solvent. Para-hydroxyazocrown is formed with yields over 50% in propan-2-ol. Ortho-hydroxyazobenzocrown is obtained with yields up to 70% in toluene/acetic acid mixture. Macrocyclic...
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MoS2-containing composite membranes for separation of environmental energy-relevant liquid and gas mixtures: A comprehensive review
PublicationMolybdenum sulfide (MoS2) materials adapted into membranes have demonstrated potential for different areas dealing with molecular separations. For instance, MoS2-based membranes have been proposed for distinct environmental applications, such as water treatment, seawater desalination, gas separation, and solvent separation. Emergently, such membranes have been ultimately investigated for energy-relevant gas separation mixtures,...
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The role of centrifugal partition chromatography in the removal of β-asarone from Acorus calamus essential oil
PublicationΒ-asarone is a phenylpropane derivative present in the rhizomes of Acorus calamus, that was proved to exhibit toxic effects in humans. Because of its presence the whole plant that is commonly used in traditional medicine for its sedative, anti-inflammatory, neuroprotective and other properties has limited application nowadays. In the study, qualitative and quantitative analysis of a collection of nine essential oil (EO) samples...
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A comprehensive review on Ginger (Zingiber officinale) as a potential source of nutraceuticals for food formulations: Towards the polishing of gingerol and other present biomolecules
PublicationCurrently, ginger is one the most consumed plants when dealing with the treatments of various illnesses. So far, it is known that various biologically active molecules, such as gingerols, shogaols and zingerone, among others, are the main responsible for specific biological activities, opening a new window for its utilization as a nutraceutical in foods. In pioneering extraction processes, solvent extraction has been initially...
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Copper(I) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence
PublicationReaction of copper(I) halides with chiral dithiodianthranilidesmdtaandbdtaafforded polymeric complexeswhere polynuclear CuX clusters were linked together by ditopic bridging ligands into 1D chains or 2D layerstructures. In the case of racemic ligands double stranded chain polymers were formed where the Cu4X4(X = I or Br) cores are connected by enantiomeric pairs of the ditopic ligands. In contrast, a homochiralmdtaligand created...
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Determination of flavanols by liquid chromatography with fluorescence detection. Application to the characterization of cranberry-based pharmaceuticals through profiling and fingerprinting approaches
PublicationIn this work, a new method based on reversed-phase high-performance liquid chromatography (HPLC) with fluorescence detection (FLD) was established for the determination of catechins and related oligomeric proanthocyanidins (PACs) in cranberry-based pharmaceuticals. Compounds were recovered by liquid extraction using methanol/water/hydrochloric acid (60:39:1, v:v:v) as the extraction solvent. The chromatographic separation was carried...
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Antibacterial polyurethanes, modifed with cinnamaldehyde, as potential materials for fabrication of wound dressings
PublicationThe epidermis is a skin layer, which protects an organism from the different factors of external environment. Therefore, the fast and effective regeneration of epidermis is important. Potential materials used for epidermis regeneration may be polyurethane scaffolds in form of the thin permeable layers. One and main disadvantage of such polyurethane scaffolds are their lack of antibacterial and antifungal properties. The great proposition...
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Size Exclusion Coupled to Reversed Phase Liquid Chromatography for the Characterization of Cranberry Products
PublicationA combination of solvent extraction, size exclusion purification, and reversed-phase liquid chromatography with UV absorption and fluorescence detection was here used for the determination of flavan-3-ols and related oligomeric compounds in cranberry products. The method relied on robust, simple, and inexpensive instrumental equipment present in most of routine analytical laboratories. Sample extracts in methanol/water/hydrochloric...
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Solid phase microextraction: state of the art, opportunities and applications
PublicationSolid phase microextraction is one of the most popular green techniques used for sample preparations in analytical chemistry. It is a simple, rapid, sensitive, and solvent-free technique. Since SPME was first introduced in the early 1990s, there has been an intensification of research in order to elaborate new methodical solutions in many research facilities around the world, which could increase the use of this technique. More...
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Monitoring and analytics of semivolatile organic compounds (SVOCs) in indoor air
PublicationThis paper reviews literature information on the behaviour of semivolatile organic compounds (SVOCs) in the indoor environment, as well as the most likely emission sources. The consecutive stages of analytical procedures used for monitoring SVOCs in indoor environments are described. The most common approaches used for collecting samples from the gas and particulate phases are mentioned. The paper discusses and compares various...
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A new relevant membrane application: CO2 direct air capture (DAC)
PublicationSince carbon dioxide (CO2) is the primary greenhouse gas emitted into the atmosphere due to human activities, strong research efforts have been developed towards capturing and decreasing its production. Unfortunately, specific processes and activities make it impossible to avoid CO2 emissions. Among the different strategies scientists propose for CO2 reduction, direct CO2 capture from the atmosphere, also known as direct air capture...
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Multimodal Genetic Algorithm with Phase Analysis to Solve Complex Equations of Electromagnetic Analysis
PublicationIn this contribution, a new genetic-algorithm-based method of finding roots and poles of a complex function of a complex variable is presented. The algorithm employs the phase analysis of the function to explore the complex plane with the use of the genetic algorithm. Hence, the candidate regions of root and pole occurrences are selected and verified with the use of discrete Cauchy's argument principle. The algorithm is evaluated...
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Experimental and theoretical studies on the Sulfamethazine-Urea and Sulfamethizole-Urea solid-liquid equilibria
PublicationThe miscibility of active pharmaceutical ingredients with excipients is an important aspect in pharmaceutical technology protocols. In this study, the differential scanning calorimetry (DSC) was used for Sulfamethazine-Urea (SI–U) and Sulfamethizole-Urea (SO–U) solid-liquid phase diagrams determination. Both sulfonamides form simple binary eutectics with Urea. The lack of new co-crystal phase formation was confirmed by inspection...
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‘Green’ multi - residue methods for the determination of high importance currently used pesticides in environmental samples
PublicationThe purpose of the research has been to develop and apply ‘green’ analytical methodologies to control and monitor the level of currently used pesticides from different chemical groups in aqueous samples. For extraction of analytes solid - phase microextraction (SPME) and dispersive liquid - liquid microextraction (DLLME) have been applied and compared. For SPME, commonly used materials for coating fibers include: polydimethylsiloxane...
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Polysaccharide nanocomposites in wastewater treatment: A review
PublicationIn modern times, wastewater treatment is vital due to increased water contamination arising from pollutants such as nutrients, pathogens, heavy metals, and pharmaceutical residues. Polysaccharides (PSAs) are natural, renewable, and non-toxic biopolymers used in wastewater treatment in the field of gas separation, liquid filtration, adsorption processes, pervaporation, and proton exchange membranes. Since addition of nanoparticles...
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Stereoselective Alkylation of Indole with 5-Arylidene-Meldrum’s Acids in the Presence of Organocatalysts
PublicationBackground: Indole motif is frequently present in biologically active compounds. Enantiomerically pure or enriched 2,2-dimethyl-5-(aryl(1H-indol-3-yl)methyl)-1,3-dioxane-4,6-diones can be considered as a convenient starting point for the synthesis of a indole ring fused with cyclic ketones with biological activity. Preparation of chiral 2,2-dimethyl-5-(aryl(1H-indol-3-yl)methyl)-1,3-dioxane- 4,6-diones requires the reaction of...
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Ionic liquids for nano- and microstructures preparation. Part 1: Properties and multifunctional role
PublicationIonic 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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The influence of reactions conditions on aggregation of dyes used in biochemistry
PublicationSelf-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?
PublicationThin 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
PublicationBio-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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Indirect Determination of MCPD Fatty Acid Esters in Lipid Fractions of Commercially Available Infant Formulas for the Assessment of Infants’ Health Risk
PublicationMCPD 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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Why do G-quadruplexes dimerize through the 5’-ends? Driving forces for G4 DNA dimerization examined in atomic detail
PublicationG-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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Hydration of amino acids: FTIR spectra and molecular dynamics studies
PublicationThe 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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Multicomponent ionic liquid CMC prediction
PublicationWe 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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Evolutionary sets of safe ship trajectories with speed reduction manoeuvres within traffic separation schemes
PublicationIn the previous paper the author presented the evolutionary ship trajectory planning method designed to support Traffic Separation Schemes (TSS). This time the extensions of this method are described which allow to combine evolutionary trajectory planning with speed reduction manoeuvres. On TSS regions with higher than usual density of traffic and smaller distances between ships, the course alterations alone are not always sufficient...
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An O ( n log n ) algorithm for finding edge span of cacti
PublicationLet G=(V,E) be a nonempty graph and xi be a function. In the paper we study the computational complexity of the problem of finding vertex colorings c of G such that: (1) |c(u)-c(v)|>=xi(uv) for each edge uv of E; (2) the edge span of c, i.e. max{|c(u)-c(v)|: uv belongs to E}, is minimal. We show that the problem is NP-hard for subcubic outerplanar graphs of a very simple structure (similar to cycles) and polynomially solvable for...
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Membrane-SPME the best 'green' sample preparation technique for the gas chromatographic determination polar organic pollutants in polar media
PublicationOne of the most popular technique for sample preparation, which fulfill requirements of green analytical chemistry, is solid phase microextraction (SPME). Because of the undoubted advantages of SPME technique, solvent-free character of the extraction process and the enormous potential in analytical practice, a series of studies has been undertaken to develop new technical solutions, where improving the sensitivity and the extraction...
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Up-to-date strategies and future trends towards the extraction and purification of Capsaicin: A comprehensive review
PublicationBackground 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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Influence of temperature and anion type on thermophysical properties of aqueous solutions of morpholine based amino acid ionic liquids
PublicationDensities 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...
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Electrochemistry from first-principles in the grand canonical ensemble
PublicationProgress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can benefit from the atomistic understanding of the materials involved by first-principles quantum mechanical simulations with Density Functional Theory (DFT). However, such simulations are...
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Molecular mechanism of proton-coupled ligand translocation by the bacterial efflux pump EmrE
PublicationThe current surge in bacterial multi-drug resistance (MDR) is one of the largest challenges to public health, threatening to render ineffective many therapies we rely on for treatment of serious infections. Understanding different factors that contribute to MDR is hence crucial from the global “one health” perspective. In this contribution, we focus on the prototypical broad-selectivity proton-coupled antiporter EmrE, one of the...
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Impact of Tetrazolium Ionic Liquid Thermal Decomposition in Solvothermal Reaction on the Remarkable Photocatalytic Properties of TiO2 Particles
PublicationIonic 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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A rapid and sensitive method for the quantitative analysis of ibuprofen and its metabolites in equine urine samples by gas chromatography-tandem mass spectrometry
PublicationIbuprofen 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...
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublicationWe 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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Fabrication of polyurethane and polyurethane based composite fibers by the electrospinning technique for soft tissue engineering of cardiovascular system
PublicationElectrospinning is the unique technique, which provides forming of polymeric scaffolds for soft tissue engineering, which include tissue scaffolds for soft tissues of cardiovascular system. Such artificial soft tissues of cardiovascular system may possess mechanical properties comparable to native vascular tissues. Electrospinning technique gives the opportu nity to form fibres with nm- to μm-scale in diameter. The arrangement...
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Progress in ATRP-derived materials for biomedical applications
PublicationThe continuing wave of technological breakthroughs and advances is critical for engineering well- defined materials, particularly biomaterials, with tailored microstructure and properties. Over the last few decades, controlled radical polymerization (CRP) has become a very promising option for the synthesis of precise polymeric materials with an unprecedented degree of control over mo lecular architecture. Atom transfer radical...