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Search results for: ION-MOLECULE COLLISIONS
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Study on Polymer Elements for Mitigation of Earthquake-Induced Pounding Between Buildings in Complex Arrangements
PublicationPounding between neighboring structures during seismic events has been revealed as one of the most commonly observed reasons for severe damage or even total collapse of the adjacent buildings. Therefore, pounding effects have recently become an issue of great interest of many numerical and experimental investigations in many earthquake-prone regions of the world. It has also been observed that the differences in dynamic characteristics...
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Effective Formula for Impact Damping Ratio for Simulation of Earthquake-induced Structural Pounding
PublicationStructural pounding during earthquakes may cause substantial damage to colliding structures. The phenomenon is numerically studied using different models of collisions. The aim of the present paper is to propose an effective formula for the impact damping ratio, as a parameter of the impact force model used to study different problems of structural pounding under seismic excitations. Its accuracy has been verified by four various...
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Impact response of novel layered two stage fibrous composite slabs with different support type
PublicationThe performance of novel Layered Two Stage Fibrous Composite slabs (LTSFC) was pioneered under falling mass collisions using a combined experimental and numerical study. Such LTSFC slabs consist of three layers with and without the insertion of glass fibre mesh between the layers. LTSFC techniques were used to fabricate the composite slabs with three layers including 3%, 1.5%, and 3% of fibre content for the top, middle, and...
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Groundwater Quality in the Gdansk Aquifer System
PublicationThe Gdańsk hydrogeological system consists of three main aquifers: Cretaceous, Paleogene-Neogene and Pleistocene. Chemical composition of groundwater varies between water-bearing beds, although water from Pleistocene and Paleogene-Neogene aquifers shows much similarities. The dominant hydrochemical groundwater types is HCO3-Ca. This type is characteristic for Pleistocene deposits in the Kashubian Lake District where natural chemical...
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New bis(azobenzocrown)s with dodecylmethylmalonyl linkers as ionophores for sodium selective potentiometric sensors
PublicationNovel biscrowns 1 and 2 were synthesized from 13-membered azobenzocrown ethers containing bromoalkylenoxy chains in para position relative to the azo group. The synthesized diester molecules are dodecylmethylmalonic acid derivatives differing by the linker length. The synthesized compounds have the potential of being used as sodium ionophores in ion-selective electrodes. They were characterized and used as ionophores in classic...
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Nonlinear electrical properties of glass-ceramics nanocomposites containing ferroelectric nanocrystallites of Bi2VO5.5
PublicationNonlinear A.C. impedance measurements were conducted in the 50BiV-50SrBAlO nanocomposite as a function of frequency, temperature and A.C. voltage. This material is ferroelectric below temperature of 730 K, and above 730 K is a good ion-conductor. For this nanocomposite a low A.C. voltage of 1 V rms is enough to observe high nonlinearities. The origin of these nonlinear effects depends on the temperature and frequency. In the high...
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Comparison of different extraction techniques of polychlorinated biphenyls from sediments samples.
PublicationIn this work, problems that may occur during determination of trace levels of polychlorinated biphenyls in sediment samples are described. Main error sources are connected with extraction of analytes prior to final determination. During model studies, polychlorinated biphenyls have been extracted from sedimentreference material (METRANAL 2) with the use of different solvents (dichloromethane, hexsane, and toluene); the process...
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Opposite pressure impact on electron-phonon coupling in Eu2+ and Ce3+ doped AlN
Open Research DataThis data analyzes the influence of pressure on electron–lattice interactions in the 5d excited states of Ce3+ and Eu2+ in the AlN host based on pressure-dependent photoluminescence and photoluminescence excitation spectra. High-pressure measurements on AlN samples doped with Eu2+ and Ce3+ ions reveal that the Stokes shift increases with pressure for...
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Influence of the annealing condictions on the chemical structure of LaBaGdCo ceramics
Open Research DataCeramic samples based on Barium, Lanthanum, Gadolinium and Cobaltium were produced by solid state reaction. After sintring in a furnance, samples were annealed at 300 Celsius degree in wet and dry atmosphere. Annealing takes 72h or 2h. Results of annealing were observed by X-Ray photoemission spectroscopy (XPS), OmicronNanotechnology. XPS analysis...
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Ab-initio study of electrical and optical properties of allylamine
PublicationThe Density functional theory is one of most promising methodology in fast and accurate calculations of electrical and optical properties from the atomic basis. In this paper, we calculate electrical and optical properties of allylamine (2-propen 1- amine) in terms of accuracy and speed of calculations obtained by selection of DFT-1/2 method with ultrasoft Vanderbilt pseudopotentials. Comparison of density of states between...
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Valence and ionic lowest-lying electronic states of small esters studied by high resolution vacuum ultraviolet photoabsorption, photoelectron spectroscopy and ab initio calculations
PublicationEsters are an important class of oxygenated volatile organic compounds used in food flavorings, perfumes and other cosmetic products. They are present in fruits and pheromones and are emitted to the atmosphere naturally. Esters are also formed in the atmosphere as a product of the oxidation of ethers. Some of them form poly-molecule chains and are used in plastics. Phosphoesters form DNA backbone, while nitroesters are known for...
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Ab-initio study of electrical and optical properties of allylamine
PublicationThe Density functional theory is one of most promising methodology in fast and accurate calculations of electrical and optical properties from the atomic basis. In this paper, we calculate electrical and optical properties of allylamine (2-propen 1- amine) in terms of accuracy and speed of calculations obtained by selection of DFT-1/2 method with ultrasoft Vanderbilt pseudopotentials. Comparison of density of states between molecule...
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Evolutionary Sets of Safe Ship Trajectories: improving the method by adjusting evolutionary techniques and parameters
PublicationThe paper presents some of the evolutionary techniques used by the evolutionary sets of safe ship trajectories method. In general, this method utilizes a customized evolutionary algorithm to solve a constrained optimization problem. This problem is defined as finding a set of cooperating trajectories (here the set is an evolutionary individual) of all the ships involved in the encounter situation. The resulting trajectories are...
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Do positrons measure atomic and molecular diameters?
PublicationWe report on density functional calculations (DFT) of elastic integral scattering cross-sections for positron collisions with argon, krypton, nitrogen and methane. The long-range asymptotic polarization potential is described using higher-order terms going much beyond an induced dipole potential (−α / r 4) while the short-range interaction is modeled by two different forms of electron – positron correlation potential (Boroński-Nieminen...
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Earthquake-induced pounding between superstructure segments of isolated bridge
PublicationThe use of seismic isolation in bridges is considered as one of the most promising advanced technologies to enhance the structural safety during earthquakes. However, the method results in larger displacements of superstructure segments increasing the probability of pounding between them. Reports after severe ground motions show that the earthquake-induced structural pounding may lead to significant damage in isolated bridges....
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Selection Pressure in the Evolutionary Path Planning Problem
PublicationThis article compares an impact of using various post-selection methods on the selection pressure and the quality of the solution for the problem of planning the path for a moving object using the evolutionary method. The concept of selection pressure and different methods of post-selection are presented. Article analyses behaviour of post-selection for four options of evolutionary algorithms. Based on the results achieved, waveform...
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Hydrographic Multisensory Unmanned Watercraft
PublicationThis article describes the design of the unmanned surface vessel (USV) and the algorithms for planning the trajectories to be followed on measurement missions. The algorithms take account of the dynamically varying impacts of external forces (wind and surface current) on the vessel's motion. Feedback loops enable the counteraction of external factors that cause disturbance to the desired trajectory. The sensors installed on the...
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A Framework of A Ship Domain-Based Near-Miss Detection Method Using Mamdani Neuro-Fuzzy Classification
PublicationSafety analysis of navigation over a given area may cover application of various risk measures for ship collisions. One of them is percentage of the so called near- miss situations (potential collision situations). In this article a method of automatic detection of such situations based on the data from Automatic Identification System (AIS), is proposed. The method utilizes input parameters such as: collision risk measure based...
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Safety Assessment of Tram Stops
PublicationThe safety of public transport stops is the subject of numerous studies in large agglomerations around the world. This is due to the fact that it is a passenger exchange zone where collisions and accidents involving people getting on or off public transport vehicles most often occur. For this reason, the purpose of the article is to present the results of the safety assessment of the stop zones for two selected tram lines in Wroclaw....
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The Empirical Application of Automotive 3D Radar Sensor for Target Detection for an Autonomous Surface Vehicle’s Navigation
PublicationAvoiding collisions with other objects is one of the most basic safety tasks undertaken in the operation of floating vehicles. Addressing this challenge is essential, especially during unmanned vehicle navigation processes in autonomous missions. This paper provides an empirical analysis of the surface target detection possibilities in a water environment, which can be used for the future development of tracking and anti-collision...
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NOBLE METAL MODIFIED TiO2 FOR PHOTOCATALYTIC AIR PURIFICATION
PublicationTiO2 was surface modified with silver, gold, palladium and platinum ion clusters to improve its photocatalytic activity. The effect of metal content, the kind of dopant used during preparation procedure on the photoactivity were investigated. in toluene removal which was used as a model volatile organic compound. Toluene, at the concentration of about 100 ppm, was irradiated over noble metal modified TiO2 using light-emitting diodes...
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Photoresponsive, amide-based derivative of embonic acid for anion recognition
PublicationThe synthesis and ion-binding properties of amide-based derivative of embonic acid andp-aminoazobenzenewere described. The new compound was characterized by X-ray structural analysis and spectroscopic methods.Ligand interacts in acetonitrile with Y-shaped anions (benzoates and acetates) and dihydrogen phosphatesforming complexes of 1:1 stoichiometry. In more polar DMSO the complexes stoichiometry changes to 2:1(L:anion). Light-inducedtranstocisisomerization...
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Mass transfer in Spinning Fluids Reactor — Measurement and prediction
PublicationSpecific mass transfer area (a) and overall volumetric mass transfer coefficient (kLa) are mass transfer parameters commonly used in the description and comparison of various chemical reactors’ constructions. Determination of these was performed for Spinning Fluids Reactor (SFR). Sodium sulfite oxidation in the presence of cobalt ion catalyst was used for the determination of a and kLa. The a and kLa were successful predicted....
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Multianalyte Calibration Methods for Potentiometric Integrated Sensors System for Determination of Ions Concentration in a Body Fluids
PublicationIn recent years, integration and miniaturization of ion-selective electrodes (ISEs) have brought many benefits resulting in the possibility of simultaneous determination of the ions concentration in a small sample volume. One of the key problems related to the preparation of integrated sensors systems (ISSs) is a calibration procedure due to the necessity to calibrate each particular sensor separately. The main aim of the research...
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Self-assembly, stability and conductance of amphotericin B channels: bridging the gap between structure and function
PublicationAmphotericin B (AmB), one of the most powerful but also toxic drugs used to treat systemic mycoses, is believed to selectively permeabilize fungal cell membranes to ions in a sterol-dependent manner. Unfortunately, the structure of the biologically active AmB channels has long eluded researchers, obstructing the design of safer alternatives. Here, we investigate the structural and thermodynamic aspects of channel formation, stability,...
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Evidence for SrHo2O4 and SrDy2O4 as model J1- J2 zigzag chain materials
PublicationNeutron diffraction and inelastic spectroscopy is used to characterize the magnetic Hamiltonian of SrHo2O4 and SrDy2O4. Through a detailed computation of the crystal-field levels we find site-dependent anisotropic single-ion magnetism in both materials, and diffraction measurements show the presence of strong one-dimensional spin correlations.Our measurements indicate that competing interactions of the zigzag chain, combinedwith...
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Low-energy positron scattering from gas-phase uracil
PublicationQuantum scattering calculations are presented for the interaction of low energy positrons with the uracil molecule, an important component of biological systems. The rotational elastic and inelastic cross sections and vibrational inelastic cross sections are reported and compared with existing experiments, indicating a general trend of the cross sections different from the experimental findings and in line with what should be expected...
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Thermodynamic Properties of Inorganic Salts in Nonaqueous Solvents. VI. Apparent Molar Volumes, Expansibilities, and Compressibilities of Divalent Transition Metal Ions in Methanol and Dimethylsulfoxide
PublicationThe temperature dependence of the density of divalent transition metal perchlorates in dimethylsulfoxide as well as cobalt(II), nickel(II) perchlorates, and copper(II) trifluoromethanesulfonate in methanol was determined. Moreover, sound velocities for solutions of cobalt(II), nickel(II) perchlorates, and copper(II) trifluoromethanesulfonate in methanol have been measured at 298.15 K. From these data, the partial molar volumes,...
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Graphene oxide aerogels for adsorptive separation of aromatic hydrocarbons and cycloalkanes
PublicationEfficient separation of benzene and cyclohexane has critical importance for production of commodity chemicals, and is one of the most challenging separations in the industry. Physisorption by recyclable, porous solids has a significant potential in substituting energy-intensive azeotropic or extractive distillation methods. Reduced graphene oxide aerogels (rGOAs) are emerging materials holding great promise for connecting unique...
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The profiles and spectrum of aqua solution of tannic acid by HPLC-DAD-MS analysis.
Open Research DataThe profiling of tannic acid is determined by examining the content and proportion / ratio of gallotannins [Aras et al. 2016, Clifford et al. 2007, Gauri et al. 2012, Nishizawa et al. 1982]. In order to check the ion mass distribution (TIC) in an aqueous solution of commercial tannic acid, a direct sample injection (TA) was performed into the mass spectrometer....
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Valence state of Manganium in a MnCoO ceramics
Open Research DataManganium -cobalt based ceramics materials were produced by solid state reaction and sintred in a furnance in air atmosphere for 20h. Annealing temperature was 600 Celsius degree. For investigations a series of samples, with a various composition was chosen: MnCoO, Mn, Co2O and Mn2CoO. In order to determine valence states of the Mn, X-Ray photoemission...
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Lanthanum investigations in ceramics annealed in a dry and wet atmosphere
Open Research DataCeramics based on Barium, Lanthanum, Gadolinium and Cobaltium were produced by standard solid state reaction from oxides and carbonate powders. After sintring, samples were annealed for 2 hours or 72 hours at 300 Celsius degree in a both: wet and dry atmosphere. Results of annealing on a chemical composition and valence state of lanthanum were observed...
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Correlations of structural, thermal and electrical properties of sodium doped complex borophosphosilicate glass
PublicationBorophosphosilicate glasses with varying sodium ion concentrations were investigated for their, structural, thermal, and electrical properties. All the obtained glasses were transparent except the glass with the highest sodium content, which exhibited translucency due to inhomogeneities. Increasing sodium content led to reduced boron and silicon content while maintaining a constant B/Si ratio, indicating progressive depolymerization...
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On the Structure and Volumetric Properties of Solvated Lanthanoid(III) Ions in Amide Solutions
PublicationThe coordination chemistry and the volumetric properties of three representative lanthanoid(III) ions lanthanum-(III), gadolinium(III), and lutetium(III) have been studied in three amide solvents with gradually increasing spatial demand upon coordination: N,N-dimethylformamide (dmf)
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Seismic pounding between adjacent buildings: Identification of parameters, soil interaction issues and mitigation measures
PublicationStructural pounding has been observed in many previous earthquakes due to insufficient gap commonly provided between adjacent structures. The collisions usually generate large impact forces and short duration acceleration pulses which may result in significant damage to the colliding buildings. Because of that, earthquake induced structural pounding has been intensively studied and investigated for the last three decades. Results...
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central European Array for Gamma Levels Evaluation at Heavy Ion Laboratory, University of Warsaw
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Electronic structure and time-dependent description of rotational predissociation of LiH
PublicationThe 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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Sum-over-state expressions including second-order Herzberg–Teller effects for the calculation of absorption and resonance Raman intensities
PublicationThe sum-over-state expressions are derived to calculate the second-order Herzberg–Teller (HT) effects in absorption and resonance Raman spectroscopies. These effects depend on the second derivatives of the transition dipole moment with respect to the vibrational coordinates. The method is applied to the molecule of 1,3-butadiene using density functional theory calculations. It is found that the second-order HT effects are significant...
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Production of singlet oxygen atoms by photodissociation of oxywater
PublicationQuantum chemical calculations are reported for the energies of the few lowest electronic singlet states of oxywater along dissociation of the oxygen-oxygen bond into water and singlet oxygen using multistate multireference second-order Møller–Plesset perturbation theory. We compute an energy of 21 kcal/mol to remove one oxygen atom in the lowest singlet state. The two lowest excited singlet states have vertical excitation energies...
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Multiple Group Membership and Collective Action Intention
PublicationDatasets from two studies conducted in Poland on the relation between identity fusion, group identification, multiple group membership, perceived injustice, and collective action intention. The presented studies, in the context of protests against attempts to restrict abortion law, were conducted to examine the link between belonging to multiple groups, group efficacy & identification, perceived injustice and collective...
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Solvation of alkaline earth metal ions in N,N-dimethylformamide and N,N-dimethylacetamide – A volumetric and acoustic study
PublicationDensities and sound velocities at temperatures (298.15, 303.15, 308.15, 313.15 and 318.15) K of magnesium(II), calcium(II) and strontium(II) rifluoromethanesulfonates (triflates), as well as barium(II) perchloratein N,N-dimethylformamide (dmf) and N,N-dimethylacetamide (dma) have been measured over the composition range studied. From these results, apparent molar volumes and apparent molar isentropic compressibilities at infinite...
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Naphthyl-vs. anthrylpyridine-2,6-dicarboxamides in cation binding studies. Synthesis and spectroscopic properties
PublicationPyridine-2,6-carboxamides bearing - or -naphthyl- and - or -anthryl- residues were prepared using simple method from pyridine-2,6-carboxylic acid dichloride and the respective aromatic amines. For the obtained receptors selective binding of lead(II), and copper(II) was found. Ion-receptor interactions were studied using UV-vis spectroscopy, spectrofluorimetry, 1H NMR, and FTIR spectroscopy. The reversible lead(II) and copper(II)...
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Electrochemical Activity of Electrode Material Consisting of Porous Copper and Silica Aerogel
PublicationElectrochemically obtained copper was combined with silica aerogel (SiO2ag). Obtained composite (SiO2@Cu/CuxOy) was tested as an electrode in contact with LiPF6 in EC/DMC electrolyte. The electrochemical measurements showed the presence of complex redox couple activities of SiO2@Cu/CuxOy. This experiment was employed to help in understanding the carbon role used as an electric contact for silica in Li-Ion batteries and clarify...
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Wybrane aspekty oceny jakości produktów żywnościowych
PublicationPrzedstawiono wybrane aspekty oceny jakości produk tów żywnościo- wych: pojęcie jakości, wybrane metody oceny jakości ze szczególnym uwzględ- nieniem sztucznych potencjometrycznych sensorów sma ku składających się z szeregu elektrod typu ISE (Ion Selective Electrodes ) oraz ASSE (All Solid State Electrodes). Omówiono działanie sztucznych sensorów smaku. Przedstawiono 10 potencjometryczny sensor wprowadzony do obrotu hand lowego....
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Green and Sustainable Membranes: A review
PublicationMembranes are ubiquitous tools for modern water treatment technology that critically eliminate hazardous materials such as organic, inorganic, heavy metals, and biomedical pollutants. Nowadays, nano-membranes are of particular interest for myriad applications such as water treatment, desalination, ion exchange, ion concentration control, and several kinds of biomedical applications. However, this state-of-the-art technology suffers...
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Bias-Dependent Dynamics of Degradation and Recovery in Perovskite Solar Cells
PublicationDegradation of perovskite solar cells (PSCs) is often found to be partially or fully reversible when the cells are allowed to recover in the dark. Unlike the dynamics of degradation, knowledge about the dynamics of PSC cell recovery is very limited. Here, we demonstrate that the PSC recovery strongly depends on the electrical bias conditions during the light-induced degradation and that it can be manipulated by applying an external...
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Lead In drinking water: Adsorption method and role of zeolitic imidazolate frameworks for its remediation: A review
PublicationDue to various characteristics properties lead(II) metal is utilized in many applications like lead ion batteries, water pipes, ammunition and paints. For this reason, concentration of lead(II) ions in water is increasing days by days which is alarming for water pollution. Water pollution is a major problem worldwide which affects biosphere badly, and causes continuous reduction of accessible sources of fresh water and ground water, available...
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Cu( II ) ions removal from wastewater using starch nanoparticles ( SNPs ): An Eco‐sustainable approach
PublicationThe complex structured starch particles were reduced to the nanoscale size range through hydrolysis utilizing low concentration acid assisted with ultrasound irradiation. The synthesized starch nanoparticles (SNPs) were characterized by TEM, FTIR, and XRD techniques. The synthesized SNPs possessed surface activated entities, as many cationic functional groups were confirmed through the FTIR spectrum. Also, these SNPs were effectively...
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A novel approach for processing CaAlSiON glass-ceramics by spark plasma sintering: Mechanical and electrical properties
PublicationLithium containing glassy materials can be used as solid electrolytes or electrode materials for lithium-ion batteries due to their high energy density. Conventional melt-quenched Ca11Al14Si16O49N10 glass powder containing 24 e/o N, doped with Li-ions (1, 3, and 6 wt. %) and sintered by spark plasma sintering technique (SPS) was studied. The benefits of using SPS to produce glass-ceramics are rapid heating rates compared to conventional...
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Nanodiamonds Doped with Manganese for Applications in Magnetic Resonance Imaging
PublicationNanodiamonds (NDs) are emerging with great potential in biomedical applications like biomarking through fluorescence and magnetic resonance imaging (MRI), targeted drug delivery, and cancer therapy. The magnetic and optical properties of NDs could be tuned by selective doping. Therefore, we report multifunctional manganese-incorporated NDs (Mn-NDs) fabricated by Mn ion implantation. The fluorescent properties of Mn-NDs were tuned...