Intensities Of Resonance Lines Research Articles

Structural, thermal and physical properties of cesium doped molybdenum-copper-lead glass

The influence of Cs2O content on MoO3CuO-PbO2 vitreous system has been investigated. The obtained samples labeled as: S1, S2, S3, and S4 respectively, with respect to Cs2O content were synthesized by the melt-quenching method. The Cs2O addition up to S3 sample increases the hardness, density and LAC values from 3.23 to 3.52 GPa, 6.553 to 6.906 g/cm3 and 588.50 to 610.39 cm−1 respectively, and decrease the Vm, HVL and MFP values. For S4 sample, reverse trends were observed. X-ray diffraction pattern reveals the presence of amorphous structure in the S1-S3 samples but further Cs2O addition, S4 sample leading to the formation of multiple crystalline phases. The FTIR spectra indicated that the structural unit distributions of the glasses network: [PbOn], [CuOn], and molybdate species [MoO6], [MoO4]2− and [Mo2O7]2− depends on the Cs2O content. The resonance line intensity of the Cu2+ ions gradually diminishes by addition of Cs2O.

High-temperature treated TiO2modified with 3-aminopropyltriethoxysilane as photoactive nanomaterials

AbstractA series of titanium dioxide (TiO2) modified with 3-aminopropyltriethoxysilane (APTES) was prepared by high-temperature calcination in an argon atmosphere in the temperature range from 800 to 1,000°C. The properties of the obtained samples were compared with those of pure TiO2annealed under the same conditions. Examining electron paramagnetic resonance (EPR) parameters at room temperature for APTES–TiO2showed an intense resonance line from defects related to conducting electrons withgefffrom 2.0028 to 2.0026 and 1.9052 for temperatures 800, 900, and 1,000°C, respectively, while for pure calcined TiO2, these ERP lines were not observed. With the increase in the calcination temperature to 900°C for APTES–TiO2samples, the EPR increases linearly. This has been combined with a relatively high anatase content and small crystallites. The EPR line intensity at RT calculated for 1 g of sample showed an almost linear relationship with the photoactivity in removing ORANGE II dyes from water.

Study of Stark broadening of krypton helium-β lines and estimation of electron density and temperature in NIF compressed capsules

The National Ignition Facility (NIF) diagnostic instrument manipulator (DIM) - based high resolution (dHIRES) x-ray spectrometer was used to measure the time evolution of the electron density (n e) and temperature (T e) in the hot spot of four NIF compressed capsules with 25 ps time resolution during the ‘stagnation’ phase. The electron density was inferred by comparing the measured Stark broadening of the krypton (Kr) Heβ spectral complex with theoretical calculations that include ion dynamic effects, and the electron temperature was inferred by comparing the measured ratio of the intensity of a dielectronically excited Li-like Kr line to the intensity of the Kr Heβ resonance line with calculations using the spectroscopic collisional radiative atomic model (SCRAM) and CRETIN collisional-radiative models. The inferred, time averaged n e values mainly agree with n e values from neutron diagnostics within uncertainties, but the neutron time-of-flight values of T ion are consistently higher than dHIRES T e values by 200–700 eV. The dHIRES measurements and measurement techniques, method of uncertainty analysis, and discussion of comparisons with measurements from neutron diagnostics are presented.

Nuclear magnetic resonance studies on conformation and stability of mastoparan in methanol.

Mastoparan is a small peptide composed of 14 amino acid residues found in wasp venom. It penetrates into cytoplasm through the cell membranes and then binds to a G protein to stimulate the release of histamine. Conformation and its thermal stability of mastoparan from Vespula lewisi (MP) in methanol are investigated by using proton nuclear magnetic resonance (NMR) spectroscopy. On the basis of data on NOESY cross peaks, spin-spin coupling constants between an amide proton (NH) and an α-proton, NH chemical shift analyses, and temperature dependence of integrated intensity of NH resonance lines, we found that MP forms the helix between the 5th and 12th residues at low temperatures and the helix segment is maintained even at 54°C. This conformation is similar to that of MP bound to detergent micelles, and hence, methanol is considered to be appropriate as a membrane mimetic for MP. In connection with the function of the venom peptide, significance of high stability of the helical conformation is discussed.

X-Ray Spectroscopy in the Microcalorimeter Era. III. Line Formation under Case A, Case B, Case C, and Case D in H- and He-like Iron for a Photoionized Cloud

Abstract Future microcalorimeter X-ray observations will resolve spectral features in unmatched detail. Understanding of line formation processes in X-rays deserves much attention. The purpose of this paper is to discuss such processes in the presence of a photoionizing source. Line formation processes in one- and two-electron species are broadly categorized into four cases. Case A occurs when the Lyman line optical depths are very small and photoexcitation does not occur. Line photons escape the cloud without any scattering. Case B occurs when the Lyman line optical depths are large enough for photons to undergo multiple scatterings. Case C occurs when a broadband continuum source strikes an optically thin cloud. The Lyman lines are enhanced by induced radiative excitation of the atoms/ions by continuum photons, also known as continuum pumping. A fourth, less studied scenario, where the Case B spectrum is enhanced by continuum pumping, is called Case D. Here, we establish the mathematical foundation of Cases A, B, C, and D in an irradiated cloud with Cloudy. We also show the total X-ray emission spectrum for all four cases within the energy range 0.1–10 keV at the resolving power of XRISM around 6 keV. Additionally, we show that the combined effect of electron scattering and partial blockage of continuum pumping reduces the resonance line intensities. Such reduction increases with column density and can serve as an important tool to measure the column density/optical depth of the cloud.

Magnetic moment centers in titanium dioxide photocatalysts loaded on reduced graphene oxide flakes

Abstract A whole series of titania nanocomposites modified with reduced graphene oxide (rGO) was prepared using solvothermal method followed by calcination. Modification of titania with rGO has been found to lead to better photocatalytic properties. The highest photocatalytic performance was obtained at calcination temperature of 600°C. Electron paramagnetic resonance/ferromagnetic resonance measurements showed oxygen defects and ferromagnetic ordering systems. The linewidth of resonance line of oxygen defects decreased linearly with calcination temperature increasing up to 600°C and an accompanying growth of mean crystallite size of anatase phase. The integrated resonance line intensity of oxygen defects depended on the calcination temperature and caused a very large increase in the intensity of resonance lines originating from oxygen defects, because inert atmosphere of calcination was enhanced by graphene presence. The occurrence of magnetic ordering system significantly influenced the performance of photocatalytic processes by changing the amount of oxygen defects.

Analyzing x-ray emission of target impurities to determine the parameters of recombining laser plasma

In this work, the possibility of the implementation of impurities in the compositions of solid thick targets irradiated by intense lasers is discussed in order to solve problems of optically-thick plasma diagnostics. Calculations were conducted for relative intensities of oxygen resonance lines (H-like—3p–1s, 4p–1s, 5p–1s, 6p–1s, 7p–1s transitions) in a recombination quasi-stationary model to obtain plasma parameters. In the experiment with 0.6 ns, 40 J laser pulses focused to 600 μm focal spot at solid polyvinylidene chloride target the parameters of plasma jet stopped by solid oxidized Teflon obstacle were studied by means of spatially-resolved x-ray spectroscopy.

Ferromagnetism observed in silicon-carbide-derived carbon

Carbide-derived carbon (CDC) is prepared by etching high purity 4H-SiC single crystals in a mixed atmosphere of 5% ${\mathrm{Cl}}_{2}$ and 95% Ar for 120 min and 240 min. The secondary ion mass spectroscopy (SIMS) bulk analysis technique excludes the possibility of ferromagnetic transition metal (TM) contamination arising during the experimental process. The paramagnetic and ferromagnetic components are separated from the measured magnetization-magnetic field curves of the samples. Through the use of the Brillouin function, paramagnetic centers carrying a magnetic moment of $\ensuremath{\sim}1.3\phantom{\rule{0.28em}{0ex}}{\ensuremath{\mu}}_{B}$ are fitted. A resolvable hysteresis loop in the low magnetic field area is preserved at room temperature. The temperature dependence of the relative intensity of the Lorentzian-like electron spin resonance (ESR) line observed by electron spin spectroscopy reveals the existence of exchange interaction between the localized paramagnetic centers. First-principles calculations show the dominant configuration of defects in the graphitic CDC films. By calculating the energy difference between the antiferromagnetic and ferromagnetic phases, we deduce that the ferromagnetic coupling is sensitive to the concentration of defects.

X-ray diagnostics of plasma generated during collisions of plasma flows

Diagnostics of the high-temperature plasma formed during plasma flow collisions by comparing observable intensities of various x-ray spectral lines to accurate kinetic calculation results is discussed. Kinetic calculations have shown that using the resonance line intensity ratio of He-like Ne IX and 3p–2s Li-like Ne VIII is the most convenient way to measure neon-containing plasma temperatures. Experimental research results of the pulse soft (0.1–1 keV) x-ray source with a total energy up to 50 kJ are shown. The radiation pulse is generated during a head-on collision of two low-temperature plasma flows immersed in a longitudinal magnetic field. The plasma flows with the velocities up to 4 × 107 cm/s and total energy up to 200 kJ are formed by a coaxial accelerator operating in pulse gas puffing mode. Neon was used as an inflating gas. Electron temperature for a plasma containing Ne ions is about 160–170 eV. Electron density around the collision region is in the range 1016–1017 cm−3.

Investigation of radiosterilization feasibility of sulfamethoxazole by ESR spectroscopy

ABSTRACTIn the present study, the spectroscopic features of the radiolytic intermediates that were produced in gamma-irradiated (5, 10, 25 and 50 kGy) sulfamethoxazole (SMX) have been investigated by electron spin resonance (ESR) spectroscopy and the radiation sterilization feasibility of SMX by ionizing radiation was examined. Gamma-irradiated SMX exhibited a complex ESR spectrum consisting of 13 resonance lines where spectral parameters for the central resonance line were found to be g = 2.0062 and ΔHpp = 0.6 mT. The radiation yield of SMX was calculated to be relatively low (G = 0.1) by ESR spectroscopy and no meaningful difference was observed in the comparison of unirradiated and 50 kGy gamma irradiated SMX by the Fourier transform infrared (FT-IR) technique, confirming that SMX is a radioresistive material. Although SMX could not be accepted to be a good dosimetric material, the identification of irradiated SMX from the unirradiated sample was possible even for the low absorbed radiation doses and for a relatively long time (three months) after the irradiation process. Decay activation energy of the radical species, which is mostly responsible for the central intense resonance line, is calculated to be 45.15 kJ/mol by using the signal intensity decay data derived from annealing studies. Four radical species with different spectroscopic properties were accepted to be responsible for the ESR spectra of gamma-irradiated SMX, by simulation calculations. It is concluded that SMX and SMX-containing drugs can be sterilized by gamma radiation and ESR spectroscopy is an appropriate technique for the characterization of these induced radical intermediates during the gamma irradiation process of SMX. Toxicology tests should also be done for its safe usage.

EPR spectral investigation of radiation-induced radicals of gallic acid.

In the present work, spectroscopic features of the radiation-induced radicals of gallic acid compounds were investigated using electron paramagnetic resonance (EPR) spectroscopy. While un-irradiated samples presented no EPR signal, irradiated samples exhibited an EPR spectrum consisting of an intense resonance line at the center and weak lines on both sides. Detailed microwave saturation investigations were carried out to determine the origin of the experimental EPR lines. It is concluded that the two side lines of the triplet satellite originate from forbidden "spin-flip" transitions. The spectroscopic and structural features of the radiation-induced radicals were determined using EPR spectrum fittings. The experimental EPR spectra of the two gallic acid compounds were consistent with the calculated EPR spectroscopic features of the proposed radicals. It is concluded that the most probable radicals are the cyclohexadienyl-type, [Formula: see text] radicals for both compounds.

Feasibility of radiation sterilization and dosimetric features of ampicillin: an electron spin resonance study

ABSTRACTIn the present work, it was aimed to identify radical species produced by gamma irradiation (3–34 kGy) of solid ampicillin, to determine its spectroscopic, dosimetric, stability and kinetic behavior, and to investigate feasibility of the radiation sterilization feature of ampicillin by using electron spin resonance (ESR) spectroscopy. ESR experiments were performed at low and high temperatures (130–400 K) to examine the characteristic properties of the radical intermediates that are produced in ampicillin by gamma radiation treatment. Unirradiated ampicillin presented no ESR signal but irradiated samples exhibited ESR spectra with four resonance peaks spread over a magnetic field range of 8 mT. The spectral parameters of the central resonance line of the spectrum are g = 2.0044 and ΔHpp = 0.08 mT. An exponential growth function of the applied dose was found to describe best the experimental dose–response data and it was found that ampicillin did not exhibit the feature of a good dosimetric material as its ESR intensity was relatively weak even for the samples irradiated at high level of doses. Gmean value of gamma-irradiated ampicillin was found to be 4.6 ± 0.9 × 10−9 mol/J, which is very small compared to irradiated alanine solid sample. However, the discrimination of irradiated ampicillin from unirradiated one was possible even ∼3 months after storage at normal conditions. The simulation calculations indicated that gamma irradiation created two different radical species in solid ampicillin. Decay activation energy of the radical species which is mostly responsible from central intense resonance line is calculated to be 55.6 ± 3.2 kJ/mol by using the signal intensity decay data derived from annealing studies. It was concluded that ampicillin could be sterilized by gamma radiation and ESR spectroscopy can be used as a potential technique to monitor its radiosterilization process.

The influence of an external cavity on the emission spectrum of a mercury germicidal lamp

The spectrum of emission from the cylindrical duralumin cavity of a TUV 8wG8 T5 UV industrial germicidal mercury lamp is studied. It is shown that, due to reflection from the inner surface of the cavity and reabsorption in the gas discharge, the resonance line of a mercury atom is significantly weakened. The dependence of the resonance line intensity on the discharge current has a maximum, and the discharge current corresponding to the intensity maximum depends on the reflection coefficient of the inner surface of the cavity.

Identification of radical structures on 1-pentamethylbenzyl-3-ethylimidazoliumsilver(I)bromide and 1,3-bis(pentamethylbenzyl)-4,5-dimethylbenzimidazoliumsilver(I)bromide exposed to gamma rays: an EPR study.

1-Pentamethylbenzyl-3-ethylimidazoliumsilver(I)bromide and 1,3-bis(pentamethylbenzyl)-4,5dimethylbenzimidazoliumsilver(I)bromide and their Ag+ complexes were synthesized and their polycrystal forms were produced by recrystallization in dichloromethane/Et2 O solvent system. Structural determinations were carried out by 1 H NMR and 13 C NMR with a Varian 400 NMR system using tetramethylsilane as internal standard and CDCl3 as solvent. The disappearance of acidic N-heterocyclic carbene proton showed the formation of Ag(I) complexes. Also, elemental analyses were carried out. Electron paramagnetic resonance (EPR) measurements were performed to determine the formed radical structure on the samples irradiated at the room temperature for 72 h by using 60 Co-source with dose rate of 0.680 kGy. The EPR measurements were carried out in the temperature range of 200 K-450 K. Identical radicals were determined on the irradiated compounds. It was observed that the shapes of the spectra of the samples were independent of the temperature but, the resonance line intensities changed linearly with the temperature. Also, it was detected that the free radical on the 1-pentamethylbenzyl-3-ethylimidazoliumsilver(I)bromide is not stable compared to that on the 1,3-bis(pentamethylbenzyl)-4,5dimethylbenzimidazoliumsilver(I)bromide. Copyright © 2016 John Wiley & Sons, Ltd.

Investigation of radiosterilization of Benzydamine Hydrochloride by electron spin resonance spectroscopy

The use of ionizing radiation for sterilization of pharmaceuticals is an attractive and growing technology. In the present work, the spectroscopic and kinetic features of the radicals induced in gamma irradiated solid Benzydamine Hydrochloride (BH) sample is investigated in the dose range of 3–34kGy at different temperatures using Electron Spin Resonance (ESR) spectroscopy. Gamma irradiated BH indicated eight resonance peaks centered at g=2.0029 originating from two different radical species. Decay activation energy of the radical mostly responsible from central intense resonance line was calculated to be 25.6±1.5kJ/mol by using the signal intensity decay data derived from annealing studies performed at high temperatures. A linear function of the applied dose was found to describe best the experimental dose-response data. However, the discrimination of irradiated BH from unirradiated one was possible even 3 months after storage at normal conditions. Basing on these findings it was concluded that BH and BH containing drugs could be safely sterilized by gamma radiation and that ESR spectroscopy could be successfully used as a potential technique for monitoring their radiosterilizations.

On the Dependence of the Electron Paramagnetic Resonance Line Intensities on the Microwave Field Orientation

Electron paramagnetic resonance (EPR) spectra of Ni-doped gallium borate show a surprisingly pronounced dependence of certain line intensities on the orientation of the microwave field B 1 with respect to the crystal axes. In order to account for this dependence, we have considered in detail the B 1 caused perturbation matrix and obtained an expression of the angular dependence of transition probabilities between spin levels. Computer-generated EPR spectra taking into account this dependence provide good fits to the experimental spectra characteristics.

Electron Magnetic Resonance Studies of Nanosized Nd0.65Ca0.35 Mn1−xCrxO3 (x = 0, 0.06, 0.1) Manganite

We report a systematic investigation of the temperature dependence of electron magnetic resonance (EMR) line width, intensity and resonance field for ~25 nm Nd0.65Ca0.35MnO3 (NCMO1), Nd0.65Ca0.35Mn0.94Cr0.06O3 (NCMO2) and Nd0.65Ca0.35Mn0.9Cr0.1O3 (NCMO3) nanoparticles prepared by sol–gel method. The EMR line widths for the three nano-samples differ significantly from one another below a temperature T min where the line width has a minimum. T min was found to be 130, 100 and 120 K for NCMO1, NCMO2 and NCMO3, respectively. Well above T min the line width values for the three samples are close to one another. The sharp upturn of EMR line width below T min is attributed to the formation of short range, ferromagnetically ordered clusters. Temperature dependence of EMR intensity shows a residual CO transition in NCMO1 and NCMO2 and a complete disappearance of it in NCMO3. The intensity undergoes significant increase below 120, 80 and 100 K for NCMO1, NCMO2 and NCMO3, respectively, indicating the onset of ferromagnetic transitions. The occurrence of ferromagnetic transition is further confirmed by magnetization hysteresis measurements. The decrease in T C in NCMO2 and NCMO3 compared to NCMO1 nanoparticles is understood to be due to the destruction of the double-exchange interaction by chromium doping. The resonance field decreases below the ferromagnetic onset temperatures for all the samples as expected. The combined effects of the reduction in size and of chromium doping in Mn site are discussed.

Study of nitrogen flowing afterglow with mercury vapor injection.

The reaction kinetics in nitrogen flowing afterglow with mercury vapor addition was studied by optical emission spectroscopy. The DC flowing post-discharge in pure nitrogen was created in a quartz tube at the total gas pressure of 1000 Pa and discharge power of 130 W. The mercury vapors were added into the afterglow at the distance of 30 cm behind the active discharge. The optical emission spectra were measured along the flow tube. Three nitrogen spectral systems--the first positive, the second positive, and the first negative, and after the mercury vapor addition also the mercury resonance line at 254 nm in the spectrum of the second order were identified. The measurement of the spatial dependence of mercury line intensity showed very slow decay of its intensity and the decay rate did not depend on the mercury concentration. In order to explain this behavior, a kinetic model for the reaction in afterglow was developed. This model showed that the state Hg(6 (3)P1), which is the upper state of mercury UV resonance line at 254 nm, is produced by the excitation transfer from nitrogen N2(A ³Σ(u)⁺) metastables to mercury atoms. However, the N2(A ³Σ(u)⁺) metastables are also produced by the reactions following the N atom recombination, and this limits the decay of N2(A ³Σ(u)⁺) metastable concentration and results in very slow decay of mercury resonance line intensity. It was found that N atoms are the most important particles in this late nitrogen afterglow, their volume recombination starts a chain of reactions which produce excited states of molecular nitrogen. In order to explain the decrease of N atom concentration, it was also necessary to include the surface recombination of N atoms to the model. The surface recombination was considered as a first order reaction and wall recombination probability γ = (1.35 ± 0.04) × 10(-6) was determined from the experimental data. Also sensitivity analysis was applied for the analysis of kinetic model in order to reveal the main control parameters in the model.

Simultaneous determination of As and Sb in soil using hydride generation capacitively coupled plasma microtorch optical emission spectrometry – comparison with inductively coupled plasma optical emission spectrometry

A method using a miniature analytical system based on hydride generation capacitively coupled plasma microtorch optical emission spectrometry with a QE65 Pro microspectrometer was developed and evaluated for the simultaneous determination of As and Sb in soil samples. The use of this microspectrometer allows the examination of the spectral range between 190 and 220 nm where the continuum background emission of the plasma is low and the most intense resonance lines As 193.759; 197.262 nm and Sb 206.833; 217.581 nm are located. The method involves microwave-assisted digestion of samples in aqua regia, prereduction of As(V) and Sb(V) to their (+3) species with 0.3% L-cysteine by heating in a boiling water bath at 90 ± 5 °C and hydride generation in 0.01 mol L−1 HCl (pH = 2.00 ± 0.01) medium with 0.5% NaBH4 solution. The method was optimized in order to provide the simultaneous determination of As and Sb. The figures of merit were evaluated at different emission wavelengths under the optimum conditions of plasma microtorch operation (10 W, 150 mL min−1 Ar), and the best performances were obtained at 193.759 nm (As) and 217.581 nm (Sb). The figures of merit of the method were compared to those of the traditional hydride generation inductively coupled plasma optical emission spectrometry taken as a reference method. Analysis of CRMs revealed recoveries of 101 ± 9% As and 102 ± 3% Sb comparable to 102 ± 7% As and 98 ± 4% Sb in the reference method. The precision of determinations was 2–10% for 90–210 mg kg−1 As and 40–130 mg kg−1 Sb, close to 3–8% in hydride generation inductively coupled plasma optical emission spectrometry. The Bland and Altman test performed on 10 soil samples indicated no significant difference between the results obtained by the two methods, so that the miniature analytical system could be successfully applied for As and Sb monitoring in environmental samples. The proposed method is attractive in terms of analytical costs due to limited consumption of high purity HCl, power and Ar to sustain the plasma, and therefore more advantageous than hydride generation inductively coupled plasma optical emission spectrometry.

A solid-state nuclear magnetic resonance study of post-plasma reactions in organosilicone microwave plasma-enhanced chemical vapor deposition (PECVD) coatings.

Plasma-polymerized organosilicone coatings can be used to impart abrasion resistance and barrier properties to plastic substrates such as polycarbonate. Coating rates suitable for industrial-scale deposition, up to 100 nm/s, can be achieved through the use of microwave plasma-enhanced chemical vapor deposition (PECVD), with optimal process vapors such as tetramethyldisiloxane (TMDSO) and oxygen. However, it has been found that under certain deposition conditions, such coatings are subject to post-plasma changes; crazing or cracking can occur anytime from days to months after deposition. To understand the cause of the crazing and its dependence on processing plasma parameters, the effects of post-plasma reactions on the chemical bonding structure of coatings deposited with varying TMDSO-to-O2 ratios was studied with (29)Si and (13)C solid-state magic angle spinning nuclear magnetic resonance (MAS NMR) using both single-pulse and cross-polarization techniques. The coatings showed complex chemical compositions significantly altered from the parent monomer. (29)Si MAS NMR spectra revealed four main groups of resonance lines, which correspond to four siloxane moieties (i.e., mono (M), di (D), tri (T), and quaternary (Q)) and how they are bound to oxygen. Quantitative measurements showed that the ratio of TMDSO to oxygen could shift the chemical structure of the coating from 39% to 55% in Q-type bonds and from 28% to 16% for D-type bonds. Post-plasma reactions were found to produce changes in relative intensities of (29)Si resonance lines. The NMR data were complemented by Fourier transform infrared (FTIR) spectroscopy. Together, these techniques have shown that the bonding environment of Si is drastically altered by varying the TMDSO-to-O2 ratio during PECVD, and that post-plasma reactions increase the cross-link density of the silicon-oxygen network. It appears that Si-H and Si-OH chemical groups are the most susceptible to post-plasma reactions. Coatings produced at a low TMDSO-to-oxygen ratio had little to no singly substituted moieties, displayed a highly cross-linked structure, and showed less post-plasma reactions. However, these chemically more stable coatings are less compatible mechanically with plastic substrates, because of their high stiffness.