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"Line broadening"
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Exchange saturation transfer and associated NMR techniques for studies of protein interactions involving high-molecular-weight systems
A brief overview of theoretical and experimental aspects of the Dark state Exchange Saturation Transfer (DEST) and lifetime line broadening (\\[ R_2^\\]) NMR methodologies is presented from a physico-chemical perspective. We describe how the field-dependence of \\[ R_2^\\] can be used for determining the exchange regime on the transverse spin relaxation time-scale. Some limitations of DEST/\\[ R_2^\\] methodology in applications to molecular systems with intermediate molecular weights are discussed, and the means of overcoming these limitations via the use of closely related exchange NMR techniques is presented. Finally, several applications of DEST/\\[ R_2^\\] methodology are described from a methodological viewpoint, with an emphasis on providing examples of how kinetic and relaxation parameters of exchange can be reliably extracted from the experimental data in each particular case.
Journal Article
Reflection splitting-induced microstrain broadening
Crystal structure determination on the basis of powder diffraction data frequently involves the question how the given diffraction data with some appreciably hkl-dependent line broadening should be interpreted. In many cases, such line broadening may either: (i) reasonably well be reconciled with a certain high-symmetry structure model or (ii) with a variant of the former with lower symmetry crystal family, which frequently will give a somewhat better fit in Rietveld refinement. In this work, it is shown mathematically that symmetry reduction induced reflection spitting masked by other line broadening contributions, thus leading to some reflection splitting-induced line broadening, shows a similar hkl dependence as typically adopted for anisotropic microstrain broadening with respect to the high-symmetry structure. This implies that Rietveld refinement on the basis of the low-symmetry model (including typically isotropic line broadening) and on the basis of the high-symmetry model with anisotropic microstrain broadening can both lead to similar qualities of the fit. Hence, the refinement results for both possibilities should be carefully considered in combination with possibly available additional information (e.g. results of first-principles calculations) to arrive at adequate conclusions concerning the true symmetry of the material under investigation.
Journal Article
Preparation of manganese-doped ZnO thin films and their characterization
In this study, pure and manganese-doped zinc oxide (Mn:ZnO) thin films were deposited on quartz substrate following successive ion layer adsorption and reaction (SILAR) technique. The film growth rate was found to increase linearly with number of dipping cycle. Characterization techniques of XRD, SEM with EDX and UV–visible spectra measurement were done to investigate the effect of Mn doping on the structural and optical properties of Mn:ZnO thin films. Structural characterization by X-ray diffraction reveals that polycrystalline nature of the films increases with increasing manganese incorporation. Particle size evaluated using X-ray line broadening analysis shows decreasing trend with increasing manganese impurification. The average particle size for pure ZnO is 29·71 nm and it reduces to 23·76 nm for 5% Mn-doped ZnO. The strong preferred
c
-axis orientation is lost due to manganese (Mn) doping. The degree of polycrystallinity increases and the average microstrain in the films decreases with increasing Mn incorporation. Incorporation of Mn was confirmed from elemental analysis using EDX. As the Mn doping concentration increases the optical bandgap of the films decreases for the range of Mn doping reported here. The value of fundamental absorption edge is 3·22 eV for pure ZnO and it decreases to 3·06 eV for 5% Mn:ZnO.
Journal Article
Anomalous Mössbauer line broadening for nanosized hydrous ferric oxide cores in ferritin and its pharmaceutical analogue Ferrum Lek in the temperature range 295–90 K
Mössbauer spectra of ferritin and its pharmaceutical analogue Ferrum Lek, both containing nanosized hydrous ferric oxides cores in the forms of ferrihydrite and akaganéite, respectively, were measured in the temperature range 295–90 K. An anomalous line broadening with temperature decrease was observed for ferritin below ~150 K and for Ferrum Lek below ~130 K. Some anomalies were also observed below these temperatures for spectral area and quadrupole splitting.
Journal Article
Ultra-narrow room-temperature emission from single CsPbBr3 perovskite quantum dots
Semiconductor quantum dots have long been considered artificial atoms, but despite the overarching analogies in the strong energy-level quantization and the single-photon emission capability, their emission spectrum is far broader than typical atomic emission lines. Here, by using ab-initio molecular dynamics for simulating exciton-surface-phonon interactions in structurally dynamic CsPbBr
3
quantum dots, followed by single quantum dot optical spectroscopy, we demonstrate that emission line-broadening in these quantum dots is primarily governed by the coupling of excitons to low-energy surface phonons. Mild adjustments of the surface chemical composition allow for attaining much smaller emission linewidths of 35−65 meV (vs. initial values of 70–120 meV), which are on par with the best values known for structurally rigid, colloidal II-VI quantum dots (20−60 meV). Ultra-narrow emission at room-temperature is desired for conventional light-emitting devices and paramount for emerging quantum light sources.
Narrow emission is desired for light-emitting devices. Here, Kovalenko et al. demonstrate that the emission line-broadening in perovskite quantum dots is dominated by the coupling between excitons and surface phonon modes which can be controlled by minimal surface modifications.
Journal Article
The Atmospheric Response to High Nonthermal Electron-beam Fluxes in Solar Flares. II. Hydrogen-broadening Predictions for Solar Flare Observations with the Daniel K. Inouye Solar Telescope
Redshifted components of chromospheric emission lines in the hard X-ray impulsive phase of solar flares have recently been studied through their 30 s evolution with the high resolution of the Interface Region Imaging Spectrograph. Radiative-hydrodynamic flare models show that these redshifts are generally reproduced by electron-beam-generated chromospheric condensations. The models produce large ambient electron densities, and the pressure broadening of the hydrogen Balmer series should be readily detected in observations. To accurately interpret the upcoming spectral data of flares with the DKIST, we incorporate nonideal, nonadiabatic line-broadening profiles of hydrogen into the RADYN code. These improvements allow time-dependent predictions for the extreme Balmer line wing enhancements in solar flares. We study two chromospheric condensation models, which cover a range of electron-beam fluxes (1 − 5 × 1011 erg s−1 cm−2) and ambient electron densities (1 − 60 × 1013 cm−3) in the flare chromosphere. Both models produce broadening and redshift variations within 10 s of the onset of beam heating. In the chromospheric condensations, there is enhanced spectral broadening due to large optical depths at Hα, Hβ, and Hγ, while the much lower optical depth of the Balmer series H12−H16 provides a translucent window into the smaller electron densities in the beam-heated layers below the condensation. The wavelength ranges of typical DKIST/ViSP spectra of solar flares will be sufficient to test the predictions of extreme hydrogen wing broadening and accurately constrain large densities in chromospheric condensations.
Journal Article
Preparation of cadmium-doped ZnO thin films by SILAR and their characterization
Cadmium-doped zinc oxide (Cd : ZnO) thin films were deposited from sodium zincate bath following a chemical dipping technique called successive ion layer adsorption and reaction (SILAR). Structural characterization by X-ray diffraction reveals that polycrystalline nature of the films increases with increasing cadmium incorporation. Particle size evaluated using X-ray line broadening analysis shows decreasing trend with increasing cadmium impurification. The average particle size for pure ZnO is 36·73 nm and it reduces to 29·9 nm for 10% Cd:ZnO, neglecting strain broadening. The strong preferred
c
-axis orientation is lost due to cadmium doping and degree of polycrystallinity of the films also increases with increasing Cd incorporation. Incorporation of cadmium was confirmed from elemental analysis using EDX. The optical bandgap of the films decreases with increasing Cd dopant. The value of fundamental absorption edge is 3·18 eV for pure ZnO and it decreases to 3·11 eV for 10% Cd:ZnO.
Journal Article
Environmental Evidence for Overly Massive Black Holes in Low-mass Galaxies and a Black Hole–Halo Mass Relation at z ∼ 5
JWST observations have unveiled faint active galactic nuclei (AGNs) at high redshift that provide insights into the formation of supermassive black holes (SMBHs). However, disentangling their stellar from AGN light is challenging. Here, we use an empirical approach to infer the average stellar mass of five faint broad-line (BL) Hα emitters at z = 4–5 with BH masses ≈6 × 106 M⊙, with a method independent of their spectral energy distribution (SED). We use the deep JWST/NIRcam grism survey “All the Little Things” to measure the overdensities around BL-Hα emitters and around a spectroscopic reference sample of ∼300 galaxies. In our reference sample, we find that megaparsec-scale overdensity correlates with stellar mass. Their large-scale environments suggest that BL-Hα emitters are hosted by galaxies with stellar masses ≈5 × 107 M⊙, ≈40 times lower than those inferred from galaxy-only SED fits. Adding measurements around more luminous z ≈ 6 AGNs, we find tentative correlations between line width, BH mass, and the overdensity, suggestive of a steep BH to halo mass relation. The main implications are (1) when BH masses are taken at face value, we confirm extremely high BH to stellar mass ratios of ≈10%, (2) the galaxies of low stellar mass that host growing SMBHs are in tension with typical hydrodynamical simulations, except those without feedback, (3) a 1% duty cycle implied by the host mass hints at super-Eddington accretion, (4) the masses are at odds with an interpretation of the line broadening in terms of high stellar density, (5) our results imply a luminosity-dependent diversity of galaxy masses, environments, and SEDs among AGN samples.
Journal Article
Sun-as-a-star Analysis of Hα Spectra of a Solar Flare Observed by SMART/SDDI: Time Evolution of Red Asymmetry and Line Broadening
Stellar flares sometimes show red/blue asymmetries of the Hα line, which can indicate chromospheric dynamics and prominence activations. However, the origin of asymmetries is not completely understood. For a deeper understanding of stellar data, we performed a Sun-as-a-star analysis of Hα line profiles of an M4.2-class solar flare showing dominant emissions from flare ribbons by using the data of the Solar Dynamics Doppler Imager on board the Solar Magnetic Activity Research Telescope at the Hida Observatory. Sun-as-a-star Hα spectra of the flare show red asymmetry of up to ∼95 km s−1 and line broadening of up to ∼7.5 Å. The Sun-as-a-star Hα profiles are consistent with spectra from flare regions with weak intensity, but they take smaller redshift velocities and line widths by a factor of ∼2 than those with strong intensity. The redshift velocities, as well as line widths, peak out and decay more rapidly than the Hα equivalent widths, which is consistent with the chromospheric condensation model and spatially resolved flare spectra. This suggests that as a result of superposition, the nature of chromospheric condensation is observable even from stellar flare spectra. The time evolution of redshift velocities is found to be similar to that of luminosities of near-ultraviolet rays (1600 Å), while the time evolution of line broadening is similar to that of optical white lights. These Hα spectral behaviors in Sun-as-a-star view could be helpful to distinguish whether the origin of Hα red asymmetry of stellar flares is a flare ribbon or other phenomena.
Journal Article