Addressing the challenges of modeling the scattering from bottlebrush polymers in solution

Small‐angle scattering measurements of complex macromolecules in solution are used to establish relationships between chemical structure and conformational properties. Interpretation of the scattering data requires an inverse approach where a model is chosen and the simulated scattering intensity from that model is iterated to match the experimental scattering intensity. This raises challenges in the case where the model is an imperfect approximation of the underlying structure, or where there are significant correlations between model parameters. We examine three bottlebrush polymers (consisting of polynorbornene backbone and polystyrene side chains) in a good solvent using a model commonly applied to this class of polymers: the flexible cylinder model. Applying a series of constrained Monte‐Carlo Markov Chain analyses demonstrates the severity of the correlations between key parameters and the presence of multiple close minima in the goodness of fit space. We demonstrate that a shape‐agnostic model can fit the scattering with significantly reduced parameter correlations and less potential for complex, multimodal parameter spaces. We provide recommendations to improve the analysis of complex macromolecules in solution, highlighting the value of Bayesian methods. This approach provides richer information for understanding parameter sensitivity compared to methods which produce a single, best fit

Pentaquark implications for exotic mesons

If the exotic baryon $\Theta^+(1540)$ is a correlated $udud\bar{s}$ with $J^P = {1/2}^+$, then there should exist an exotic meson, $J^P = 1^-$ $\vartheta^+ (S=+2)$ $\to K^+K^0$ $\sim 1.6$GeV with width $O(10-100)$MeV. The $\pi_1(1400;1600)$ may be broad members of {\bf 10} $\pm$ \10bar in such a picture. Vector mesons in the 1.4 - 1.7GeV mass range are also compared with this picture

Contributors to the May Issue/Notes

Notes by John M. Anderton, Robert F. Burns, B. M. Apker, Thomas F. Broden, James A. Cassidy, John E. Cosgrove, and Robert S. Olivier

Contributors to the May Issue/Notes

Notes by John M. Anderton, Robert F. Burns, B. M. Apker, Thomas F. Broden, James A. Cassidy, John E. Cosgrove, and Robert S. Olivier

Feather growth rate and mass in nearctic passerines with variablemigratory behavior and molt pattern

Bird species vary greatly in the duration of their annual complete feather molt. However, such variation is not well documented in birds from many biogeographic areas, which restricts our understanding of the diversification of molt strategies. Recent research has revealed that molt duration can be estimated in passerines from ptilochronology-based measurements of the growth rate of their tail feathers. We used this approach to explore how molt duration varied in 98 Nearctic species that have different migratory strategies and molt patterns. As previously documented for Palearctic species, migration was associated with a shortening of molt duration among species that molted during summer on their breeding range. However, molts of winter-molting migratory species were as long as those of summer-molting sedentary species, which suggests that winter molt also allows Nearctic migrants to avoid the temporal constraints experienced during summer. Our results also suggest that migratory species that undergo a stopover molt within the Mexican monsoon region have the shortest molt duration among all Nearctic passerines. Interestingly, and contrary to expectations from a potential tradeoff between molt duration and feather quality, observed variation in feather growth rate was positively correlated with differences in tail feather mass, which may be caused by differences among groups in the availability of resources for molting. We encourage the use of similar approaches to study the variation in molt duration in other geographic areas where knowledge of the evolution of molt is limited.

Addressing the challenges of modeling the scattering from bottlebrush polymers in solution

Small‐angle scattering measurements of complex macromolecules in solution are used to establish relationships between chemical structure and conformational properties. Interpretation of the scattering data requires an inverse approach where a model is chosen and the simulated scattering intensity from that model is iterated to match the experimental scattering intensity. This raises challenges in the case where the model is an imperfect approximation of the underlying structure, or where there are significant correlations between model parameters. We examine three bottlebrush polymers (consisting of polynorbornene backbone and polystyrene side chains) in a good solvent using a model commonly applied to this class of polymers: the flexible cylinder model. Applying a series of constrained Monte‐Carlo Markov Chain analyses demonstrates the severity of the correlations between key parameters and the presence of multiple close minima in the goodness of fit space. We demonstrate that a shape‐agnostic model can fit the scattering with significantly reduced parameter correlations and less potential for complex, multimodal parameter spaces. We provide recommendations to improve the analysis of complex macromolecules in solution, highlighting the value of Bayesian methods. This approach provides richer information for understanding parameter sensitivity compared to methods which produce a single, best fit

Spectroscopic diagnostic for the mineralogy of large dust grains

We examine the thermal infrared spectra of large dust grains of different chemical composition and mineralogy. Strong resonances in the optical properties result in detectable spectral structure even when the grain is much larger than the wavelength at which it radiates. We apply this to the thermal infrared spectra of compact amorphous and crystalline silicates. The weak resonances of amorphous silicates at 9.7 and 18 micron virtually disappear for grains larger than about 10 micron. In contrast, the strong resonances of crystalline silicates produce emission dips in the infrared spectra of large grains; these emission dips are shifted in wavelength compared to the emission peaks commonly seen in small crystalline silicate grains. We discuss the effect of a fluffy or compact grain structure on the infrared emission spectra of large grains, and apply our theory to the dust shell surrounding Vega.Comment: Submitted to A&A Letter

Spectroscopic Observations of Convective Patterns in the Atmospheres of Metal-Poor Stars

Convective line asymmetries in the optical spectrum of two metal-poor stars, Gmb1830 and HD140283, are compared to those observed for solar metallicity stars. The line bisectors of the most metal-poor star, the subgiant HD140283, show a significantly larger velocity span that the expectations for a solar-metallicity star of the same spectral type and luminosity class. The enhanced line asymmetries are interpreted as the signature of the lower metal content, and therefore opacity, in the convective photospheric patterns. These findings point out the importance of three-dimensional convective velocity fields in the interpretation of the observed line asymmetries in metal-poor stars, and in particular, urge for caution when deriving isotopic ratios from observed line shapes and shifts using one-dimensional model atmospheres. The mean line bisector of the photospheric atomic lines is compared with those measured for the strong Mg I b1 and b2 features. The upper part of the bisectors are similar, and assuming they overlap, the bottom end of the stronger lines, which are formed higher in the atmosphere, goes much further to the red. This is in agreement with the expected decreasing of the convective blue-shifts in upper atmospheric layers, and compatible with the high velocity redshifts observed in the chromosphere, transition region, and corona of late-type stars.Comment: 27 pages, LaTeX; 10 Figures (14 PostScript files); to be published in The Astrophysical Journa