1,002 research outputs found
Inelastic Rate Coefficients for Collisions of C₆Hˉ with H₂ and He
The recent detection of anions in the interstellar medium has shown that they exist in a variety of astrophysical environments -- circumstellar envelopes, cold dense molecular clouds and star-forming regions. Both radiative and collisional processes contribute to molecular excitation and de-excitation in these regions so that the ‘local thermodynamic equilibrium’ approximation, where collisions cause the gas to behave thermally, is not generally valid. Therefore, along with radiative coefficients, collisional excitation rate coefficients are needed to accurately model the anionic emission from these environments. We focus on the calculation of state-to-state rate coefficients of the C6H- molecule in its ground vibrational state in collisions with para-H2, ortho-H2 and He using new potential energy surfaces. Dynamical calculations for the pure rotational excitation of C6H- were performed for the first 11 rotational levels (up to j1 = 10) using the close-coupling method, while the coupled-states approximation was used to extend the H2 rate coefficients to j1 = 30, where j1 is the angular momentum quantum number of C6H-. State-to-state rate coefficients were obtained for temperatures ranging from 2 to 100 K. The rate coefficients for H2 collisions for Δj1 = −1 transitions are of the order of 10-10 cm3 s-1, a factor of 2 to 3 greater than those of He. Propensity rules are discussed. The collisional excitation rate coefficients produced here impact astrophysical modelling since they are required for obtaining accurate C6H- level populations and line emission for regions that contain anions
The First Potential Energy Surfaces for the C₆Hˉ-H₂ and C₆Hˉ-He Collisional Systems and their Corresponding Inelastic Cross Sections
Molecular anions have recently been detected in the interstellar and circumstellar media. Accurate modeling of their abundance requires calculations of collisional data with the most abundant species that are usually He atoms and H2 molecules. In this paper, we focus on the collisional excitation of the first observed molecular anion, C6H-, by He and H2. Theoretical calculations of collisional cross sections rely generally on ab initio interaction potential energy surfaces (PESs). Hence, we present here the first PESs for the C6H--H2 and C6H--He van der Waals systems. The ab initio energy data for the surfaces were computed at the explicitly correlated coupled cluster with single, double, and scaled perturbative triple excitations level of theory. The method of interpolating moving least squares was used to construct 4D and 2D analytical PESs from these data. Both surfaces are characterized by deep wells and large anisotropies. Analytical models of the PESs were used in scattering calculations to obtain cross sections for low-lying rotational transitions. As could have been anticipated, important differences exist between the He and H2 cross sections. Conversely, no significant differences exist between the collisions of C6H- with the two species of H2 (para- and ortho-H2). We expect that these new data will help in accurately determining the abundance of the C6H- anions in space
Quantum Calculation of Inelastic CO Collisions with H. II. Pure Rotational Quenching of High Rotational Levels
Carbon monoxide is a simple molecule present in many astrophysical
environments, and collisional excitation rate coefficients due to the dominant
collision partners are necessary to accurately predict spectral line
intensities and extract astrophysical parameters. We report new quantum
scattering calculations for rotational deexcitation transitions of CO induced
by H using the three-dimensional potential energy surface~(PES) of Song et al.
(2015). State-to-state cross sections for collision energies from 10 to
15,000~cm and rate coefficients for temperatures ranging from 1 to
3000~K are obtained for CO(, ) deexcitation from to all lower
levels, where is the rotational quantum number. Close-coupling and
coupled-states calculations were performed in full-dimension for =1-5, 10,
15, 20, 25, 30, 35, 40, and 45 while scaling approaches were used to estimate
rate coefficients for all other intermediate rotational states. The current
rate coefficients are compared with previous scattering results using earlier
PESs. Astrophysical applications of the current results are briefly discussed.Comment: 8 figures, 1 tabl
Rubidium in the Interstellar Medium
We present observations of interstellar rubidium toward o Per, zeta Per, AE
Aur, HD 147889, chi Oph, zeta Oph, and 20 Aql. Theory suggests that stable 85Rb
and long-lived 87Rb are produced predominantly by high-mass stars, through a
combination of the weak s- and r-processes. The 85Rb/87Rb ratio was determined
from measurements of the Rb I line at 7800 angstroms and was compared to the
solar system meteoritic ratio of 2.59. Within 1-sigma uncertainties all
directions except HD 147889 have Rb isotope ratios consistent with the solar
system value. The ratio toward HD 147889 is much lower than the meteoritic
value and similar to that toward rho Oph A (Federman et al. 2004); both lines
of sight probe the Rho Ophiuchus Molecular Cloud. The earlier result was
attributed to a deficit of r-processed 85Rb. Our larger sample suggests instead
that 87Rb is enhanced in these two lines of sight. When the total elemental
abundance of Rb is compared to the K elemental abundance, the interstellar Rb/K
ratio is significantly lower than the meteoritic ratio for all the sight lines
in this study. Available interstellar samples for other s- and r- process
elements are used to help interpret these results.Comment: 24 pages, 3 figures. Accepted for publication in Ap
Confirming TDP2 mutation in spinocerebellar ataxia autosomal recessive 23 (SCAR23)
Objective
To address the relationship between mutations in the DNA strand break repair protein tyrosyl DNA phosphodiesterase 2 (TDP2) and spinocerebellar ataxia autosomal recessive 23
(SCAR23) and to characterize the cellular phenotype of primary fibroblasts from this disease.
Methods
We have used exome sequencing, Sanger sequencing, gene editing and cell biology, biochemistry,and subcellular mitochondrial analyses for this study.
Results
We have identified a patient in the United States with SCAR23 harboring the same homozygous TDP2 mutation as previously reported in 3 Irish siblings (c.425+1G>A). The current and Irish patients share the same disease haplotype, but the current patient lacks a homozygous
variant present in the Irish siblings in the closely linked gene ZNF193, eliminating this as a contributor to the disease. The current patient also displays symptoms consistent with mitochondrial dysfunction, although levels of mitochondrial function in patient primary skin fibroblasts are normal. However, we demonstrate an inability in patient primary fibroblasts to rapidly repair topoisomerase-induced DNA double-strand breaks (DSBs) in the nucleus and profound hypersensitivity to this type of DNA damage.
Conclusions
These data confirm the TDP2 mutation as causative for SCAR23 and highlight the link between defects in nuclear DNA DSB repair, developmental delay, epilepsy, and ataxia
A high-throughput HPLC method for simultaneous 1 quantification of pyrethroid and 2 pyriproxyfen in long-lasting insecticide-treated nets
Long-lasting insecticide-treated nets (LLINs) play a crucial role in preventing malaria transmission. LLINs should remain effective for at least three years, even after repeated washings. Currently, monitoring insecticides in LLINs is cumbersome, costly, and requires specialized equipment and hazardous solvents. Our aim was to develop a simple, high-throughput and low-resource method for measuring insecticides in LLINs. To extract insecticides, polyethylene-LLIN samples were heated at 85 °C for 45 min in a non-hazardous solvent mix containing dicyclohexylphthalate as an internal standard. The extraction solvent was reduced from 50 to 5 ml using a 0.2 g sample, 90% smaller than the recommended sample size. By optimizing HPLC chromatography, we simultaneously detected pyrethroid and pyriproxyfen insecticides with high sensitivity in LLIN's extract. The method can quantify levels ≥ 0.0015% permethrin, 0.00045% alpha-cypermethrin and 0.00025% pyriproxyfen (w/w) in polyethylene, allowing for insecticide tracking before and after the use of LLINs. This method can be used to assess LLINs with 1% pyriproxyfen (pyriproxyfen-LLIN) or 2% permethrin (Olyset® Net), 1% pyriproxyfen and 2% permethrin (Olyset® Duo), or 0.55% pyriproxyfen and 0.55% alpha-cypermethrin (Royal Gaurd®). One can run 120 samples (40 nets) simultaneously with high precision and accuracy, improving throughput and reducing labour, costs, and environmental impact
Evidence for Color Dichotomy in the Primordial Neptunian Trojan Population
In the current model of early Solar System evolution, the stable members of
the Jovian and Neptunian Trojan populations were captured into resonance from
the leftover reservoir of planetesimals during the outward migration of the
giant planets. As a result, both Jovian and Neptunian Trojans share a common
origin with the primordial disk population, whose other surviving members
constitute today's trans-Neptunian object (TNO) populations. The cold classical
TNOs are ultra-red, while the dynamically excited "hot" population of TNOs
contains a mixture of ultra-red and blue objects. In contrast, Jovian and
Neptunian Trojans are observed to be blue. While the absence of ultra-red
Jovian Trojans can be readily explained by the sublimation of volatile material
from their surfaces due to the high flux of solar radiation at 5AU, the lack of
ultra-red Neptunian Trojans presents both a puzzle and a challenge to formation
models. In this work we report the discovery by the Dark Energy Survey (DES) of
two new dynamically stable L4 Neptunian Trojans,2013 VX30 and 2014 UU240, both
with inclinations i >30 degrees, making them the highest-inclination known
stable Neptunian Trojans. We have measured the colors of these and three other
dynamically stable Neptunian Trojans previously observed by DES, and find that
2013 VX30 is ultra-red, the first such Neptunian Trojan in its class. As such,
2013 VX30 may be a "missing link" between the Trojan and TNO populations. Using
a simulation of the DES TNO detection efficiency, we find that there are 162
+/- 73 Trojans with Hr < 10 at the L4 Lagrange point of Neptune. Moreover, the
blue-to-red Neptunian Trojan population ratio should be higher than 17:1. Based
on this result, we discuss the possible origin of the ultra-red Neptunian
Trojan population and its implications for the formation history of Neptunian
Trojans
A high-throughput HPLC method for simultaneous quantification of pyrethroid and pyriproxyfen in long-lasting insecticide-treated nets
Long-lasting insecticide-treated nets (LLINs) play a crucial role in preventing malaria transmission. LLINs should remain effective for at least three years, even after repeated washings. Currently, monitoring insecticides in LLINs is cumbersome, costly, and requires specialized equipment and hazardous solvents. Our aim was to develop a simple, high-throughput and low-resource method for measuring insecticides in LLINs. To extract insecticides, polyethylene-LLIN samples were heated at 85 °C for 45 min in a non-hazardous solvent mix containing dicyclohexylphthalate as an internal standard. The extraction solvent was reduced from 50 to 5 ml using a 0.2 g sample, 90% smaller than the recommended sample size. By optimizing HPLC chromatography, we simultaneously detected pyrethroid and pyriproxyfen insecticides with high sensitivity in LLIN's extract. The method can quantify levels ≥ 0.0015% permethrin, 0.00045% alpha-cypermethrin and 0.00025% pyriproxyfen (w/w) in polyethylene, allowing for insecticide tracking before and after the use of LLINs. This method can be used to assess LLINs with 1% pyriproxyfen (pyriproxyfen-LLIN) or 2% permethrin (Olyset® Net), 1% pyriproxyfen and 2% permethrin (Olyset® Duo), or 0.55% pyriproxyfen and 0.55% alpha-cypermethrin (Royal Gaurd®). One can run 120 samples (40 nets) simultaneously with high precision and accuracy, improving throughput and reducing labour, costs, and environmental impact
- …