Free Radicals in Superfluid Liquid Helium Nanodroplets: A Pyrolysis Source for the Production of Propargyl Radical

An effusive pyrolysis source is described for generating a continuous beam of radicals under conditions appropriate for the helium droplet pick-up method. Rotationally resolved spectra are reported for the $\nu_1$ vibrational mode of the propargyl radical in helium droplets at 3322.15 cm$^{-1}$. Stark spectra are also recorded that allow for the first experimental determination of the permanent electric dipole moment of propargyl, namely -0.150 D and -0.148 D for ground and excited state, respectively, in good agreement with previously reported ab initio results of -0.14 D [1]. The infrared spectrum of the $\nu_1$ mode of propargyl-bromide is also reported. The future application of these methods for the production of novel radical clusters is discussed

Initial stages of GaN/GaAs(100) growth by metalorganic chemical vapor deposition

A study of GaN buffers grown by metalorganic chemical vapor deposition on (001) GaAs substrates was performed. Nucleation images obtained by atomic force microscopy (AFM) were employed to investigate the growth temperature, growth time, and growth rate dependence of the nucleation mechanisms. The growth mode corresponds to two‐dimensional (2D) island nucleation at low temperatures, while three‐dimensional (3D) island growth is observed at high temperatures. Large grain sizes and good surface coverage was obtained for 3 min growth. Higher growth rates help nucleation on mismatched substrate and promote the 2D growth mode. GaN films 0.5 μm thick were grown on different buffers using a two‐step technique as suggested by the AFM analysis and their morphology was found to improve when grown on optimized buffers. © 1996 American Institute of Physics.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/70328/2/JAPIAU-80-3-1823-1.pd

Unraveling the internal dynamics of the benzene dimer: a combined theoretical and microwave spectroscopy study

Contains fulltext : 111457.pdf (publisher's version ) (Open Access

Genetic Studies of Sulfadiazine-resistant and Methionine-requiring \u3cem\u3eNeisseria\u3c/em\u3e Isolated From Clinical Material

Deoxyribonucleate (DNA) preparations were extracted from Neisseria meningitidis (four isolates from spinal fluid and blood) and N. gonorrhoeae strains, all of which were resistant to sulfadiazine upon primary isolation. These DNA preparations, together with others from in vitro mutants of N. meningitidis and N. perflava, were examined in transformation tests by using as recipient a drug-susceptible strain of N. meningitidis (Ne 15 Sul-s Met+) which was able to grow in a methionine-free defined medium. The sulfadiazine resistance typical of each donor was introduced into the uniform constitution of this recipient. Production of p-aminobenzoic acid was not significantly altered thereby. Transformants elicited by DNA from the N. meningitidis clinical isolates were resistant to at least 200 μg of sulfadiazine/ml, and did not show a requirement for methionine (Sul-r Met+). DNA from six strains of N. gonorrhoeae, which were isolated during the period of therapeutic use of sulfonamides, conveyed lower degrees of resistance and, invariably, a concurrent methionine requirement (Sul-r/Met−). The requirement of these transformants, and that of in vitro mutants selected on sulfadiazine-agar, was satisfied by methionine, but not by vitamin B12, homocysteine, cystathionine, homoserine, or cysteine. Sul-r Met+ and Sul-r/Met− loci could coexist in the same genome, but were segregated during transformation. On the other hand, the dual Sul-r/Met− properties were not separated by recombination, but were eliminated together. DNA from various Sul-r/Met− clones tested against recipients having nonidentical Sul-r/Met− mutant sites yielded Sul-s Met+ transformants. The met locus involved is genetically complex, and will be a valuable tool for studies of genetic fine structure of members of Neisseria, and of genetic homology between species

The sero-epidemiology of Coxiella burnetii (Q fever) across livestock species and herding contexts in Laikipia County, Kenya

Coxiella burnetii, the causative agent of Query fever (Q fever), is among the most highly infectious zoonotic pathogens transmitted among livestock, with chronic effects challenging to veterinary and medical detection and care systems. Transmission among domestic livestock species can vary regionally due to herd management practices that determine which livestock species are raised, whether or not livestock are in contact with wildlife, and the susceptibility of these livestock to infection. To explore how different livestock management practices are associated with the risk of infection in multispecies environments, we carried out a comparative study of three types of herd management systems in the central Kenyan county of Laikipia: agro‐commercial, mixed conservancy/commercial, and smallholder ranches. We tested C. burnetii antibody seroprevalence in four common livestock species. Across all management types, the highest seroprevalence was in camels (20%), followed by goats (18%), sheep (13%), and cattle (6%). We observed a lower odds of testing seropositive for young compared to adult animals (adjusted OR = 0.44 [95% CI 0.24, 0.76]), and for males compared to females (adjusted OR = 0.52 [95% CI 0.33, 0.80]). Animals from mixed conservancy/commercial and smallholder operations had a higher odds of testing seropositive compared to animals from agro‐commercial ranches (adjusted OR = 5.17 [95% CI 2.71, 10.44] and adjusted OR = 2.21 [95% CI 1.17, 4.43] respectively). These data suggest that herd management practices might affect the transmission dynamics of C. burnetiiin arid African ecosystems like those seen in Kenya where several transmission modes are possible, risk of drought has promoted new livestock species such as camels, and multiple wildlife species may co‐occur with livestock on the landscape. Further longitudinal studies are needed to disentangle the mechanisms underlying these patterns, and further explore transmission patterns between wildlife, domestic animal, and human populations

Rational design of acid stable oxide catalysts for OER with OC22

The efficiency of $H_2$ production via water electrolysis is typically limited to the sluggish oxygen evolution reaction (OER). As such, significant emphasis has been placed upon improving the rate of OER through the anode catalyst. More recently, the Open Catalyst 2022 (OC22) has provided a large dataset of density functional theory (DFT) calculations for OER intermediates on the surfaces of oxides. When coupled with state-of-the-art graph neural network models, total energy predictions can be achieved with a mean absolute error as low as of 0.22 eV. In this work, we interpolated a database of the total energy predictions for all slabs and OER surface intermediates for 4,119 oxide materialas in the original OC22 dataset using pre-trained models from the OC22 framework. This database includes all terminations of all facets up to a maximum Miller index of 1 with adsorption configurations for $O^*$ and $OH^*$. To demonstrate the full utility of this database, we constructed a flexible screening framework to identify viable candidate anode catalysts under a bulk and nanoscale regime for OER by assessing the price, thermodynamic stability, and resistance to corrosion, surface stability, and overpotential. Finally we verified the overpotentials and reaction energies of the final candidate catalysts using DFT. From our assessment, we were able to identify 48 and 69 viable candidates for OER under the bulk and nanoscale regime respectively