Computing Accurate & Reliable Rovibrational Spectral Data for Aluminum-Bearing Molecules.

The difficulty of quantum chemically computing vibrational, rotational, and rovibrational reference data via quartic force fields (QFFs) for molecules containing aluminum appears to be alleviated herein using a hybrid approach based upon CCSD(T)-F12b/cc-pCVTZ further corrected for conventional CCSD(T) scalar relativity within the harmonic terms and simple CCSD(T)-F12b/cc-pVTZ for the cubic and quartic terms: the F12-TcCR+TZ QFF. Aluminum containing molecules are theorized to participate in significant chemical processes in both the Earth's upper atmosphere as well as within circumstellar and interstellar media. However, experimental data for the identification of these molecules are limited, showcasing the potential for quantum chemistry to contribute significant amounts of spectral reference data.

Rovibrational analysis of AlCO3, OAlO2, and HOAlO2 for possible atmospheric detection.

The lack of observational data for the AlO molecule in the mesosphere/lower thermosphere may be due to ablated aluminum reacting quickly to form other species. Previously proposed reaction pathways show that aluminum could be ablated in the atmosphere from meteoritic activity, but there currently exist very limited spectroscopic data on the intermediates in these reactions, limiting the possible detection of said molecules. As such, rovibrational spectroscopic data are computed herein using quartic force field methodology at four different levels of theory for the neutral intermediates AlCO3, OAlO2, and HOAlO2.

Spectroscopy and Photochemistry of OAlNO and Implications for New Metal Chemistry in the Atmosphere.

A new aluminum-bearing species, OAlNO, which has the potential to impact the chemistry of the Earth's upper atmosphere, is characterized via high-level, , spectroscopic methods. Meteor-ablated aluminum atoms are quickly oxidized to aluminum oxide (AlO) in the mesosphere and lower thermosphere (MLT), where a steady-state layer of AlO then builds up. Concurrent formation of nitric oxide (NO) in the same region of the atmosphere will lead to the bimolecular formation of the OAlNO molecule.

Predominant risk factors for tick-borne co-infections in hunting dogs from the USA.

Background: Both incidence and geographical range of tick-borne disease has increased across the USA. Similar to people, dogs are hosts for Anaplasma spp., Babesia spp.

Comorbid infections induce progression of visceral leishmaniasis.

Background: Visceral leishmaniasis (VL) is a vector borne zoonotic disease endemic in humans and dogs in Brazil. Due to the increased risk of human infection secondary to the presence of infected dogs, public health measures in Brazil mandate testing and culling of infected dogs. Despite this important relationship between human and canine infection, little is known about what makes the dog reservoir progress to clinical illness, significantly tied to infectiousness to sand flies.

Rovibrational Considerations for the Monomers and Dimers of Magnesium Hydride and Magnesium Fluoride.

Magnesium is an understudied chemical element that is quite useful in materials science and may be an essential astrochemical building block for grain formation in proto-planetary disks. This work provides quantum chemical prediction for the vibrational and rovibrational spectra of the structurally similar magnesium hydride and magnesium fluoride monomers and dimers. Magnesium fluoride is commonly utilized in infrared-observing windows and is a known terrestrial mineral, sellaite.

Being Thankful: Examining the Relationship Between Young Adult Religiosity and Gratitude.

Studies show that religious people tend to be more grateful, yet existing research tends to rely on small, non-representative samples and limited measures of religiosity. Therefore, we use a national sample (the National Study of Youth and Religion) and multiple measures of religiosity to examine the extent to which religion is associated with feelings of gratitude. We find that religious efficacy and having religious friends positively predict the extent to which young adults feel grateful.