Searching for stable fullerenes in space with computational chemistry

We report a computational study of the stability and infrared (IR) vibrational spectra of neutral and singly ionised fullerene cages containing between 44 and 70 carbon atoms. The stability is characterised in terms of the standard enthalpy of formation per CC bond, the HOMO-LUMO gap, and the energy required to eliminate a C$_2$ fragment. We compare the simulated IR spectra of these fullerene species to the observed emission spectra of several planetary nebulae (Tc 1, SMP SMC 16, and SMP LMC 56) where strong C$_{60}$ emission has been detected. Although we could not conclusively identify fullerenes other than C$_{60}$ and C$_{70}$, our results point to the possible presence of smaller (44, 50, and 56-atom) cages in those astronomical objects. Observational confirmation of our prediction should become possible when the James Webb Space Telescope comes online.Comment: 11 pages, 13 figures, 1 table. Accepted for publication on MNRA

The EDIBLES Survey. VII. A survey of C2 and C3 in interstellar clouds

We carried out a sensitive survey of C$_2$ and C$_3$ using the EDIBLES data set. We also expanded our searches to C$_4$, C$_5$, and $^{13}$C$^{12}$C isotopologue in the most molecule-rich sightlines. We fit synthetic spectra generated following a physical excitation model to the C$_2$ (2-0) Phillips band to obtain the C$_2$ column density ($N$) as well as the kinetic temperature ($T_\textrm{kin}$) and number density ($n$) of the host cloud. The C$_3$ molecule was measured through its $\tilde{A} - \tilde{X}$ (000-000) electronic origin band system. We simulated the excitation of this band with a double-temperature Boltzmann distribution. We present the largest combined survey of C$_2$ and C$_3$ to date in which the individual transitions can be resolved. In total we detected C$_2$ in 51 velocity components along 40 sightlines, and C$_3$ in 31 velocity components along 27 sightlines. The two molecules are detected in the same velocity components. We find a very good correlation between $N$(C$_2$) and $N$(C$_3$) with Pearson $r = 0.93$ and an average $N$(C$_2$)/$N$(C$_3$) ratio of 15.5$\pm$1.4. A comparison with the behaviour of the C$_2$ DIBs shows that there are no clear differences among sightlines with and without detection of C$_2$ and C$_3$. This is in direct contrast to the better-studied non-C$_2$ DIBs who have reduced strengths in molecule-rich environments. We also identify for the first time the $Q$(2), $Q$(3), and $Q$(4) transitions of the $^{13}$C$^{12}$C (2-0) Phillips band in a stacked average spectrum, and estimate the isotopic ratio of carbon $^{12}$C/$^{13}$C as 79$\pm$8. Our search for the C$_4$ and C$_5$ optical bands was unsuccessful.Comment: 31 pages, 23 figures. To appear in A&

Stitching together Multiple Data Dimensions Reveals Interacting Metabolomic and Transcriptomic Networks That Modulate Cell Regulation

DNA variation can be used as a systematic source of perturbation in segregating populations as a way to infer regulatory networks via the integration of large-scale, high-dimensional molecular profiling data

Integrated analysis of environmental and genetic influences on cord blood DNA methylation in new-borns

Epigenetic processes, including DNA methylation (DNAm), are among the mechanisms allowing integration of genetic and environmental factors to shape cellular function. While many studies have investigated either environmental or genetic contributions to DNAm, few have assessed their integrated effects. Here we examine the relative contributions of prenatal environmental factors and genotype on DNA methylation in neonatal blood at variably methylated regions (VMRs) in 4 independent cohorts (overall n = 2365). We use Akaike's information criterion to test which factors best explain variability of methylation in the cohort-specific VMRs: several prenatal environmental factors (E), genotypes in cis (G), or their additive (G + E) or interaction (GxE) effects. Genetic and environmental factors in combination best explain DNAm at the majority of VMRs. The CpGs best explained by either G, G + E or GxE are functionally distinct. The enrichment of genetic variants from GxE models in GWAS for complex disorders supports their importance for disease risk.Peer reviewe

Facilitators’ Report: A Restorative Review of the In-Custody Death of Jason LeBlanc

This report has been prepared by the process facilitation team made up of: Jennifer Llewellyn, Jake MacIsaac, Heather McNeil. The central parties to the process have reviewed the report for accuracy. The parties committed at the outset of the process to share the facts of what happened in this case and the justice process they undertook together to learn from what happened and to ensure that these lessons contribute to improving the lives of individuals and families in Nova Scotia. As such, this report does not make findings of fact or recommendations. It describes the situation, the parties involved, the restorative process in which they engaged, and the insights and outcomes that resulted. Background Jason “Libby” LeBlanc was the son of Ernie and Eileen LeBlanc of Sydney Mines, Cape Breton. At the time of his death, on the morning of January 31, 2016, Jason was 42 years old and was housed at the Cape Breton Correctional Facility (CBCF) on a parole violation. He was admitted to the institution less than 14 hours earlier. Correctional officers found Jason unresponsive during an overnight check. Despite their attempts to resuscitate him, he was pronounced dead by Emergency Health Services personnel at 2:45am. It was later determined that Jason died from a drug overdose, having consumed contraband that was not found on his person during the admission process. Cape Breton Regional Police, the Department of Justice Correctional Services Division, the Nova Scotia Medical Examiner, and the Nova Scotia Health Authority (NSHA) each conducted investigations into what happened within their respective scopes of practice. Police determined upon review of the evidence they collected that it was not a criminal matte

Facilitators’ Report: A Restorative Review of the In-Custody Death of Jason LeBlanc

This report has been prepared by the process facilitation team made up of: Jennifer Llewellyn, Jake MacIsaac, Heather McNeil. The central parties to the process have reviewed the report for accuracy. The parties committed at the outset of the process to share the facts of what happened in this case and the justice process they undertook together to learn from what happened and to ensure that these lessons contribute to improving the lives of individuals and families in Nova Scotia. As such, this report does not make findings of fact or recommendations. It describes the situation, the parties involved, the restorative process in which they engaged, and the insights and outcomes that resulted. Background Jason “Libby” LeBlanc was the son of Ernie and Eileen LeBlanc of Sydney Mines, Cape Breton. At the time of his death, on the morning of January 31, 2016, Jason was 42 years old and was housed at the Cape Breton Correctional Facility (CBCF) on a parole violation. He was admitted to the institution less than 14 hours earlier. Correctional officers found Jason unresponsive during an overnight check. Despite their attempts to resuscitate him, he was pronounced dead by Emergency Health Services personnel at 2:45am. It was later determined that Jason died from a drug overdose, having consumed contraband that was not found on his person during the admission process. Cape Breton Regional Police, the Department of Justice Correctional Services Division, the Nova Scotia Medical Examiner, and the Nova Scotia Health Authority (NSHA) each conducted investigations into what happened within their respective scopes of practice. Police determined upon review of the evidence they collected that it was not a criminal matte

The relationship between self-reported substance use and psychiatric symptoms in low-threshold methadone maintenance treatment clients

Abstract Background Ongoing psychiatric symptoms and substance use are common difficulties experienced by clients enrolled in methadone maintenance treatment (MMT). However, little research to date has evaluated if specific types of current substance use are related to specific types of current psychiatric symptoms. The present study investigated these relationships with a sample of clients enrolled in a low-threshold MMT program (i.e., clients are not expelled if they continue to use substances). Some clients enrolled in low-threshold programs may never achieve complete abstinence from all substances. Thus, understanding the possibly perpetuating relationships between concurrent substance use and psychiatric symptoms is important. Understanding such relationships may aid in developing possible target areas of treatment to reduce substance use and/or related harms in this population. Methods Seventy-seven individuals were interviewed regarding methadone usage and current and past substance use. Current psychiatric symptoms were assessed using a modified version of the Psychiatric Diagnostic Screening Questionnaire (PDSQ). Relationships between types of substances used in the past 30 days and the types and number of psychiatric symptoms experienced in the same timeframe were examined. Results The majority of participants (87.0%) reported using alcohol, illicit substances, non-prescribed prescription opioids, or non-prescribed benzodiazepines in the past 30 days and 77.9% of participants reported currently experiencing psychiatric symptoms at levels that would likely warrant diagnosis. Current non-prescribed benzodiazepine use was a predictor for increased severity (i.e., symptom count) of almost all anxiety and mood disorders assessed. Conversely, number and presence of generalized anxiety symptoms and presence of social phobia symptoms predicted current non-prescribed benzodiazepine and alcohol use, respectively. Conclusions Individuals enrolled in the present low-threshold MMT program experience a wide variety of psychiatric symptoms and continue to use a variety of substances, including opioids. There was a particularly consistent pattern of associations between non-prescribed benzodiazepine use and a variety of psychiatric symptoms (particularly anxiety) suggesting that addressing concurrent illicit benzodiazepine use and anxiety symptoms in MMT clients warrants further clinical attention and research.</p

IUPUI Community for Open Research and Education

Comprised of faculty, graduate students, researchers, and librarians at Indiana University–Purdue University Indianapolis (IUPUI), the IUPUI Community for Open Research and Education (CORE) is interested in fostering a campus culture that promotes transparency and openness in research and educational resources by building partnerships and advocating for education, training, resource development, and advocacy

Genetic susceptibility to asthma increases the vulnerability to indoor air pollution

INTRODUCTION: Indoor air pollution and maternal smoking during pregnancy are associated with respiratory symptoms in infants, but little is known about the direct association with lung function or interactions with genetic risk factors. We examined associations of exposure to indoor particulate matter with a 50% cut-off aerodynamic diameter of 10 µm (PM10) and maternal smoking with infant lung function and the role of gene-environment interactions. METHODS: Data from the Drakenstein Child Health Study, a South African birth cohort, were analysed (n=270). Lung function was measured at 6 weeks and 1 year of age, and lower respiratory tract infection episodes were documented. We measured pre- and postnatal PM10 exposures using devices placed in homes, and prenatal tobacco smoke exposure using maternal urine cotinine levels. Genetic risk scores determined from associations with childhood-onset asthma in the UK Biobank were used to investigate effect modifications. RESULTS: Pre- and postnatal exposure to PM10 as well as maternal smoking during pregnancy were associated with reduced lung function at 6 weeks and 1 year as well as with lower respiratory tract infection in the first year. Due to a significant interaction between the genetic risk score and prenatal exposure to PM10, infants carrying more asthma-related risk alleles were more susceptible to PM10-associated reduced lung function (pinteraction=0.007). This interaction was stronger in infants with Black African ancestry (pinteraction=0.001) and nonexistent in children with mixed ancestry (pinteraction=0.876). CONCLUSIONS: PM10 and maternal smoking exposures were associated with reduced lung function, with a higher susceptibility for infants with an adverse genetic predisposition for asthma that also depended on the infant's ancestry