Building Infrastructures for Community Engagement at the University of Louisville: Graduate Models for Cultivating Stewardship

From our perspectives at the University of Louisville, we address the need to provide structures for graduate student participation in community-engaged scholarship. Architectures of participation such as the ones we describe in this piece—the Community Engagement Academy and the Digital Media Academy—offer graduate students the opportunity to practice designing and implementing community engagement projects within interdisciplinary and disciplinary sites. The models we provide were designed to make the invisible work of community engagement visible and to create low barriers of entry for graduate students to become stewards of their disciplines as well as stewards of their communities. Such opportunities, we argue, help promote a more capacious view of stewardship, and thus encourage emerging engaged scholars to learn how to act responsibly and wisely in conducting communityengaged research

Animal abuse and intimate partner violence: researching the link and its significance in Ireland - a veterinary perspective

Research on domestic violence has established a substantial association between intimate partner abuse and the abuse of children within the home. It is only recently however, that researchers have demonstrated the correlation between non-accidental injury in animals, and abuse of women by their intimate male partners. A growing body of evidence suggests that animal abuse can be an early indicator for other forms of violent behaviour. This research includes the responses of a sample of 23 women using refuge services in the Republic of Ireland. It investigates the connection between domestic violence and animal abuse, and ascertains if there is sufficient support service for animals and people relevant to domestic abuse. In the survey population, 57% of women reported witnessing one or more forms of abuse, or threats of abuse, of their pets. Five of which were reported to have resulted in the death of the pet. Eighty seven per cent of women felt a facility to accommodate pets would have made their decision to leave the family home easier. Four women disclosed that lack of such a service and concern for the welfare of their companion animals caused them to remain in their abusive relationships for longer than they felt appropriate. Nine families placed pets in the care of family or friends, one woman is unaware of the fate of her pet, while the pets of six families remained with the abusive male after his partner entered a refuge. The majority of women felt unable to talk to anyone about their fears for their pets' welfare. Many felt that there is no service which can provide temporary accommodation for womens' pets while they are in refuge. The results obtained support those found elsewhere in larger studies in the USA and UK, and demonstrate an association of animal abuse in households where there is reported domestic violence

The Energy Computation Paradox and ab initio Protein Folding

The routine prediction of three-dimensional protein structure from sequence remains a challenge in computational biochemistry. It has been intuited that calculated energies from physics-based scoring functions are able to distinguish native from nonnative folds based on previous performance with small proteins and that conformational sampling is the fundamental bottleneck to successful folding. We demonstrate that as protein size increases, errors in the computed energies become a significant problem. We show, by using error probability density functions, that physics-based scores contain significant systematic and random errors relative to accurate reference energies. These errors propagate throughout an entire protein and distort its energy landscape to such an extent that modern scoring functions should have little chance of success in finding the free energy minima of large proteins. Nonetheless, by understanding errors in physics-based score functions, they can be reduced in a post-hoc manner, improving accuracy in energy computation and fold discrimination

S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures

With numerous new quantum chemistry methods being developed in recent years and the promise of even more new methods to be developed in the near future, it is clearly critical that highly accurate, well-balanced, reference data for many different atomic and molecular properties be available for the parametrization and validation of these methods. One area of research that is of particular importance in many areas of chemistry, biology, and material science is the study of noncovalent interactions. Because these interactions are often strongly influenced by correlation effects, it is necessary to use computationally expensive high-order wave function methods to describe them accurately. Here, we present a large new database of interaction energies calculated using an accurate CCSD(T)/CBS scheme. Data are presented for 66 molecular complexes, at their reference equilibrium geometries and at 8 points systematically exploring their dissociation curves; in total, the database contains 594 points: 66 at equilibrium geometries, and 528 in dissociation curves. The data set is designed to cover the most common types of noncovalent interactions in biomolecules, while keeping a balanced representation of dispersion and electrostatic contributions. The data set is therefore well suited for testing and development of methods applicable to bioorganic systems. In addition to the benchmark CCSD(T) results, we also provide decompositions of the interaction energies by means of DFT-SAPT calculations. The data set was used to test several correlated QM methods, including those parametrized specifically for noncovalent interactions. Among these, the SCS-MI-CCSD method outperforms all other tested methods, with a root-mean-square error of 0.08 kcal/mol for the S66 data set

Empty nest, cohort, and employment in the well-being of midlife women

Whether the empty-nest experience has positive or negative consequences for women's well-being at midlife may depend on their historical cohort membership and employment status. In this study, it was posited that the empty nest was likely to be a negative experience among the particular cohort of women (Cohort II) who reached adulthood during the period of strong societal emphasis on women's maternal role known as the feminine mystique, would be experienced positively among the earlier cohort (Cohort I) who as young adults were encouraged to enter the labor force during World War II. Analyses of covariance tested the relationships among empty-nest status, cohort membership, and employment status, and three measures of psychological well-being, adjusted for age, education, and marital status. The results of this study show that cohort and employment each have important independent associations with women's well-being at midlife, but that the experience of the empty nest depends on these two factors, especially cohort experiences.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/45589/1/11199_2004_Article_BF00287990.pd