CCSD(T), W1, and other model chemistry predictions for gas-phase deprotonation reactions

A series of CCSD(T) single-point calculations on MP4(SDQ) geometries and the W1 model chemistry method have been used to calculate ΔH° and ΔG° values for the deprotonation of 17 gas-phase reactions where the experimental values have reported accuracies within 1 kcal/mol. These values have been compared with previous calculations using the G3 and CBS model chemistries and two DFT methods. The most accurate CCSD(T) method uses the aug-cc-pVQZ basis set. Extrapolation of the aug-cc-pVTZ and aug-cc-pVQZ results yields the most accurate agreement with experiment, with a standard deviation of 0.58 kcal/mol for ΔG° and 0.70 kcal/mol for ΔH°. Standard deviations from experiment for ΔG° and ΔH° for the W1 method are 0.95 and 0.83 kcal/mol, respectively. The G3 and CBS-APNO results are competitive with W1 and are much less expensive. Any of the model chemistry methods or the CCSD(T)/aug-cc-pVQZ method can serve as a valuable check on the accuracy of experimental data reported in the National Institutes of Standards and Technology (NIST) database.

"Flirts and Other "Voluptuous Tyrants":Wollstonecraft, Rousseau and the Politics of Desire"

For the 18th and 19th centuries, flirtation was largely understood to be the symptom of a woman’s uncontrollable (and innate) sexual appetite. Any woman who questioned its cultural operations, such as Mary Wollstonecraft, was accused of being simultaneously sexually inappropriate in her interests, as well as prudish in her denial of feminine desire as a legitimate expression of a woman’s character. What this talk will argue, however, is that, for Wollstonecraft, the flirt is a fundamentally masculine figure who engages not in a struggle over desire, but rather in a struggle for power based on monarchical politics of the Ancien Regime.

Can Developing Women Create Primitive Art? and Other Questions of Value, Meaning and Identity in the Circulation of Janakpur Art

In this article, I examine the values and meanings that adhere to objects made by Maithil women at a development project in Janakpur, Nepal – objects collectors have called ‘Janakpur Art’. I seek to explain how and why changes in pictorial content in Janakpur Art – shifts that took place over a period of five or six years in the 1990s – occurred, and what such a change might indicate about the link between Maithil women’s lives, development, and tourism. As I will demonstrate, part of the appeal for consumers of Janakpur Art has been that it is produced at a ‘women’s development project’ seeking to empower its participants. And yet, the project’s very successes threaten to displace the producers (and what they produce) from their perceived qualities/identities as ‘traditional’ and ‘primitive,’ thereby bringing into question the authenticity of the ‘art’ they produce. The conundrum begs this question: can developing women produce primitive art?

White-Nose Syndrome-Affected Litttle Brown Myotis (Myotis Lucifugus) Increase Grooming and Other Active Behaviors During Arousals from Hibernation

White-nose syndrome (WNS) is an emerging infectious disease of hibernating bats linked to the death of an estimated 5.7 million or more bats in the northeastern United States and Canada. White-nose syndrome is caused by the cold-loving fungus Pseudogymnoascus destructans (Pd), which invades the skin of the muzzles, ears, and wings of hibernating bats. Previous work has shown that WNS-affected bats arouse to euthermic or near euthermic temperatures during hibernation significantly more frequently than normal and that these too-frequent arousals are tied to severity of infection and death date. We quantified the behavior of bats during these arousal bouts to understand better the causes and consequences of these arousals. We hypothesized that WNS-affected bats would display increased levels of activity (especially grooming) during their arousal bouts from hibernation compared to WNS-unaffected bats. Behavior of both affected and unaffected hibernating bats in captivity was monitored from December 2010 to March 2011 using temperature-sensitive dataloggers attached to the backs of bats and infrared motion-sensitive cameras. The WNS-affected bats exhibited significantly higher rates of grooming, relative to unaffected bats, at the expense of time that would otherwise be spent inactive. Increased self-grooming may be related to the presence of the fungus. Elevated activity levels in affected bats likely increase energetic stress, whereas the loss of rest (inactive periods when aroused from torpor) may jeopardize the ability of a bat to reestablish homeostasis in a number of physiologic systems.