Excited-state Forces within a First-principles Green's Function Formalism

We present a new first-principles formalism for calculating forces for optically excited electronic states using the interacting Green's function approach with the GW-Bethe Salpeter Equation method. This advance allows for efficient computation of gradients of the excited-state Born-Oppenheimer energy, allowing for the study of relaxation, molecular dynamics, and photoluminescence of excited states. The approach is tested on photoexcited carbon dioxide and ammonia molecules, and the calculations accurately describe the excitation energies and photoinduced structural deformations.Comment: 2 figures and 2 table

Mercury's Internal Structure

We describe the current state of knowledge about Mercury's interior structure. We review the available observational constraints, including mass, size, density, gravity field, spin state, composition, and tidal response. These data enable the construction of models that represent the distribution of mass inside Mercury. In particular, we infer radial profiles of the pressure, density, and gravity in the core, mantle, and crust. We also examine Mercury's rotational dynamics and the influence of an inner core on the spin state and the determination of the moment of inertia. Finally, we discuss the wide-ranging implications of Mercury's internal structure on its thermal evolution, surface geology, capture in a unique spin-orbit resonance, and magnetic field generation.Comment: 36 pages, 11 figures, in press, to appear in "Mercury - The View after MESSENGER", S. C. Solomon, B. J. Anderson, L. R. Nittler (editors), Cambridge University Pres

Relationships Between Implicit Power Motivation, Implicit Sexual Motivation, and Gonadal Steriod Hormones: Behavioral, Endocrine, and fMRI Investigations in Humans.

The present research explored relationships between individual differences in motivational states (basal testosterone levels (study 1), implicit power motivation (study 2), implicit sexual motivation (study 3)) and both biology and behavior (brain responses to dominance signals (study 1), steroid hormone levels (study 2), and operant conditioning (study 3). Testosterone is positively linked to dominance behavior in men. However, little is known about the moderating effects of testosterone in the human brain in the context of dominance. Study 1 used fMRI to measure amygdala BOLD response to interpersonal dominance signals of threat (anger faces) as a function of endogenous testosterone levels in 24 participants (10 men). Men’s, but not women’s, amygdala BOLD response to anger faces was negatively correlated with their endogenous testosterone levels. Study 2 investigated basal and dynamic relationships between implicit power motivation (n Power) and both salivary estradiol and testosterone in women. During a laboratory dominance contest, participants competed in pairs on a cognitive task and contest outcome (win vs. loss) was experimentally varied. Estradiol and testosterone levels were determined in saliva samples collected at baseline and several times post-contest, including one day post-contest. n Power was positively associated with basal estradiol concentrations. Women’s estradiol responses to a dominance contest were influenced by the interaction of n Power and contest outcome: Estradiol increased in power-motivated winners but decreased in power-motivated losers. Lastly, n Power and estradiol did not correlate with self-reported dominance and correlated negatively with self-reported aggression. Self-reported dominance and aggression did not predict estradiol changes as a function of contest outcome. Overall, n Power did not predict basal testosterone levels or testosterone changes as a function of dominance contest outcome. In study 3, using a newly-created method, implicit sexual motivation themes were coded in participants’ creative stories. To assess the predictive validity of coding implicit sexual motivation in creative stories, an operant conditioning paradigm was employed, which assessed the rewarding properties of visual sexual stimuli. Implicit sexual motivation was positively associated with implicit learning to achieve visual sexual reward, and this effect was particularly strong in men.Ph.D.PsychologyUniversity of Michigan, Horace H. Rackham School of Graduate Studieshttp://deepblue.lib.umich.edu/bitstream/2027.42/61654/1/stantons_1.pd

Manganese Oxide Thin Films Prepared by Nonaqueous Sol-Gel Processing: Preferential Formation of Birnessite

High quality manganese oxide thin films with smooth surfaces and even thicknesses have been prepared with a nonaqueous sol–gel process involving reduction of tetraethylammonium permanganate in methanol. Spin-coated films have been cast onto soft glass, quartz, and Ni foil substrates, with two coats being applied for optimum crystallization. The addition of alkali metal cations as dopants results in exclusive formation of the layered birnessite phase. By contrast, analogous reactions in bulk sol–gel reactions yield birnessite, tunneled, and spinel phases depending on the dopant cation. XRD patterns confirm the formation of well-crystallized birnessite. SEM images of Li-, Na-, and K–birnessite reveal extremely smooth films having uniform thickness of less than 0.5 μm. Thin films of Rb– and Cs–birnessite have more fractured and uneven surfaces as a result of some precipitation during the sol–gel transformation. All films consist of densely packed particles of about 0.1 μm. When tetrabutylammonium permanganate is used instead of tetraethylammonium permanganate, the sol–gel reaction yields amorphous manganese oxide as the result of diluted Mn sites in the xerogel film. Bilayer films have been prepared by casting an overcoat of K–birnessite onto an Na–birnessite film. However, Auger depth profiling indicates considerable mixing between the adjacent layers

Loss of Sustained Activity in the Ventromedial Prefrontal Cortex in Response to Repeated Stress in Individuals with Early-Life Emotional Abuse: Implications for Depression Vulnerability

Repeated psychosocial stress in early-life has significant impact on both behavior and neural function which, together, increase vulnerability to depression. However, neural mechanisms related to repeated stress remain unclear. We hypothesize that early-life stress may result in a reduced capacity for cognitive control in response to a repeated stressor, particularly in individuals who developed maladaptive emotional processing strategies, namely trait rumination. Individuals who encountered early-life stress but have adaptive emotional processing, namely trait mindfulness, may demonstrate an opposite pattern. Using a mental arithmetic task to induce mild stress and a mindful breathing task to induce a mindful state, we tested this hypothesis by examining blood perfusion changes over time in healthy young men. We found that subjects with early-life stress, particularly emotional abuse, failed to sustain neural activation in the orbitofrontal and ventromedial prefrontal cortex (vmPFC) over time. Given that the vmPFC is known to regulate amygdala activity during emotional processing, we subsequently compared the perfusion in the vmPFC and the amygdala in depression-vulnerable (having early-life stress and high in rumination) and resilient (having early-life stress and high in mindfulness) subjects. We found that depression-vulnerable subjects had increased amygdala perfusion and reduced vmPFC perfusion during the later runs than that during the earlier stressful task runs. In contrast, depression-resilient individuals showed the reverse pattern. Our results indicate that the vmPFC of depression-vulnerable subjects may have a limited capacity to inhibit amygdala activation to repeated stress over time, whereas the vmPFC in resilient individuals may adapt to stress quickly. This pilot study warrants future investigation to clarify the stress-related neural activity pattern dynamically to identify depression vulnerability at an individual level

Loss of Sustained Activity in the Ventromedial Prefrontal Cortex in Response to Repeated Stress in Individuals with Early-Life Emotional Abuse: Implications for Depression Vulnerability

Repeated psychosocial stress in early-life has significant impact on both behavior and neural function which, together, increase vulnerability to depression. However, neural mechanisms related to repeated stress remain unclear. We hypothesize that early-life stress may result in a reduced capacity for cognitive control in response to a repeated stressor, particularly in individuals who developed maladaptive emotional processing strategies, namely trait rumination. Individuals who encountered early-life stress but have adaptive emotional processing, namely trait mindfulness, may demonstrate an opposite pattern. Using a mental arithmetic task to induce mild stress and a mindful breathing task to induce a mindful state, we tested this hypothesis by examining blood perfusion changes over time in healthy young men. We found that subjects with early-life stress, particularly emotional abuse, failed to sustain neural activation in the orbitofrontal and ventromedial prefrontal cortex (vmPFC) over time. Given that the vmPFC is known to regulate amygdala activity during emotional processing, we subsequently compared the perfusion in the vmPFC and the amygdala in depression-vulnerable (having early-life stress and high in rumination) and resilient (having early-life stress and high in mindfulness) subjects. We found that depression-vulnerable subjects had increased amygdala perfusion and reduced vmPFC perfusion during the later runs than that during the earlier stressful task runs. In contrast, depression-resilient individuals showed the reverse pattern. Our results indicate that the vmPFC of depression-vulnerable subjects may have a limited capacity to inhibit amygdala activation to repeated stress over time, whereas the vmPFC in resilient individuals may adapt to stress quickly. This pilot study warrants future investigation to clarify the stress-related neural activity pattern dynamically to identify depression vulnerability at an individual level

The physiology of women’s power motive: implicit power motivation is positively associated with estradiol levels

a b s t r a c t This study examined the relationship between implicit power motivation (n Power) and salivary estradiol in women. Forty participants completed the Picture Story Exercise, a measure of n Power, and salivary estradiol levels from two saliva samples were determined with radioimmunoassay. We found that n Power was positively associated with estradiol levels. The positive correlation between n Power and estradiol was stronger in single women and women not taking oral contraceptives than in the overall sample of women. These findings replicate those of Stanton and Schultheis

Psychological and neural mechanisms of trait mindfulness in reducing depression vulnerability

Mindfulness-based interventions are effective for reducing depressive symptoms. However, the psychological and neural mechanisms are unclear. This study examined which facets of trait mindfulness offer protection against negative bias and rumination, which are key risk factors for depression. Nineteen male volunteers completed a 2-day functional magnetic resonance imaging study. One day utilized a stress-induction task and the other day utilized a mindful breathing task. An emotional inhibition task was used to measure neural and behavioral changes related to state negative bias, defined by poorer performance in inhibiting negative relative to neutral stimuli. Associations among trait mindfulness [measured by the Five Facet Mindfulness Questionnaire (FFMQ)], trait rumination, and negative bias were examined. Non-reactivity scores on the FFMQ correlated negatively with rumination and negative bias following the stress induction. Non-reactivity was inversely correlated with insula activation during inhibition to negative stimuli after the mindful breathing task. Our results suggest non-reactivity to inner experience is the key facet of mindfulness that protects individuals from psychological risk for depression. Based on these results, mindfulness could reduce vulnerability to depression in at least two ways: (i) by buffering against trait rumination and negative bias and (ii) by reducing automatic emotional responding via the insula

Mercury's Internal Structure

We describe the current state of knowledge about Mercury's interior structure. We review the available observationalconstraints, including mass, size, density, gravity eld, spin state, composition, and tidal response. These data enablethe construction of models that represent the distribution of mass inside Mercury. In particular, we infer radial prolesof the pressure, density, and gravity in the core, mantle, and crust. We also examine Mercury's rotational dynamicsand the inuence of an inner core on the spin state and the determination of the moment of inertia. Finally, we discussthe wide-ranging implications of Mercury's internal structure on its thermal evolution, surface geology, capture in aunique spin-orbit resonance, and magnetic eld generation