Disgust trumps lust:women’s disgust and attraction towards men is unaffected by sexual arousal

Mating is a double-edged sword. It can have great adaptive benefits, but also high costs, depending on the mate. Disgust is an avoidance reaction that serves the function of discouraging costly mating decisions, for example if the risk of pathogen transmission is high. It should, however, be temporarily inhibited in order to enable potentially adaptive mating. We therefore tested the hypothesis that sexual arousal inhibits disgust if a partner is attractive, but not if he is unattractive or shows signs of disease. In an online experiment, women rated their disgust towards anticipated behaviors with men depicted on photographs. Participants did so in a sexually aroused state and in a control state. The faces varied in attractiveness and the presence of disease cues (blemishes). We found that disease cues and attractiveness, but not sexual arousal, influenced disgust. The results suggest that women feel disgust at sexual contact with unattractive or diseased men independently of their sexual arousal

Ab initio study of the diatomic fluorides FeF, CoF, NiF, and CuF

The late-3d transition-metal diatomic fluorides MF = FeF, CoF, NiF, and CuF have been studied using variational multireference (MRCI) and coupled-cluster [RCCSD(T)] methods, combined with large to very large basis sets. We examined a total of 35 2S+1|Λ| states, constructing as well 29 full potential energy curves through the MRCI method. All examined states are ionic, diabatically correlating to M+H-F-(1S). Notwithstanding the "eccentric" character of the 3d transition metals and the difficulties to accurately be described with all-electron ab initio methods, our results are, in general, in very good agreement with available experimental numbers. © 2008 American Chemical Society

First principles study of the diatomic charged fluorides MF ±, M=Sc, Ti, V, Cr, and Mn

Employing multireference configuration interaction and coupled-cluster methods in conjunction with quantitative basis sets, we have explored the electronic structure of the charged diatomic fluorides MF ±, where M=Sc, Ti, V, Cr, and Mn. In addition, and in order to complete our recently published work on the neutral diatomic fluorides MF, M=Ti-Mn [C. Koukounas, S. Kardahakis, and A. Mavridis, J. Chem. Phys. 120, 11500 (2004)], we have also examined the ground (X 1Σ +) and the first excited state (α 3Δ) of neutral ScF. For the entire anionic MF - series and the cations ScF +, VF +, and MnF +, no experimental or theoretical results of any kind have been reported so far in the literature. For the charged MF ± sequence we have investigated a total of 43=29(MF +)+14(MF -) states, reporting potential energy curves, energetics, and common spectroscopic parameters. Two are the most interesting conclusions of the present work. (a) The Coulombic binding character of MF + cations, i.e., the conformity of their equilibrium description to M 2+F - and (b) the atypical bonding of the MF - anions and their surprisingly high dissociation energies (up to 85 kcal/mol for the X 2Δ state of ScF -). Considering the complexities of these chemically "simple" systems, our results on ScF, TiF +, and CrF + are in very good agreement with the limited experimental findings.© 2005 American Institute of Physics

Interaction of the early 3d transition metals Sc, Ti, V, and Cr with N-2: An ab initio study

The interaction of the early 3d transition elements M=Sc, Ti, V, and Cr with N-2(X (1)Sigma(+)(g)) has been studied by coupled-cluster and multiconfigurational techniques in conjunction with quantitative basis sets. We investigated both triatomic (MN2) and tetratomic (M2N2) species but focused mainly on high-spin linear and T-shaped triatomics. The lowest bound states of ScN2(B-4(1)),TiN2((5)Delta), and VN2((6)Sigma(+)) correlate to the first excited state of the M atom, with M-N-2 binding energies (D-e) of 24, 14, and 8 kcal/mol, respectively. In CrN2, the first bound state (7)Pi correlates to the sixth excited state of the Cr atom (P-7) with D-e=27 kcal/mol. The M-N-2-M bond strength of high-spin linear tetratomics is twice as large the binding energy of the corresponding M-N-2 linear triatomics, M=Sc, Ti, V, and Cr. (c) 2006 American Institute of Physics

Ab initio investigation of the ground and low-lying states of the diatomic fluorides TiF, VF, CrF, and MnF

The investigations of the electronic structure of the diatomic fluorides TiF, VF, CrF, and MnF was carried out. Binding energies, spectroscopic constants, dipole moments, separation energies, and charge distributions for a total of 34 states was reported. The ground state binding energies of the fluorides of Ti, V, Cr, and Mn were estimated to be 135, 130, 110, and 108 kcal/mol, respectively. It was found that the in situ metal atom (M) shows highly ionic character, therefore the binding was described realistically by the ionic component M+F-

Interaction of dioxygen with Al clusters and Al(111): A comparative theoretical study

We have studied the interaction of an oxygen molecule with Al clusters and Al(111) using both wave-function-based quantum chemistry methods and density functional theory (DFT). These calculations were motivated by the fact that molecular beam experiments indicate that the adsorption of O2 on Al(111) should be activated whereas periodic DFT calculations yield purely attractive adsorption paths for almost all impact configurations of O 2 on Al(111). On small Al4 clusters, accurate wave-function-based quantum chemistry methods find a non-vanishing barrier in the O2 adsorption. The DFT calculations for slabs and larger Al clusters confirm the important role of spin effects for the O2 dissociation barrier on Al. The results indicate that exchange-correlation effects play a crucial role for the determination of the adsorption barrier in the O2/Al system but their determination is hampered by serious technical problems that are discussed in detail. © 2008 American Chemical Society

Temporomandibular disorders: Part II. A comparison of psychologic profiles in Australian and Finnish patients

Recent recommendations regard musculoskeletal disorders of the masticatory system as dual-axis disorders, but little comparative data of psychologic factors across different pain populations are available. In this study, presenting psychologic profiles were assessed in 40 Australian and 42 Finnish patients diagnosed with temporomandibular disorders. Findings were compared with those of a group of Australian patients reporting acute dental pain and with reference to response to conservative management. The psychologic testing instrument incorporated cognitive, motivational/ affective, and illness behavior variables, and it was based on validated general pain questionnaires (Coping Strategies Questionnaire and Illness Behavior Questionnaire). This instrument was found internally reliable in the majority of its subscales in the group studies and provided comparable data to other pain populations. Significant differences in the presenting psychologic profiles were found according to nationality, type of pain suffered, and treatment outcome. Affective disturbance, hypochondriasis, lack of cognitive control, and feeling ill with symptoms were identified in discriminant function analysis as potential predictors of treatment outcome, and they correctly classified 79% of the Australian and 87% of the Finnish patients with temporomandibular disorders. It was concluded that psychologic profiles differed in the two nationalities and were related to treatment outcome. The concept of multiaxial assessment was supported