Molecular and electronic structure, magnetotropicity and absorption spectra of benzene-trinuclear copper(I) and silver(I) trihalide columnar binary stacks.

The molecular and electronic structures, stabilities, bonding features, magnetotropicity and absorption spectra of benzene-trinuclear Cu(I) and Ag(I) trihalide columnar binary stacks with the general formula [c-M(3)(µ(2)-X)(3)](n)(C(6)H(6))(m) (M = Cu, Ag; X = halide; n, m ≤ 2) have been investigated by means of electronic structure calculation methods. The interaction of c-M(3)(µ(2)-X)(3) clusters with one and two benzene molecules yields 1:1 and 1:2 binary stacks, while benzene sandwiched 2:1 stacks are formed upon interaction of two c-M(3)(µ(2)-X)(3) clusters with one benzene molecule. In all binary stacks the plane of the alternating c-M(3)(µ(2)-X)(3) and benzene components adopts an almost parallel orientation. The separation distance between the centroids of the benzene and the proximal c-M(3)(µ(2)-X)(3) metallic cluster found in the range 2.97-3.33 Å at the B97D/Def2-TZVP level is indicative of a π···π stacking interaction mode, for the centroid separation distance is very close to the sum of the van der Waals radii of Cu···C (3.10 Å) and Ag···C (3.44 Å). Energy decomposition analysis (EDA) at the SSB-D/TZP level revealed that the dominant term in the c-M(3)(µ(2)-X)(3)···C(6)H(6) interaction arises from dispersion and electrostatic forces while the covalent interactions are predicted to be negligible. On the other hand, charge decomposition analysis (CDA) illustrated very small charge transfer from C(6)H(6) toward the c-M(3)(µ(2)-X)(3) clusters, thus reflecting weak π-base/π-acid interactions which are further corroborated by the respective electrostatic potentials and the fact that the total dipole moment vector points to the center of the metallic ring of the c-M(3)(µ(2)-X)(3) cluster. The absorption spectra of all aromatic columnar binary stacks simulated by means of TD-DFT calculations showed strong absorptions in the UV region. The main features of the simulated absorption spectra are thoroughly analyzed, and assignments of the contributing electronic transitions are given. The magnetotropicity of the binary stacks evaluated by the NICS(zz)-scan curves indicated an enhancement of the diatropicity of the inorganic ring upon interaction with the aromatic benzene molecule. Noteworthy is the slight enhancement of the diatropicity of the benzene ring, particularly in the region between the interacting rings, probably due to the superposition (coupling) of the diamagnetic ring currents of the interacting aromatic ring systems.

Thought-Shape Fusion in bulimia nervosa: an experimental investigation.

The aim of the present study was to experimentally investigate a cognitive distortion, 'Thought Shape Fusion' (TSF), in patients with bulimia nervosa (BN). TSF has been postulated as a specific distortion in patients with eating disorders and occurs when the thought about eating a forbidden food increases a person's estimate of her weight / shape, elicits a perception of moral wrongdoing and makes her feel fat. Previous psychometric measures of TSF in clinical and control groups, experiments eliciting TSF in a student sample and in patients with anorexia nervosa, all confirm a strong association between TSF and eating disorder psychopathology. Twenty patients diagnosed with BN participated in a within-participants experimental design with the aim of eliciting TSF and investigating further the possible effects of corrective behaviours (checking and mental neutralizing). Verbal analogue scales constituted the main outcome measures. TSF triggered a perception of moral wrongdoing, heightened levels of body dissatisfaction, elevated feelings of anxiety and guilt and prompted urges to engage in checking and mental neutralizing. Corrective behaviours significantly reduced the effects of the experimental procedure. Components of TSF are present in BN and are likely to play a mediating role in the maintenance of the disorder. The precise connection between TSF and BN remains to be explored in future clinical trials.

Medical, morphological and functional aspects of Greek football referees.

OBJECTIVE: The aim of the study was to investigate state of health, morphological and functional profile of football referees (Rs). EXPERIMENTAL DESIGN: A prevalence study. PARTICIPANTS: 188 Greek active male Rs of A, B, C and D football divisions have been evaluated. MEASURES: Standard clinical-instrumental and anthropometric methods were used. Appropriate functional tests were used for evaluation of visual performance, physical condition and mental ability. RESULTS: Mean age, height, weight, and BMI were 36.3 +/- 4.5 years, 177.4 +/- 5.7 cm, 81.6 +/- 7.8 kg, and 25.9 +/- 2.1 kg.m-2 respectively. 64% and 6% were overweight and obese respectively. In 27.2% resting blood pressure exceeded upper normal limits. Active (41.5%) and former smokers (17.0%) were identified. Visual acuity and colour discrimination were defective in 2.4% and 0.7% respectively. Stereo depth perception deficiently in 7.1%. Compared to international standards, Rs' mean scores in the 6 physical condition field tests were found satisfactory. All Rs were found efficient in the agility test, two-thirds in the maximal and prolonged speed tests and half of them in the endurance test. Relatively more Rs of A and B divisions were found fit as compared to Rs of C and D divisions. Average IQ score was 112.5 +/- 11.1, while about 90% and 34% of the Rs' IQ score was > or = 100 and > or = 120 respectively. CONCLUSIONS: Average male Greek football R is an apparently healthy, young to middle aged, rather overweight, and functionally efficient. The great majority of Rs of A and B divisions appear better trained and somewhat better functional than Rs of C and D divisions.

Stress adaptation in athletes: relation of lipoprotein levels to hormonal response.

Increased physical stress is produced in acute exercise conditions before and during a physical trial. The effects of the physical stress on lipid and lipoprotein parameters as well as on testosterone and cortisol levels were examined in male elite athletes. In a sample of 22 measured athletes, 11 showed increases and 11 showed decreases in testosterone levels. Subsequently these subjects were treated as two separate groups for statistical purposes in order to characterise the source of individual differences in response to a stressor. Group 1 showed a 16.1% significant increase in testosterone levels, 13.3% in total cholesterol and low density lipoproteins, and a 105% increase in testosterone/cortisol ratio immediately after an acute bout of physical stress of 30 s. Group 2 showed a -25.8% significant decline in testosterone levels and no significant change in either total cholesterol or lipoprotein concentrations, followed by a significant correlation of all lipid and hormonal parameters to psychophysiological factors, such as skin temperature. A measurement of testosterone/cortisol and total cholesterol and high density lipoprotein (HDL-C) levels after a bout of acute physical stress may give a picture of the ability to "respond quickly" to stress, which will be useful in assessing the performance of the elite athlete.