Molecular dynamic simulation of a homogeneous bcc -> hcp transition

We have performed molecular dynamic simulations of a Martensitic bcc->hcp transformation in a homogeneous system. The system evolves into three Martensitic variants, sharing a common nearest neighbor vector along a bcc direction, plus an fcc region. Nucleation occurs locally, followed by subsequent growth. We monitor the time-dependent scattering S(q,t) during the transformation, and find anomalous, Brillouin zone-dependent scattering similar to that observed experimentally in a number of systems above the transformation temperature. This scattering is shown to be related to the elastic strain associated with the transformation, and is not directly related to the phonon response.Comment: 11 pages plus 8 figures (GIF format); to appear in Phys. Rev.

1H NMR studies of urine during fasting: excretion of ketone bodies and acetylcarnitine

High-resolution 1H NMR spectroscopy has been applied to a study of urine from five normal human subjects during a 48-h period of fasting and for 22 h thereafter. The excretion rates of all three ketone bodies (acetoacetate, 3-D-hydroxybutyrate, and acetone), acetylcaritine, and sarcosine during this period were measured. Parallel increases in the excretion of the ketone bodies and acetylcarnitine were observed during fasting with little change in the output of creatinine and sarcosine

Metabolic profiling of body fluids by proton NMR: self-poisoning episodes with paracetamol (acetaminophen)

1H NMR spectra of urine and plasma from subjects who had taken paracetamol (acetaminophen) at a therapeutic dose or in self-poisoning episodes (both fatal and nonfatal) are compared. They provide convenient metabolic profiles. For overdose cases, intense resonances corresponding to high levels of both drug and endogenous metabolites are observed. The ratios of glucuronide to sulfate conjugates are unusually high in urine from overdose cases. Elevated levels of the cysteinyl and N-acetyl cysteinyl conjugates reflect increased glutathione conjugation in the liver. The observed excretion of high levels of amino acids by overdose subjects is suggestive of drug-induced hepatic damage. No resonances for drug metabolites are detected in plasma samples. However, characteristic and abnormally intense resonances for the amino acids Phe, Tyr, His, Gin, Pro, Ala, Val, Lys, Met, Ser, and Thr are indicative of severe liver failure and disruption of normal deamination and transamination processes

Perceived interpersonal dimensions and its effect on rating bias: how neuroticism as a trait matters in rating creative works

Understanding any inter- and intra-personal dynamic that affects bias in the judgment of creative output is among numerous areas of focus for researchers in Psychology (or subset field). Notably, as a result of changes in interpersonal dynamics, conditions of subjective construal can induce bias either leniently or severely without any due awareness by the evaluator. Based on 153 Cantonese-English bilinguals, the present study explored two potentially relevant conditions in each of two separate experiments. The first condition (N = 90) examined whether the perceived dominance of the creator differentially affected individuals high in neuroticism in rating involving creativity performance. A generic and robust measure of creativity performance was operationalized and transformed to a score representing the extent the bias was embedded in the rating. In the second condition (N = 63), the perceived friendliness of the evaluation target was manipulated and neuroticism was also assessed. The results indicated raters low in neuroticism exhibited lenient rating bias irrespective of the perceived friendliness or dominance of the rating target. Raters high in neuroticism reported severe rating bias when their targets were perceived as non-dominant. The study demonstrates the application of the meta-theoretical framework of the cognitive-affective personality system. The discussion also emphasizes how the results contribute to development in creativity research—namely the perception and evaluation of creativity. Practical implications of using the findings in managing public expectations from art works to human resource management are posited