Spectrum of QCD at Finite Isospin Density

We study the phase diagram of QCD at finite isospin density using two flavors of staggered quarks. We investigate the low temperature region of the phase diagram where we find a pion condensation phase at high chemical potential. We started a basic analysis of the spectrum at finite isospin density. In particular, we measured pion, rho and nucleon masses inside and outside of the pion condensation phase. In agreement with previous studies in two-color QCD at finite baryon density we find that the Polyakov loop does not depend on the density in the staggered formulation.Comment: 8 pages, 7 figures, proceedings of Lattice2017, Granada, Spai

Causal beliefs about intellectual disability and schizophrenia and their relationship with awareness of the condition and social distance

Evidence on mental illness stigma abounds yet little is known about public perceptions of intellectual disability. This study examined causal beliefs about intellectual disability and schizophrenia and how these relate to awareness of the condition and social distance. UK lay people aged 16+(N=1752), in response to vignettes depicting intellectual disability and schizophrenia, noted their interpretation of the difficulties, and rated their agreement with 22 causal and four social distance items. They were most likely to endorse environmental causes for intellectual disability, and biomedical factors, trauma and early disadvantage for schizophrenia. Accurate identification of both vignettes was associated with stronger endorsement of biomedical causes, alongside weaker endorsement of adversity, environmental and supernatural causes. Biomedical causal beliefs and social distance were negatively correlated for intellectual disability, but not for schizophrenia. Causal beliefs mediated the relationship between identification of the condition and social distance for both conditions. While all four types of causal beliefs acted as mediators for intellectual disability, for schizophrenia only supernatural causal beliefs did. Educating the public and promoting certain causal beliefs may be of benefit in tackling intellectual disability stigma, but for schizophrenia, other than tackling supernatural attributions, may be of little benefit in reducing stigma

Induced fit for cytochrome P450 3A4 based on molecular dynamics

The present study aims at numerically describing to what extent substrate - enzyme complexes in solution may change over time as a natural process of conformational changes for a liganded enzyme in comparison to those movements which occur independently from substrate interaction, i.e. without a ligand. To this end, we selected structurally known pairs of liganded / unliganded CYP450 3A4 enzymes with different geometries hinting at induced fit events. We carried out molecular dynamics simulations (MD) comparing the trajectories in a “cross-over” protocol: (i) we added the ligand to the unliganded crystal form which should adopt geometries similar to the known geometry of the liganded crystal structure during MD, and – conversely – (ii) we removed the bound ligand form the known liganded complex to test if a geometry similar to the known unliganded (apo-) form can be adopted during MD. To compare continues changes we measured root means square deviations and frequencies. Results for case (i) hint at larger conformational changes required for accepting the substrate during its approach to final position – in contrast to case (ii) when mobility is fairly reduced by ligand binding (strain energy). In conclusion, a larger conformational sampling prior to ligand binding and the freezing-in (rigidity) of conformations for bound ligands can be interpreted as two conditions linked to induced-fit