Heterogeneous biomedical database integration using a hybrid strategy: a p53 cancer research database.

Complex problems in life science research give rise to multidisciplinary collaboration, and hence, to the need for heterogeneous database integration. The tumor suppressor p53 is mutated in close to 50% of human cancers, and a small drug-like molecule with the ability to restore native function to cancerous p53 mutants is a long-held medical goal of cancer treatment. The Cancer Research DataBase (CRDB) was designed in support of a project to find such small molecules. As a cancer informatics project, the CRDB involved small molecule data, computational docking results, functional assays, and protein structure data. As an example of the hybrid strategy for data integration, it combined the mediation and data warehousing approaches. This paper uses the CRDB to illustrate the hybrid strategy as a viable approach to heterogeneous data integration in biomedicine, and provides a design method for those considering similar systems. More efficient data sharing implies increased productivity, and, hopefully, improved chances of success in cancer research. (Code and database schemas are freely downloadable, http://www.igb.uci.edu/research/research.html.)

Upper critical field reaches 90 tesla near the Mott transition in fulleride superconductors

分子からなる超伝導体が従来超伝導線材を凌駕する臨界磁場90テスラを達成 -分子性固体における超伝導材料開発の新たな指針-. 京都大学プレスリリース. 2017-02-20

Promotion of cooperation induced by nonlinear attractive effect in spatial Prisoner's Dilemma game

We introduce nonlinear attractive effects into a spatial Prisoner's Dilemma game where the players located on a square lattice can either cooperate with their nearest neighbors or defect. In every generation, each player updates its strategy by firstly choosing one of the neighbors with a probability proportional to $\mathcal{A}^\alpha$ denoting the attractiveness of the neighbor, where $\mathcal{A}$ is the payoff collected by it and $\alpha$ ($\geq$0) is a free parameter characterizing the extent of the nonlinear effect; and then adopting its strategy with a probability dependent on their payoff difference. Using Monte Carlo simulations, we investigate the density $\rho_C$ of cooperators in the stationary state for different values of $\alpha$. It is shown that the introduction of such attractive effect remarkably promotes the emergence and persistence of cooperation over a wide range of the temptation to defect. In particular, for large values of $\alpha$, i.e., strong nonlinear attractive effects, the system exhibits two absorbing states (all cooperators or all defectors) separated by an active state (coexistence of cooperators and defectors) when varying the temptation to defect. In the critical region where $\rho_C$ goes to zero, the extinction behavior is power law-like $\rho_C$ $\sim$ $(b_c-b)^{\beta}$, where the exponent $\beta$ accords approximatively with the critical exponent ($\beta\approx0.584$) of the two-dimensional directed percolation and depends weakly on the value of $\alpha$.Comment: 7 pages, 4 figure

Adolescent self-control predicts midlife hallucinatory experiences:40-year follow-up of a national birth cohort

Associations between self-control in adolescence and adult mental health are unclear in the general population; to our knowledge, no study has investigated self-control in relation to psychotic-like symptoms

An In Silico Approach for Evaluating a Fraction-Based, Risk Assessment Method for Total Petroleum Hydrocarbon Mixtures

Both the Massachusetts Department of Environmental Protection (MADEP) and the Total Petroleum Hydrocarbon Criteria Working Group (TPHCWG) developed fraction-based approaches for assessing human health risks posed by total petroleum hydrocarbon (TPH) mixtures in the environment. Both organizations defined TPH fractions based on their expected environmental fate and by analytical chemical methods. They derived toxicity values for selected compounds within each fraction and used these as surrogates to assess hazard or risk of exposure to the whole fractions. Membership in a TPH fraction is generally defined by the number of carbon atoms in a compound and by a compound's equivalent carbon (EC) number index, which can predict its environmental fate. Here, we systematically and objectively re-evaluate the assignment of TPH to specific fractions using comparative molecular field analysis and hierarchical clustering. The approach is transparent and reproducible, reducing inherent reliance on judgment when toxicity information is limited. Our evaluation of membership in these fractions is highly consistent (˜80% on average across various fractions) with the empirical approach of MADEP and TPHCWG. Furthermore, the results support the general methodology of mixture risk assessment to assess both cancer and noncancer risk values after the application of fractionation

Optimized unconventional superconductivity in a molecular Jahn-Teller metal

Understanding the relationship between the superconducting, the neighboring insulating, and the normal metallic state above Tc is a major challenge for all unconventional superconductors. The molecular A3C60 fulleride superconductors have a parent antiferromagnetic insulator in common with the atom-based cuprates, but here, the C603– electronic structure controls the geometry and spin state of the structural building unit via the on-molecule Jahn-Teller effect. We identify the Jahn-Teller metal as a fluctuating microscopically heterogeneous coexistence of both localized Jahn-Teller–active and itinerant electrons that connects the insulating and superconducting states of fullerides. The balance between these molecular and extended lattice features of the electrons at the Fermi level gives a dome-shaped variation of Tc with interfulleride separation, demonstrating molecular electronic structure control of superconductivity