Ab initio theory and modeling of water

Water is of the utmost importance for life and technology. However, a genuinely predictive ab initio model of water has eluded scientists. We demonstrate that a fully ab initio approach, relying on the strongly constrained and appropriately normed (SCAN) density functional, provides such a description of water. SCAN accurately describes the balance among covalent bonds, hydrogen bonds, and van der Waals interactions that dictates the structure and dynamics of liquid water. Notably, SCAN captures the density difference between water and ice I{\it h} at ambient conditions, as well as many important structural, electronic, and dynamic properties of liquid water. These successful predictions of the versatile SCAN functional open the gates to study complex processes in aqueous phase chemistry and the interactions of water with other materials in an efficient, accurate, and predictive, ab initio manner

Continuum Superpartners

In an exact conformal theory there is no particle. The excitations have continuum spectra and are called "unparticles" by Georgi. We consider supersymmetric extensions of the Standard Model with approximate conformal sectors. The conformal symmetry is softly broken in the infrared which generates a gap. However, the spectrum can still have a continuum above the gap if there is no confinement. Using the AdS/CFT correspondence this can be achieved with a soft wall in the warped extra dimension. When supersymmetry is broken the superpartners of the Standard Model particles may simply be a continuum above gap. The collider signals can be quite different from the standard supersymmetric scenarios and the experimental searches for the continuum superpartners can be very challenging.Comment: 15 pages, 5 figures, talk at SCGT09 Workshop, Nagoya, Japan, 8-11 Dec, 200

Metabolomic Heterogeneity of Pulmonary Arterial Hypertension

published_or_final_versio

Diabetes and Prediabetes and Risk of Hospitalization: The Atherosclerosis Risk in Communities (ARIC) Study

To examine the magnitude and types of hospitalizations among persons with prediabetes, undiagnosed diabetes, and diagnosed diabetes

GPER-induced signaling is essential for the survival of breast cancer stem cells.

G protein-coupled estrogen receptor-1 (GPER), a member of the G protein-coupled receptor (GPCR) superfamily, mediates estrogen-induced proliferation of normal and malignant breast epithelial cells. However, its role in breast cancer stem cells (BCSCs) remains unclear. Here we showed greater expression of GPER in BCSCs than non-BCSCs of three patient-derived xenografts of ER- /PR+ breast cancers. GPER silencing reduced stemness features of BCSCs as reflected by reduced mammosphere forming capacity in vitro, and tumor growth in vivo with decreased BCSC populations. Comparative phosphoproteomics revealed greater GPER-mediated PKA/BAD signaling in BCSCs. Activation of GPER by its ligands, including tamoxifen (TMX), induced phosphorylation of PKA and BAD-Ser118 to sustain BCSC characteristics. Transfection with a dominant-negative mutant BAD (Ser118Ala) led to reduced cell survival. Taken together, GPER and its downstream signaling play a key role in maintaining the stemness of BCSCs, suggesting that GPER is a potential therapeutic target for eradicating BCSCs

High resolution Compton scattering as a Probe of the Fermi surface in the Iron-based superconductor LaO1−xFxFeAsLaO_{1-x}F_xFeAs

We have carried out first principles all-electron calculations of the (001)-projected 2D electron momentum density and the directional Compton profiles along the [100], [001] and [110] directions in the Fe-based superconductor LaOFeAs within the framework of the local density approximation. We identify Fermi surface features in the 2D electron momentum density and the directional Compton profiles, and discuss issues related to the observation of these features via Compton scattering experiments.Comment: 4 pages, 3 figure

Missing Momentum Reconstruction and Spin Measurements at Hadron Colliders

We study methods for reconstructing the momenta of invisible particles in cascade decay chains at hadron colliders. We focus on scenarios, such as SUSY and UED, in which new physics particles are pair produced. Their subsequent decays lead to two decay chains ending with neutral stable particles escaping detection. Assuming that the masses of the decaying particles are already measured, we obtain the momenta by imposing the mass-shell constraints. Using this information, we develop techniques of determining spins of particles in theories beyond the standard model. Unlike the methods relying on Lorentz invariant variables, this method can be used to determine the spin of the particle which initiates the decay chain. We present two complementary ways of applying our method by using more inclusive variables relying on kinematic information from one decay chain, as well as constructing correlation variables based on the kinematics of both decay chains in the same event.Comment: Version to appear in JHE