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CrRb: A molecule with large magnetic and electric dipole moments

We report calculations of Born-Oppenheimer potential energy curves of the chromium-rubidium heteronuclear molecule ((CrRb)-Cr-52-Rb-87), and the long-range dispersion coefficient for the interaction between ground state Cr and Rb atoms. Our calculated van der Waals coefficient (C-6 = 1770 a.u.) has an expected error of 3%. The ground state (6)Sigma(+) molecule at its equilibrium separation has a p

Neutron Crystallographic Studies Reveal Hydrogen Bond and Water-Mediated Interactions between a Carbohydrate-Binding Module and Its Bound Carbohydrate Ligand.

Carbohydrate-binding modules (CBMs) are key components of many carbohydrate-modifying enzymes. CBMs affect the activity of these enzymes by modulating bonding and catalysis. To further characterize and study CBM-ligand binding interactions, neutron crystallographic studies of an engineered family 4-type CBM in complex with a branched xyloglucan ligand were conducted. The first neutron crystal stru

Adsorption, desorption, and surface-promoted hydrolysis of glucose-1-phosphate in aqueous goethite (alpha-feooh) suspensions

Adsorption, desorption, and precipitation reactions at environmental interfaces govern the fate of phosphorus in terrestrial and aquatic environments. Typically, a substantial part of the total pool of phosphorus consists of organophosphate, and in this study we have focused on the interactions between glucose-I-phosphate (G I P) and goethite (alpha-FeOOH) particles. The adsorption and surface-pro

Effectiveness of beads for tracking small-scale molecular motor dynamics

Investigations into molecular motor dynamics are increasingly focused on small-scale features of the motor's motion. We define performance measures of a common type of single-molecule motility assay, the bead assay, for its ability to detect such features. Using numerical models, we explore the dependence of assay performance on a number of experimentally controllable parameters, including bead si

Geriatric Experience Following Cardiac Arrest at Six Interventional Cardiology Centers in the United States 2006-2011: Interplay of Age, Do-Not-Resuscitate Order, and Outcomes.

It is not known if aggressive postresuscitation care, including therapeutic hypothermia and percutaneous coronary intervention, benefits cardiac arrest survivors more than 75 years old. We compared treatments and outcomes of patients at six regional percutaneous coronary intervention centers in the United States to determine if aggressive care of elderly patients was warranted.

Binding Affinities of Factor Xa Inhibitors Estimated by Thermodynamic Integration and MM/GBSA.

We present free energy estimates of nine 3-amidinobenzyl-1H-indole-2-carboxamide inhibitors of factor Xa. Using alchemical thermodynamic integration (TI) calculations, we estimate the difference in binding free energies with high accuracy and precision, except for mutations involving one of the amidinobenzyl rings. Crystal studies show that the inhibitors may bind in two distinct conformations, an

Comorbidity and health-related quality of life in patients with severe chronic obstructive pulmonary disease attending Swedish secondary care units

Introduction: Our understanding of how comorbid diseases influence health-related quality of life (HRQL) in patients with chronic obstructive pulmonary disease (COPD) is limited and in need of improvement. The aim of this study was to examine the associations between comorbidities and HRQL as measured by the instruments EuroQol-5 dimension (EQ-5D) and the COPD Assessment Test (CAT). Methods: Infor

Measurements of occupancy levels in multi-family dwellings-Application to demand controlled ventilation

The occupancy level of dwellings is an important parameter to know to determine the energy efficiency, energy use and indoor air quality, especially in low-energy buildings where the user-related energy uses, such as household electricity and domestic hot water heating, are significant parts of the energy balance in a building. For residential buildings, there is a lack of occupancy level data, wh

Amoxicillin for acute lower-respiratory-tract infection in primary care when pneumonia is not suspected: a 12-country, randomised, placebo-controlled trial

Background Lower-respiratory-tract infection is one of the most common acute illnesses managed in primary care. Few placebo-controlled studies of antibiotics have been done, and overall effectiveness (particularly in subgroups such as older people) is debated. We aimed to compare the benefits and harms of amoxicillin for acute lower-respiratory-tract infection with those of placebo both overall an

Measurement of electrons from semileptonic heavy-flavor hadron decays in pp collisions at root s=2.76 TeV

The p(T)-differential production cross section of electrons from semileptonic decays of heavy-flavor hadrons has been measured at midrapidity in proton-proton collisions at root s = 2.76 TeV in the transverse momentum range 0.5 < p(T) < 12 GeV/c with the ALICE detector at the LHC. The analysis was performed using minimum bias events and events triggered by the electromagnetic calorimeter. Predicti

An activity systemic approach to augmentative and alternative communication.

The purpose of this paper is to discuss and highlight how Cultural-Historical Activity Theory (CHAT) can contribute to the understanding of the different factors at play when a person is using augmentative and alternative communication (AAC). It is based on data from a 3-year project concerning activity-based vocabulary design of voice output communication aids (VOCAs). Four persons who used AAC a

Land markets and agrarian backwardness (Spain, 1900)

Abstract in UndeterminedTo what extent were land markets the cause of Spanish agrarian backwardness? To address this unresolved issue, this paper uses new provincial data on average real land prices, together with a province-level variation in land productivity, to analyze the efficiency of land markets. Specifically, we test, first, whether land markets were spatially integrated and, secondly, wh

Multiplexing of miniaturized planar antibody arrays for serum protein profiling - a biomarker discovery in SLE nephritis.

In the quest to decipher disease-associated biomarkers, miniaturized and multiplexed antibody arrays may play a central role in generating protein expression profiles, or protein maps, of crude serum samples. In this conceptual study, we explored a novel, 4-times larger pen design, enabling us to, in a unique manner, simultaneously print 48 different reagents (antibodies) as individual 78.5 μm(2)

Sea-level changes across the Paleocene-Eocene interval in the Spanish Pyrenees, and their possible relationship with North Atlantic magmatism

The issue of whether major and rapid global sea-level changes existed on a preglacial Earth can be resolved by the detailed study of the Paleocene-Eocene (P-E) interval, where a large and rapid carbon isotope excursion linked to an important global warming event, the Paleocene Eocene Thermal Maximum, allows for high-resolution correlation between terrestrial, coastal and marine settings. Based pri

Communication and Trust in the Care Provided to a Dying Parent: A Nationwide Study of Cancer-Bereaved Youths.

PURPOSETo assess children's trust in the care provided to a dying parent during the final week of life in relation to end-of-life medical information about disease, treatment, and death. METHODSThis nationwide population-based survey included 622 (73%) of 851 youths who, 6 to 9 years earlier, at age 13 to 16 years, lost a parent to cancer. We asked about the children's reception of end-of-life pro

On large eddy simulation of diesel spray for internal combustion engines

Large eddy simulation of diesel spray in a constant volume vessel as well as in an internal combustion engine has been performed. Spray is modeled using Eulerian-Lagrangian approach. The modeling involves primary and secondary break-up, the spray-induced turbulence (SIT) and the stochastic turbulence dispersion (STD) of parcels. Including SIT, based on Baharawaj et al. (2009), in coarse grids, e.g

EuroInf: A Multicenter Comparative Observational Study of Apomorphine and Levodopa Infusion in Parkinson's Disease

Subcutaneous apomorphine infusion (Apo) and intrajejunal levodopa infusion (IJLI) are two treatment options for patients with advanced Parkinson's disease (PD) and refractory motor complications, with varying cost of treatment. There are no multicenter studies comparing the effects of the two strategies. This open-label, prospective, observational, 6-month, multicenter study compared 43 patients o