Identification of complex biological network classes using extended correlation analysis

Modeling and analysis of complex biological networks necessitates suitable handling of data on a parallel scale. Using the IkB-NF-kB pathway model and a basis of sensitivity analysis, analytic methods are presented, extending correlation from the network kinetic reaction rates to that of the rate reactions. Alignment of correlated processed components, vastly outperforming correlation of the data source, advanced sets of biological classes possessing similar network activities. Additional construction generated a naturally structured, cardinally based system for component-specific investigation. The computationally driven procedures are described, with results demonstrating viability as mechanisms useful for fundamental oscillatory network activity investigation

Decision Aid Implementation and Patients' Preferences for Hip and Knee Osteoarthritis Treatment: Insights from the High Value Healthcare Collaborative.

Background:Shared decision making (SDM) research has emphasized the role of decision aids (DAs) for helping patients make treatment decisions reflective of their preferences, yet there have been few collaborative multi-institutional efforts to integrate DAs in orthopedic consultations and primary care encounters. Objective:In the context of routine DA implementation for SDM, we investigate which patient-level characteristics are associated with patient preferences for surgery versus medical management before and after exposure to DAs. We explored whether DA implementation in primary care encounters was associated with greater shifts in patients' treatment preferences after exposure to DAs compared to DA implementation in orthopedic consultations. Design:Retrospective cohort study. Setting:10 High Value Healthcare Collaborative (HVHC) health systems. Study participants:A total of 495 hip and 1343 adult knee osteoarthritis patients who were exposed to DAs within HVHC systems between July 2012 to June 2015. Results:Nearly 20% of knee patients and 17% of hip patients remained uncertain about their treatment preferences after viewing DAs. Older patients and patients with high pain levels had an increased preference for surgery. Older patients receiving DAs from three HVHC systems that transitioned DA implementation from orthopedics into primary care had lower odds of preferring surgery after DA exposure compared to older patients in seven HVHC systems that only implemented DAs for orthopedic consultations. Conclusion:Patients' treatment preferences were largely stable over time, highlighting that DAs for SDM largely do not necessarily shift preferences. DAs and SDM processes should be targeted at older adults and patients reporting high pain levels. Initiating treatment conversations in primary versus specialty care settings may also have important implications for engagement of patients in SDM via DAs

Methodology for determining the electronic thermal conductivity of metals via direct non-equilibrium ab initio molecular dynamics

Many physical properties of metals can be understood in terms of the free electron model, as proven by the Wiedemann-Franz law. According to this model, electronic thermal conductivity ($\kappa_{el}$) can be inferred from the Boltzmann transport equation (BTE). However, the BTE does not perform well for some complex metals, such as Cu. Moreover, the BTE cannot clearly describe the origin of the thermal energy carried by electrons or how this energy is transported in metals. The charge distribution of conduction electrons in metals is known to reflect the electrostatic potential (EP) of the ion cores. Based on this premise, we develop a new methodology for evaluating $\kappa_{el}$ by combining the free electron model and non-equilibrium ab initio molecular dynamics (NEAIMD) simulations. We demonstrate that the kinetic energy of thermally excited electrons originates from the energy of the spatial electrostatic potential oscillation (EPO), which is induced by the thermal motion of ion cores. This method directly predicts the $\kappa_{el}$ of pure metals with a high degree of accuracy.Comment: 7 pages, 3 figures, with Supplementary Information of 19 pages, 7 figures and 7 table

Shift-Reduce CCG Parsing with a Dependency Model

This paper presents the first dependency model for a shift-reduce CCG parser. Modelling dependencies is desirable for a number of reasons, including handling the “spurious ” ambiguity of CCG; fitting well with the theory of CCG; and optimizing for structures which are evaluated at test time. We develop a novel training technique using a dependency oracle, in which all derivations are hidden. A challenge arises from the fact that the oracle needs to keep track of exponentially many goldstandard derivations, which is solved by integrating a packed parse forest with the beam-search decoder. Standard CCGBank tests show the model achieves up to 1.05 labeled F-score improvements over three existing, competitive CCG parsing models

Creep buckling behavior of high-strength concrete panels in two-way action

The nonlinear long-term behavior of slender high-strength concrete (HSC) panels in two-way action is investigated in this paper. A theoretical model that considers the geometric nonlinearity and creep of concrete is developed based on a time-stepping analysis. A rheological material model that is based on the generalized Maxwell chain is adopted to model the concrete creep. Von Karman plate theory is used to derive the incremental governing equations. The equations are solved numerically at each time step based on a Fourier series expansion of the deformations and loads in one direction, and using the numerical multiple shooting method in the other direction. The capabilities of the model are demonstrated through a numerical example and a parametric study. The numerical study shows that the model can effectively predict the time-dependent behavior of two-way HSC panels, where the out-of-plane deflection and internal bending moments increase with time as a result of the combined effects of creep and geometric nonlinearity. These effects may ultimately lead to creep buckling failures. A parametric study is carried out to investigate the effects of in-plane load level, load eccentricity and slenderness ratio. It is revealed that the long-term behavior of two-way HSC panels is very sensitive to these parameters

Amidoalkylation reactions of anilines. A direct synthesis of benzodiazepines

Intermolecular amidoalkylation reactions on aromatic rings constitute an effective strategy for the construction of heterocyclic c0mpounds.l A variety of substituents, including nitro groups, can be accommodated on the aromatic ring. However, anilines or acetanilides react with acyl iminium ions to afford mixtures of products in only modest yields.2 Moreover, the reactions with both o- and p-toluidine yield products wherein the position of substitution of the electrophile is directed by the methyl groupq3 This reactivity profile is due to deactivation by the iminium salt that is produced either by protonation in an acid-catalyzed reaction or by complexation with the Lewis acid catalyst