Highly Selective Turn-on Fluorescence Sensor for Cd Ions by Tripodal Organic Ligand.

Organic fluorescence sensor for selectively detecting and quantifying toxic heavy metal ions has received significant interest due to their environmental hazards. Herein, we have designed and synthesized a simple tripodal Schiff base ligand (1) based on hydroxy-naphthaldehyde and tris(2-aminoethyl)amine (TREN) and demonstrated highly selective turn-on fluorescence sensing of Cd ions. The free ligand did not show any fluorescence in DMF.

Transitions Between Care Settings at the End of Life Among Older Homecare Recipients: A Population-Based Study.

Objectives were to (a) describe transitions between care settings in older homecare recipients at the end of life, and (b) examine what personal (e.g., age, sex) and health system factors (e.

Nonaffine displacements and the nonlinear response of a strained amorphous solid.

We demonstrate that irreversible structural reorganization is not necessary for the observation of yield behavior in an amorphous solid. While the majority of solids strained to their yield point do indeed undergo an irreversible reorganization, we find that a significant fraction of solids exhibits yield via a reversible strain. We also demonstrate that large instantaneous strains in excess of the yield stress can result in complete stress relaxation, a result of the large nonaffine motions driven by the applied strain.

Stakeholders' Perspectives towards the Use of the Comprehensive Health Assessment Program (CHAP) for Adults with Intellectual Disabilities in Manitoba.

Background: No standardized tool is used in Canada for comprehensive health assessments of adults with intellectual disabilities. This study was conducted to determine the feasibility of implementing the Comprehensive Health Assessment Program (CHAP) in Manitoba, Canada.

Method: This was a qualitative study using a purposive sample of physicians, nurse practitioners, support workers and families.

Long range stress correlations in the inherent structures of liquids at rest.

Simulation studies of the atomic shear stress in the local potential energy minima (inherent structures) are reported for binary liquid mixtures in 2D and 3D. These inherent structure stresses are fundamental to slow stress relaxation and high viscosity in supercooled liquids. We find that the atomic shear stress in the inherent structures (IS's) of both liquids at rest exhibits slowly decaying anisotropic correlations.

The biological function of an insect antifreeze protein simulated by molecular dynamics.

Antifreeze proteins (AFPs) protect certain cold-adapted organisms from freezing to death by selectively adsorbing to internal ice crystals and inhibiting ice propagation. The molecular details of AFP adsorption-inhibition is uncertain but is proposed to involve the Gibbs-Thomson effect. Here we show by using unbiased molecular dynamics simulations a protein structure-function mechanism for the spruce budworm Choristoneura fumiferana AFP, including stereo-specific binding and consequential melting and freezing inhibition.

The origin of persistent shear stress in supercooled liquids.

The persistence of shear stress fluctuations in viscous liquids is a direct consequence of the non-zero shear stress of the local potential minima which couples stress relaxation to transitions between inherent structures. In simulations of 2D and 3D glass forming mixtures, we calculate the distribution of this inherent shear stress and demonstrate that the variance is independent of temperature and obeys a power law in density. The inherent stress is shown to involve only long wavelength fluctuations, evidence of the central role of the static boundary conditions in determining the residual stress left after the minimization of the potential energy.

Vibrational dynamics and boson peak in a supercooled polydisperse liquid.

Vibrational density of states (VDOS) in a supercooled polydisperse liquid is computed by diagonalizing the Hessian matrix evaluated at the potential energy minima for systems with different values of polydispersity. An increase in polydispersity leads to an increase in the relative population of localized high-frequency modes. At low frequencies, the density of states shows an excess compared to the Debye squared-frequency law, which has been identified with the boson peak.

Suppression of the rate of growth of dynamic heterogeneities and its relation to the local structure in a supercooled polydisperse liquid.

The relationship between the microscopic arrangement of molecules in a supercooled liquid and its slow dynamics at low temperature near glass transition is studied by molecular dynamics simulations. A Lennard-Jones liquid with polydispersity in size and mass of constituent particles is chosen as the model system. Our studies reveal that the local structure (that varies with polydispersity) plays a crucial role both in the slowing down of dynamics and in the growth of the dynamic heterogeneities, besides determining the glass forming ability of the system.

Energy landscape, antiplasticization, and polydispersity induced crossover of heterogeneity in supercooled polydisperse liquids.

Polydispersity is found to have a significant effect on the potential energy landscape; the average inherent structure energy decreases with polydispersity. Increasing polydispersity at a fixed volume fraction decreases the glass transition temperature and the fragility of glass formation analogous to the antiplasticization seen in some polymeric melts. An interesting temperature dependent crossover of heterogeneity with polydispersity is observed at low temperature due to the faster buildup of dynamic heterogeneity at lower polydispersity.

Energy landscape view of nonideality in binary mixtures.

Positive and negative deviations from the prediction of Raoult's Law on the composition dependence of a property of binary mixtures are often explained in terms of structure formation and structure breakage, respectively, upon mixing. However, a detailed theoretical description of these ideas seems to be lacking in the literature. Here we present the energy landscape view of nonideality of the viscosity of the binary mixture using two different models, one for structure former and the other for structure breaker.