An integrated solution and analysis of bioluminescence tomography and diffuse optical tomography

While diffuse optical tomography (DOT) has been studied for years, bioluminescence tomography (BLT) is emerging as a promising optical molecular imaging tool. These two modalities have different goals. DOT is for reconstruction of optical parameters of a medium such as a breast from surface measurements induced by external sources. BLT is for reconstruction of a bioluminescent source distribution in a medium such as a mouse from surface measurements induced by internal bioluminescent sources. However, an important pre-requisite for BLT reconstruction is the knowledge on the distribution of optical parameters within the medium, which is the output of DOT. In this paper, we propose a mathematical model integrating BLT and DOT at the fundamental level; that is, performing the two types of reconstructions simultaneously instead of doing them sequentially. The model is introduced through minimizing the difference between predicted quantities and boundary measurements, as well as incorporating regularization terms. Then, we show the solution existence, introduce numerical schemes and prove convergence of the numerical solution. We also present numerical results to illustrate the utility of our approach.     

A combined treatment of hydration and dynamical effects for the modeling of host–guest binding thermodynamics: the SAMPL5 blinded challenge

As part of the SAMPL5 blinded experiment, we computed the absolute binding free energies of 22 host–guest complexes employing a novel approach based on the BEDAM single-decoupling alchemical free energy protocol with parallel replica exchange conformational sampling and the AGBNP2 implicit solvation model specifically customized to treat the effect of water displacement as modeled by the Hydration Site Analysis method with explicit solvation. Initial predictions were affected by the lack of treatment of ionic charge screening, which is very significant for these highly charged hosts, and resulted in poor relative ranking of negatively versus positively charged guests. Binding free energies obtained with Debye–Hückel treatment of salt effects were in good agreement with experimental measurements. Water displacement effects contributed favorably and very significantly to the observed binding affinities; without it, the modeling predictions would have grossly underestimated binding. The work validates the implicit/explicit solvation approach employed here and it shows that comprehensive physical models can be effective at predicting binding affinities of molecular complexes requiring accurate treatment of conformational dynamics and hydration.     

Preparation of conductive,flexible and transparent films by in situ deposition of polypyrrole nanoparticles on polyethylene terephthalate

In this study polypyrrole (PPy) nanoparticles were deposited as a thin film on the modified surface of polyethyleneterephthalate (PET) by in situ chemical polymerization in the presence of sodium dodecylsulfate (SDS), sodium dodecylbenzenesulfonate (DBSNa) and mixture of them as the surfactant. The surface of PET was modified by KOH before deposition and was investigated for conductivity and adhesion of PPy nanoparticles to PET. Resulting conductive flexible films were characterized by UV–Vis spectroscopy, fieldemission scanning electron microscopy, contact angle measurements and four-point-probe technique for conductivity. Direct morphological observation (FESEM) and electrical measurements indicated that the morphology, conductivity and the nature of deposited PPy films depend on surfactant, surface modification of PET and monomer concentration. In optimized process condition, uniform conductive films of PPy were obtained with good adhesion to PET.     

Sodium chloride nanorods from nanorods of one-dimensional pencil-shaped sodium coordination polymer

By considering the structure of one-dimensional pencil-shaped organometallic coordination polymer that was previously reported, we designed and synthesized [Na(μ₂-Hdcpa)(μ₃-dcpa)] _n (1), [Hdcpa = 2,4-dichlorophenoxyacetic acid], which has one-dimensional pencil-shaped structure too. The Na atoms are surrounded with the aromatic phenyl rings of Hdcpa similar to graphite of a pencil. Metalophilic interactions also exists in 1 between Na(I) ions similar to argentophilic interaction in our previous compound which results in formation of chain structure similar to graphite structure of a pencil. Compound 1 nanorods were formed under ultrasonic irradiation and applied as template to fabricate sodium chloride nanorods. The interesting feature of our work is the formation of sodium chloride nanorods from compound 1 nanorods which have one-dimensional structure in the solid state.     

Exact analytical solutions for axial flow of a fractional second grade fluid between two coaxial cylinders

The velocity field and the adequate shear stress corresponding to the longitudinal flow of a fractional second grade fluid, between two infinite coaxial circular cylinders, are determined by applying the Laplace and finite Hankel transforms. Initially the fluid is at rest, and at time t = 0⁺, the inner cylinder suddenly begins to translate along the common axis with constant acceleration. The solutions that have been obtained are presented in terms of generalized G functions. Moreover, these solutions satisfy both the governing differential equations and all imposed initial and boundary conditions. The corresponding solutions for ordinary second grade and Newtonian fluids are obtained as limiting cases of the general solutions. Finally, some characteristics of the motion, as well as the influences of the material and fractional parameters on the fluid motion and a comparison between models, are underlined by graphical illustrations.     

Normalizability of one-dimensional quasi-exactly solvable Schrödinger operators

We completely determine necessary and sufficient conditions for the normalizability of the wave functions giving the algebraic part of the spectrum of a quasi-exactly solvable Schrödinger operator on the line. Methods from classical invariant theory are employed to provide a complete list of canonical forms for normalizable quasi-exactly solvable Hamiltonians and explicit normalizability conditions in general coordinate systems.Supported in Part by DGICYT Grant PS 89-0011Supported in Part by an NSERC GrantSupported in Part by NSF Grant DMS 92-04192     

Tissue self-affinity and polarized light scattering in the born approximation: a new model for precancer detection

Light scattered from biological tissues can exhibit an inverse power law spectral component. We develop a model based on the Born approximation and von Karman (self-affine) spatial correlation of submicron tissue refractive index to account for this. The model is applied to light scattering spectra obtained from excised esophagi of normal and carcinogen-treated rats. Power law exponents used to fit dysplastic tissue site spectra are significantly smaller than those from normal sites, indicating that changes in tissue self-affinity can serve as a potential biomarker for precancer.     

Kiwifruit Actinidin: A Proper New Collagenase for Isolation of Cells from Different Tissues

Actinidin is a cysteine protease abundant in Kiwifruit. This enzyme is known as a meat-tenderizing protease. In this project, actinidin was purified from kiwifruit by salt precipitation and ion exchange chromatography. Collagenolytic effect of the purified enzyme was tested in four different buffer systems. Thereafter, the enzyme was used for isolation and culture of cells from three different tissues: endothelial cells from human umbilical vein, hepatocytes from rat liver, and thymic epithelial cells from rat thymus. Our results revealed that actinidin can hydrolyze collagen types I and II at neutral and alkaline buffers. Furthermore, actinidin compared with type II or IV collagenase isolated intact human umbilical vein endothelial cells, hepatocytes, and thymic epithelial cells with viability more than 90%. These results address a novel and valuable collagenase, which can be used efficiently for hydrolysis of collagen and isolation of different cell populations from various solid tissues.