The Reproducing Kernel DMS-FEM: 3D Shape Functions and Applications to Linear Solid Mechanics

We propose a family of 3D versions of a smooth finite element method (Sunilkumar and Roy 2010), wherein the globally smooth shape functions are derivable through the condition of polynomial reproduction with the tetrahedral B-splines (DMS-splines) or tensor-product forms of triangular B-splines and ID NURBS bases acting as the kernel functions. While the domain decomposition is accomplished through tetrahedral or triangular prism elements, an additional requirement here is an appropriate generation of knotclouds around the element vertices or corners. The possibility of sensitive dependence of numerical solutions to the placements of knotclouds is largely arrested by enforcing the condition of polynomial reproduction whilst deriving the shape functions. Nevertheless, given the higher complexity in forming the knotclouds for tetrahedral elements especially when higher demand is placed on the order of continuity of the shape functions across inter-element boundaries, we presently emphasize an exploration of the triangular prism based formulation in the context of several benchmark problems of interest in linear solid mechanics. In the absence of a more rigorous study on the convergence analyses, the numerical exercise, reported herein, helps establish the method as one of remarkable accuracy and robust performance against numerical ill-conditioning (such as locking of different kinds) vis-a-vis the conventional FEM.

Resistivity imaging of a reconfigurable phantom with circular inhomogeneities in 2D-electrical impedance tomography

Resistivity imaging of a reconfigurable phantom with circular inhomogeneities is studied with a simple instrumentation and data acquisition system for Electrical Impedance Tomography. The reconfigurable phantom is developed with stainless steel electrodes and a sinusoidal current of constant amplitude is injected to the phantom boundary using opposite current injection protocol. Nylon and polypropylene cylinders with different cross sectional areas are kept inside the phantom and the boundary potential data are collected. The instrumentation and the data acquisition system with a DIP switch-based multiplexer board are used to inject a constant current of desired amplitude and frequency. Voltage data for the first eight current patterns (128 voltage data) are found to be sufficient to reconstruct the inhomogeneities and hence the acquisition time is reduced. Resistivity images are reconstructed from the boundary data for different inhomogeneity positions using EIDORS-2D. The results show that the shape and resistivity of the inhomogeneity as well as the background resistivity are successfully reconstructed from the potential data for single or double inhomogeneity phantoms. The resistivity images obtained from the single and double inhomogeneity phantom clearly indicate the inhomogeneity as the high resistive material. Contrast to noise ratio (CNR) and contrast recovery (CR) of the reconstructed images are found high for the inhomogeneities near all the electrodes arbitrarily chosen for the entire study. (C) 2010 Elsevier Ltd. All rights reserved.

A general procedure for modified crack closure integral in 3D problems with cracks

In linear elastic fracture mechanics (LEFM), Irwin's crack closure integral (CCI) is one of the signficant concepts for the estimation of strain energy release rates (SERR) G, in individual as well as mixed-mode configurations. For effective utilization of this concept in conjunction with the finite element method (FEM), Rybicki and Kanninen [Engng Fracture Mech. 9, 931 938 (1977)] have proposed simple and direct estimations of the CCI in terms of nodal forces and displacements in the elements forming the crack tip from a single finite element analysis instead of the conventional two configuration analyses. These modified CCI (MCCI) expressions are basically element dependent. A systematic derivation of these expressions using element stress and displacement distributions is required. In the present work, a general procedure is given for the derivation of MCCI expressions in 3D problems with cracks. Further, a concept of sub-area integration is proposed which facilitates evaluation of SERR at a large number of points along the crack front without refining the finite element mesh. Numerical data are presented for two standard problems, a thick centre-cracked tension specimen and a semi-elliptical surface crack in a thick slab. Estimates for the stress intensity factor based on MCCI expressions corresponding to eight-noded brick elements are obtained and compared with available results in the literature.

Novel gray coded pattern for unwrapping phase in fringe projection based 3D profiling

A method to reliably extract object profiles even with height discontinuities (that leads to 2n pi phase jumps) is proposed. This method uses Fourier transform profilometry to extract wrapped phase, and an additional image formed by illuminating the object of interest by a novel gray coded pattern for phase unwrapping. Simulation results suggest that the proposed approach not only retains the advantages of the original method, but also contributes significantly in the enhancement of its performance. Fundamental advantage of this method stems from the fact that both extraction of wrapped phase and unwrapping the same were done by gray scale images. Hence, unlike the methods that use colors, proposed method doesn't demand a color CCD camera and is ideal for profiling objects with multiple colors.

Rectilinear Path Following in 3D Space

This paper addresses the problem of determining an optimal (shortest) path in three dimensional space for a constant speed and turn-rate constrained aerial vehicle, that would enable the vehicle to converge to a rectilinear path, starting from any arbitrary initial position and orientation. Based on 3D geometry, we propose an optimal and also a suboptimal path planning approach. Unlike the existing numerical methods which are computationally intensive, this optimal geometrical method generates an optimal solution in lesser time. The suboptimal solution approach is comparatively more efficient and gives a solution that is very close to the optimal one. Due to its simplicity and low computational requirements this approach can be implemented on an aerial vehicle with constrained turn radius to reach a straight line with a prescribed orientation as required in several applications. But, if the distance between the initial point and the straight line to be followed along the vertical axis is high, then the generated path may not be flyable for an aerial vehicle with limited range of flight path angle and we resort to a numerical method for obtaining the optimal solution. The numerical method used here for simulation is based on multiple shooting and is found to be comparatively more efficient than other methods for solving such two point boundary value problem.

Terpyridine Oxovanadium(IV) Complexes of Phenanthroline Bases for Cellular Imaging and Photocytotoxicity in HeLa Cells

Oxovanadium(IV) complexes VO(N-N-N)(N-N)](NO3)(2) (1-4) of (4'-phenyl)-2,2': 6',2 `'-terpyridine (ph-tpy in 1 and 2) or (4'-pyrenyl)-2,2':6',2 `'-terpyridine (py-tpy in 3 and 4) having N-N as 1,10-phenanthroline (phen in 1 and 3) or dipyrido3,2-a:2',3'-c]phenazine (dppz in 2 and 4) are prepared and characterized. The crystal structure of 1 has VO2+ group in VN5O coordination geometry. The terpyridine ligand coordinates in a meridional binding mode. The phen ligand displays a chelating mode of binding with an N-donor site trans to the vanadyl oxo group. The complexes show a d-d band in the range of 710-770 nm in aqueous DMF (4:1 v/v). The complexes exhibit an irreversible V-IV/V-III redox response near -1.0 V vs. SCE in aqueous DMF/0.1 M KCl. The complexes bind to CT DNA giving K-b values within 3.5 x 10(5) to 1.2 x 10(6) M-1. The complexes show poor chemical nuclease activity in dark. Complexes 2-4 show photonuclease activity in UV-A light of 365 nm forming O-1(2) and (OH)-O-center dot. Complex 4 shows DNA photocleavage activity at near-IR light of 785 nm forming (OH)-O-center dot radicals. Complexes 2 and 4 show significant photocytotoxicity in HeLa cancer cells. Uptake of the complexes in HeLa cells, studied by fluorescence imaging, show predominantly cytosolic localization inside the cells.

Imaging in vivo Neuronal Transport in Genetic Model Organisms Using Microfluidic Devices

Microfluidic devices have been developed for imaging behavior and various cellular processes in Caenorhabditis elegans, but not subcellular processes requiring high spatial resolution. In neurons, essential processes such as axonal, dendritic, intraflagellar and other long-distance transport can be studied by acquiring fast time-lapse images of green fluorescent protein (GFP)-tagged moving cargo. We have achieved two important goals in such in vivo studies namely, imaging several transport processes in unanesthetized intact animals and imaging very early developmental stages. We describe a microfluidic device for immobilizing C. elegans and Drosophila larvae that allows imaging without anesthetics or dissection. We observed that for certain neuronal cargoes in C. elegans, anesthetics have significant and sometimes unexpected effects on the flux. Further, imaging the transport of certain cargo in early developmental stages was possible only in the microfluidic device. Using our device we observed an increase in anterograde synaptic vesicle transport during development corresponding with synaptic growth. We also imaged Q neuroblast divisions and mitochondrial transport during early developmental stages of C. elegans and Drosophila, respectively. Our simple microfluidic device offers a useful means to image high-resolution subcellular processes in C. elegans and Drosophila and can be readily adapted to other transparent or translucent organisms.

Electronic structure of early 3d-transition-metal oxides by analysis of the 2p core-level photoemission spectra

The electronic structures of a wide range of early transition-metal (TM) compounds, including Ti and V oxides with metal valences ranging from 2+ to 5+ and formal d-electron numbers ranging from 0 to 2, have been investigated by a configuration-interaction cluster model analysis of the core-level metal 2p x-ray photoemission spectra (XPS). Inelastic energy-loss backgrounds calculated from experimentally measured electron-energy-loss spectra (EELS) were subtracted from the XPS spectra to remove extrinsic loss features. Parameter values deduced for the charge-transfer energy Delta and the d-d Coulomb repulsion energy U are shown to continue the systematic trends established previously for the late TM compounds, giving support to a charge-transfer mechanism for the satellite structures. The early TM compounds are characterized by a large metal d-ligand p hybridization energy, resulting in strong covalency in these compounds. Values for Delta and U suggest that many early TM compounds should be reclassified as intermediate between the charge-transfer regime and the Mott-Hubbard regime.

Spatial distribution of oil in groundnut and sunflower seeds by nuclear magnetic resonance imaging

The nuclear magnetic resonance imaging technique has been used to obtain images of different transverse and vertical sections in groundnut and sunflower seeds. Separate images have been obtained for oil and water components in the seeds. The spatial distribution of oil and water inside the seed has been obtained from the detailed analysis of the images. In the immature groundnut seeds obtained commercially, complementary oil and water distributions have been observed. Attempts have been made to explain these results.

Impact of metal binding on the antitumor activity and cellular imaging of a metal chelator cationic imidazopyridine derivative

A new water soluble cationic imidazopyridine species, viz. (1E)-1-((pyridin-2-yl)methyleneamino)-3-(3(pyridin-2-yl) imidazo1,5-a]pyridin-2(3H)-yl)propan-2-ol (1), as a metal chelator is prepared as its PF6 salt and characterized. Compound 1 shows fluorescence at 438 nm on excitation at 342 nm in Tris-HCl buffer giving a fluorescence quantum yield (phi) of 0.105 and a life-time of 5.4 ns. Compound 1, as an avid DNA minor groove binder, shows pUC19 DNA cleavage activity in UV-A light of 365 nm forming singlet oxygen species in a type-II pathway. The photonuclease potential of 1 gets enhanced in the presence of Fe2+, Cu2+ or Zn2+. Compound 1 itself displays anticancer activity in HeLa, HepG2 and Jurkat cells with an enhancement on addition of the metal ions. Photodynamic effect of 1 at 365 nm also gets enhanced in the presence of Fe2+ and Zn2+. Fluorescence-based cell cycle analysis shows a significant dead cell population in the sub-G1 phase of the cell cycle suggesting apoptosis via ROS generation. A significant change in the nuclear morphology is observed from Hoechst 33258 and an acridine orange/ethidium bromide (AO/EB) dual nuclear staining suggesting apoptosis in cells when treated with 1 alone or in the presence of the metal ions. Apoptosis is found to be caspase-dependent. Fluorescence imaging to monitor the distribution of 1 in cells shows that 1 in the presence of metal ions accumulates predominantly in the cytoplasm. Enhanced uptake of 1 into the cells within 12 h is observed in the presence of Fe2+ and Zn2+.

A novel zinc bis(thiosemicarbazone) complex for live cell imaging

Fluorescent zinc complexes have recently attracted a lot of interest owing to their vast applications in cellular imaging. We report the synthesis as well as physical, chemical and biological studies of a novel zinc glyoxalbis(4-methyl-4-phenyl-3-thiosemicarbazone), Zn (GTSC)](3), complex. As compared with the well-studied zinc biacetylbis(4-methyl-3-thiosemicarbazone), Zn(ATSM), complex, which was used as a reference, Zn(GTSC)](3) had 2.5-fold higher fluorescence. When cellular fluorescence was measured using flow cytometry, we observed that Zn(GTSC)](3) had 3.4-fold to 12-fold higher fluorescence than Zn(ATSM) in various cell lines (n = 9) of different tissue origin. Confocal fluorescence microscopy results showed that Zn(GTSC)](3) appeared to have a nuclear localization within 30 mm of addition to MCF7 cells. Moreover, Zn(GTSC)](3) showed minimal cytotoxicity compared with Zn(ATSM), suggesting that Zn(GTSC)](3) may be less deleterious to cells when used as an imaging agent. Our data suggest that the novel Zn(GTSC)](3) complex can potentially serve as a biocompatible fluorescent imaging agent for live cells.

A Procedure for the 3D Reconstruction of Biological Organs from 2D Image Sequences

In this work, a procedure is presented for the reconstruction of biological organs from image sequences obtained through CT-scan. Although commercial software, which can accomplish this task, are readily available, the procedure presented here needs only free software. The procedure has been applied to reconstruct a liver from the scan data available in literature. 3D biological organs obtained this way can be used for the finite element analysis of biological organs and this has been demonstrated by carrying out an FE analysis on the reconstructed liver.

Magnetism in MnPSe3: a layered 3d(5) antiferromagnet with unusually large XY anisotropy

The anisotropic magnetic susceptibilities of single crystals of the isostructural layered antiferromagnets, MnPS3 (T-N = 78 K) and MnPSe3 (T-N = 74 K), have been measured as functions of temperature. In both compounds, divalent manganese is present in the high-spin S = 5/2 state. The anisotropies in the susceptibilities of the two are, however, very different; while the susceptibility of MnPS3 is isotropic, that of MnPSe3 shows a large XY anisotropy, unusual for a manganese compound. The anisotropic susceptibilities are described by the zero-field spin Hamiltonian: H = DSiz2 - Sigma J(ij).(S) over right arrow (S) over right arrow(j) with the quadratic single-ion anisotropy term introducing anisotropy in an otherwise isotropic situation. The exchange J and the single-ion zero-field-splitting (ZFS) parameter D were evaluated using the correlated effective-field theory of Lines. For MnPSe3, J/k = -5.29 K and D/k = 26.6 K, while for isotropic MnPS3, J/k = -8.1 K. It is suggested that the large value of the ZFS parameter for MnPSe3 as compared to MnPS3 could be due to the large ligand spin-orbit contribution of the heavier selenium.

High contrast imaging and thickness determination of graphene with in-column secondary electron microscopy

We report a new method for quantitative estimation of graphene layer thicknesses using high contrast imaging of graphene films on insulating substrates with a scanning electron microscope. By detecting the attenuation of secondary electrons emitted from the substrate with an in-column low-energy electron detector, we have achieved very high thickness-dependent contrast that allows quantitative estimation of thickness up to several graphene layers. The nanometer scale spatial resolution of the electron micrographs also allows a simple structural characterization scheme for graphene, which has been applied to identify faults, wrinkles, voids, and patches of multilayer growth in large-area chemical vapor deposited graphene. We have discussed the factors, such as differential surface charging and electron beam induced current, that affect the contrast of graphene images in detail. (C) 2011 American Institute of Physics. doi:10.1063/1.3608062]