Wavelet domain non-linear filtering for MRI denoising

Feature-preserved denoising is of great interest in medical image processing. This article presents a wavelet-based bilateral filtering scheme for noise reduction in magnetic resonance images. Undecimated wavelet transform is employed to provide effective representation of the noisy coefficients. Bilateral filtering of the approximate coefficients improves the denoising efficiency and effectively preserves the edge features. Denoising is done in the square magnitude domain, where the noise tends to be signal independent and is additive. The proposed method has been adapted specifically to Rician noise. The visual and the diagnostic quality of the denoised image is well preserved. The quantitative and the qualitative measures used as the quality metrics demonstrate the ability of the proposed method for noise suppression.     

Role of aspartic acid in collagen structure and stability: A molecular dynamics investigation

A molecular dynamics (MD) simulation study has been carried out to understand the stability of the triple helical collagen models. The calculations show that the presence of the aspartic acid residue in different positions leads to the local variation in the structure. Analyses of root-mean-square deviation (RMSD), radial distribution function (RDF), puckering effect, dihedral angle variation, hydrogen bond (H-bond), and conformational changes during molecular dynamics simulation reveal that the local perturbation in the sequences, increase in chain flexibility due to removal of five membered rings in the collagen by aspartic acid, change of intermolecular H-bonding pattern, and differences in the association of water are mainly influencing the nature of stabilization of collagen by aspartic acid.     

The canonical Lagrangian approach to three-space general relativity

We study the action for the three-space formalism of general relativity, better known as the Barbour–Foster–Ó Murchadha action, which is a square-root Baierlein–Sharp–Wheeler action. In particular, we explore the (pre)symplectic structure by pulling it back via a Legendre map to the tangent bundle of the configuration space of this action. With it we attain the canonical Lagrangian vector field which generates the gauge transformations (3-diffeomorphisms) and the true physical evolution of the system. This vector field encapsulates all the dynamics of the system. We also discuss briefly the observables and perennials for this theory. We then present a symplectic reduction of the constrained phase space.     

Optical behaviour of swift heavy ions irradiated poly(vinyl alcohol) films

Polyvinyl alcohol films were irradiated to 90 MeV O ⁶⁺ and 150 MeV Si ¹⁴⁺ ions at fluence ranging from 10¹⁰ to 10¹² ions/cm². The observed changes in optical energy gap of this polymer have been investigated and results are tried to be explained in terms of energy transferred by the incident ions. It has been noticed that the value of optical energy gap decreases with increasing energy loss during the ion–polymer interaction process.     

Charge transport in polythiophene:fullerene:nanotube bulk heterojunction photovoltaic devices investigated by impedance spectroscopy

P3HT:PCBM bulk heterojunction devices incorporating SWNTs, which are predominantly metallic in character, have been analyzed using impedance spectroscopy to understand the effect of SWNTs on their charge carrier transport properties. SWNTs reduce the effective lifetime of injected charge carriers. Frequency dependence of capacitance and conductance of P3HT:PCBM devices show monotonic variations without any clear peak positions. Simulations of the complex admittance of the P3HT:PCBM devices under trap free space charge limited current within the framework of Scher–Montrol theory are used to qualitatively show that such characteristics are a signature of charge transport which is highly dispersive in nature. The position of peak τ_peak in the imaginary part of impedance Im(Z), which is essentially same as the first transition frequency of Cole–Cole plot, has a direct relation with the effective dc mobility of charge carriers which varies with dispersion parameters. Using the dc mobility values and the voltage variation of peak frequency of Im(Z), the ratio of τ_dc to τ_peak has been calculated. The magnitude of this ratio is indicative of the degree of dispersiveness in transport. It has been shown that, SWNTs at low concentrations tend to reduce the dispersiveness in charge transport.     

Circumference, chromatic number and online coloring

Erd?s conjectured that if G is a triangle free graph of chromatic number at least k≥3, then it contains an odd cycle of length at least k ^2?o(1) [13,15]. Nothing better than a linear bound ([3], Problem 5.1.55 in [16]) was so far known. We make progress on this conjecture by showing that G contains an odd cycle of length at least Ω(k log logk). Erd?s’ conjecture is known to hold for graphs with girth at least five. We show that if a graph with girth four is C ₅ free, then Erd?s’ conjecture holds. When the number of vertices is not too large we can prove better bounds on χ. We also give bounds on the chromatic number of graphs with at most r cycles of length 1 mod k, or at most s cycles of length 2 mod k, or no cycles of length 3 mod k. Our techniques essentially consist of using a depth first search tree to decompose the graph into ordered paths, which are then fed to an online coloring algorithm. Using this technique we give simple proofs of some old results, and also obtain several other results. We also obtain a lower bound on the number of colors which an online coloring algorithm needs to use to color triangle free graphs.     

Intercepted-Knoevenagel condensation for the synthesis of unsymmetrical fused-tricyclic 4H-pyrans

4H-Pyrans (4H-Pys) and 1,4-dihydropyridines (1,4-DHPs) are important classes of heterocyclic scaffolds in medicinal chemistry. Herein, an indium(III)-catalyzed one-pot domino reaction for the synthesis of highly functionalized 4H-Pys, and a model of 1,4-DHP is reported. This alternative approach to the challenging Hantzsch 4-component reaction enables the synthesis of fused-tricyclic heterocycles, and the mechanistic studies underline the importance of an intercepted-Knoevenagel adduct to achieve higher chemoselectivity towards these types of unsymmetrical heterocycles.     

Magneto-resistance above 300 K in nano-crystalline Co–Ag metastable solid solutions

A series of nano-crystalline Co_xAg_100−x solid solutions have been prepared by NaBH₄ reduction of the corresponding metal salts at room temperature in Ar gas flow. Alloys heat-treated at 600 °C in Ar/H₂ (5%) show the evolution of metastable fcc Co precipitates in Ag. Magnetic studies indicate that all the compositions are ferromagnetic with Curie temperatures >400 K. For a nominal composition of Co₆₀Ag₄₀, heat-treated at 600 °C, an effective negative magneto-resistance (MR) ratio of the order of ∼21% at 350 K, at 2 T is observed. This could arise from the influence of magnetic field on the electron–phonon scattering effects near to T_c and to the spin-mixing scattering by magnons.     

Cu (II) and Co (II/III) complexes of N,O‐chelated Schiff base ligands: DNA interaction,protein binding,cytotoxicity, cell death mechanism and reactive oxygen species generation studies

A series of copper (II) ( 1 and 3 ) and cobalt (II/III) ( 2 , 4 and 5 ) complexes comprising different imino‐phenolate ligands DCH , DTH and DBH ₂ (where DCH = 2,4‐dichloro‐6‐((mesitylimino)methyl)phenol, DTH = 2,4‐di‐tert‐butyl‐6‐((mesitylimino)methyl) phenol and DBH ₂ = 2,4‐dibromo‐6‐((mesitylimino)methyl)phenol) have been prepared with excellent yield and high purity. By utilizing different spectroscopic tools such as UV–visible, electrospray ionization (ESI)‐mass, Fourier‐transform infrared (FTIR) spectrometry and elemental analysis, the prepared complexes ( 1 – 5 ) were thoroughly characterized. The molecular structure of the synthesized complexes was ascertained by using single‐crystal X‐ray diffraction studies (SCXRDs). The experiment reveals that Complexes 1 – 5 bind to calf thymus DNA (CT‐DNA) through non‐intercalative way with good interacting abilities. However, 1 – 5 are excellent quenchers of the fluorescence intensity of bovine serum albumin (BSA) following the static pathway. Additionally, they had shown remarkable cytotoxic potential against MCF‐7 (mammary gland adenocarcinoma) and A549 (lung adenocarcinoma) cell lines. The IC₅₀ values associated with these complexes were much lower than the conventional drug cisplatin. Apoptosis‐induced cell death was confirmed from the DNA fragmentation studies and Hoechst 33342 staining. The 2′,7′‐dichlorofluorescein diacetate (DCFDA) assay indicates that the complex mediated reactive oxygen species (ROS) generation is accountable for governing the apoptosis mechanism via oxidative cell distress. Apart from these studies, by carrying out density functional theory (DFT) method, highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO–LUMO) energy gap calculations and optimized structures of the synthesized complexes were accomplished.     

Trapping Aluminum Hydroxide Clusters with Trisilanols during Speciation in Aluminum(III)–Water Systems: Reproducible,Large Scale Access to Molecular Aluminate Models

To gain molecular level insights into the properties of certain functions and units of extended oxides/hydroxides, suitable molecular model compounds are needed. As an attractive route to access such compounds the trapping of early intermediates during the hydrolysis of suitable precursor compounds with the aid of stabilizing ligands is conceivable, which was tested for the aluminum(III)/water system. Indeed, trisilanols proved suitable trapping reagents: their presence during the hydrolysis of AlⁱBu₂H in dependence on the amount of water used allowed for the isolation of tri‐ and octanuclear aluminum hydroxide cluster complexes [Al₃(μ₂‐OH)₃(THF)₃(PhSi(OSiPh₂O)₃)₂] ( 1 ) and [Al₈(μ₃‐OH)₂(μ₂‐OH)₁₀(THF)₃(p‐anisylSi(OSiPh₂O)₃)₄] ( 2 ). 1 can be regarded as the Al(OH)₃ cyclic trimer, where six protons have been replaced by silyl residues. While 2 features a unique [Al₈(μ₃‐OH)₂(μ₂‐OH)₁₀]¹²⁺ core. In contrast to most other known aggregates of this type, 1 and 2 can be readily prepared at reasonable scales, dissolve in common solvents, and retain an intact framework even in the presence of excessive amounts of water. This finding paves the way to future research addressing the reactivity of the individual functional groups.