Targeting the menaquinol binding loop of mycobacterial cytochrome bd oxidase

Molecular Diversity - Mycobacteria have shown enormous resilience to survive and persist by remodeling and altering metabolic requirements. Under stringent conditions or exposure to drugs,...     

Synthesis,X-ray, 1H-NMR and DFT analysis of the phthalimide–hydrazone probes as selective anion sensor

Two simple phthalimide–hydrazone probes with nitro groups were synthesised and characterised by NMR, FT-IR, HR-MS and single crystal X-ray crystallography. The synthesised receptors were evaluated for application in anion sensing. The receptors displayed strong, sensitive and selective colouration in the presence of cyanide ions by forming a stable complex with cyanide ion. The use of variable nitro groups helped in the elucidation of the mechanism of the complex formation. The ¹H NMR spectroscopy was used to support the mechanism of the complex formation. DFT methods were used to understand the stability of the complex with respect to the reactant. The absorbance data were also compared with the TD-DFT calculated excitation parameters. The experimental results were found to correlate well with the theoretical data.     

Isolation and characterisation of bioactive isoflavonoids from the roots of Dalbergia horrida

The roots of Dalbergia horrida yielded two new isoflavanones, Dalhorridin (I) - 5,5'-dihydroxy-3',4'-methylenedioxy-5'-prenyl-6',6'-dimethyl-dihydropyrano(2',3' : 7,8)-isoflavanone and Dalhorridinin (II) - 5,7,5'-trihydroxy-3',4'-methylenedioxy-8-[5-methyl-2-(2-hydroxyisopropyl)-1,4-hexadienyl]isoflavanone along with two known isoflavones, Dalspinin and Dalspinosin. Preliminary biological screening of the enriched extract revealed that it showed analgesic, anti-inflammatory, CNS depressant and mild anti-bacterial properties.     

On distance dependent entropy measures of poly propylene imine and zinc porphyrin dendrimers

A key paradigm in contemporary research is the use of graphs to represent physical systems, molecular structures, or particularly metal frameworks. Graphs are increasingly widely used in a variety of fields, including the study of quantum and molecular systems, macromolecules and their interactions, socioeconomic and ecological systems, and technical and infra-structural systems. Understanding how these systems function, are robust, and are stable begins with structural characterization. The use of entropies and entropy-like measurements of graphs/structures of molecules/networks is crucial from both a mathematical and physical standpoint. Several entropy measures of graphs have been defined and studied extensively during the last few decades. The current paper is devoted to investigation of distance dependent entropy measures of Poly Propylene Imine (PPI) dendrimers and Zinc Porphyrin dendrimers. The analytical formulae of distance dependent entropy measures have been developed and their patterns have been presented through graphical tools.     

A generalized Cole-Hopf transformation for a two-dimensional burgers equation with a variable coefficient

The direct method is applied to the two dimensional Burgers equation with a variable coefficient (u _t + uu _x ? u _xx ) _x + s(t)u _yy = 0 is transformed into the Riccati equation $H' - \tfrac{1} {2}H^2 + \left( {\tfrac{\rho } {2} - 1} \right)H = 0$ via the ansatz $u\left( {x,y,t} \right) = \tfrac{1} {{\sqrt t }}H(\rho ) + \tfrac{y} {{2\sqrt t }}\rho \left( {x,y,t} \right) = \tfrac{x} {{\sqrt t }} - y$ , provided that s(t) = t ^?3/2. Further, a generalized Cole-Hopf transformations $u\left( {x,y,t} \right) = \tfrac{y} {{2\sqrt t }} - \tfrac{2} {{\sqrt t }}\tfrac{{U_\rho (\rho ,r)}} {{U(\rho ,r)}}$ , $\rho \left( {x,y,t} \right) = \tfrac{x} {{\sqrt t }} - y$ , r(t) = log t is derived to linearize (u _t + uu _x ? u _xx ) _x + t ^?3/2 u _yy to the parabolic equation $U_r = U_{\rho \rho } + \left( {\tfrac{\rho } {2} - 1} \right)U_\rho$ .     

Structural role of polyethylene glycol in the formation of anatase nanocrystalline titania at low temperature

Anatase nanocrystalline TiO₂ thin films were obtained by a sol–gel dip‐coating method, in which the nanocrystallization is effected by a simple hot water treatment of the deposited films at temperatures below 90 °C under atmospheric pressure for 1 h. The dip‐coating sol was prepared by reacting titanium tetra‐n‐butoxide [Ti(OⁿBu)₄] with polyethylene glycol (PEG) in ethanol. Films obtained from a sol that do not contain PEG show no sign of crystallization, demonstrating the importance of PEG in the crystallization process. Raman studies of reaction dynamics show that PEG undergoes a nucleophilic substitution reaction replacing butoxy groups in Ti(OⁿBu)₄. Stoichiometric reactions of Ti(OⁿBu)₄ with PEG in polar and nonpolar solvents were performed, and they yielded different titanium–PEG hybrid polymers, which were isolated and characterized by various spectroscopic techniques such as IR, Raman, solid‐state NMR and MALDI‐TOF‐MS. NMR studies evidenced the location and the way in which PEG is bonded with titanium atoms in the titanium–PEG hybrid polymers. On the basis of these studies, we have proposed structures for these polymers. It is demonstrated that the structure of the obtained polymers plays an important role in the formation of anatase TiO₂ nanoparticles in hot water at temperatures below 90 °C under atmospheric pressure. Copyright © 2009 John Wiley & Sons, Ltd.     

Growth mechanism and photoluminescence property of flower-like ZnO nanostructures synthesized by starch-assisted sonochemical method

Flower-like ZnO nanostructures have been synthesized by starch-assisted sonochemical method and the effect of starch and ultrasound on the formation of ZnO nanostructure has been investigated. It is observed that starch and ultrasonic wave both plays a vital role on the growth of ZnO nanostructure. X-ray diffraction (XRD) pattern indicated that the synthesized flower-like ZnO nanostructures were hexagonal. FTIR spectrum confirms the presence of starch on the surface of flower-like ZnO nanostructure. The photoluminescence spectrum of flower-like ZnO nanostructure consists of band-edge emission at 393 nm as well as emission peaks due to defects. On the basis of structural information provided by X-ray diffraction (XRD) and morphological information by Scanning Electron Microscopy (SEM), a growth mechanism is proposed for formation of flower-like ZnO nanostructures. Differential Scanning Calorimetry (DSC) of starch in liquid medium confirms that gelatinization is a two step process involving two phases.