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Department of Physics
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Department of Botany
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Department of Chemistry
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    ABSTRACT: Fruit ripening associated full length cDNA of a peroxidase from papaya was cloned and heterologously expressed. The expressed peroxidase was activated by in-vitro re-folding in the presence of hemin and calcium. The purified recombinant peroxidase exhibited broad substrate affinity in the order of o-dianisidine>pyrogallol>guaiacol and was found to be a homotetramer of 155kDa with each subunit having a size of 38kDa. The basis of the distinctive preferences for various substrates was investigated through in-silico molecular modeling approaches. Thus, when the modeled papaya peroxidase-heme complex was docked with these substrates, the in-silico binding efficiency was found to be in agreement with those of wet lab results with the involvement of Arg37, Phe40, His41, Pro137, Asn138, His139, His167, and Phe239 as the common interacting residues in all the cases. However, the binding of the different substrates were found to be associated with conformational changes in the peroxidase. Thus, in the case of o-dianisidine (the most efficient substrate), the protein was folded in the most compact fashion when compared to guaiacol (the least efficient substrate). Protein function annotation analyses revealed that the papaya peroxidase may have biological roles in oxidation-reduction processes, stresses, defense responses etc. In order to further validate its role in lignifications, the papaya peroxidase was compared with a lignin biosynthetic peroxidase from Leucaena leucocephala, a tree legume. Thus, based on 3D structure superimposition and docking, both peroxidases exhibited a great extent of similarity suggesting the papaya peroxidase having a role in lignification (defense response) too. The predicted functions of papaya peroxidase in defense response and lignification were further validated experimentally using qRT-PCR analyses and measurement of oxidation of coniferyl alcohol. Copyright © 2014 Elsevier B.V. All rights reserved.
    Gene 11/2014; 555:438-447. DOI:10.1016/j.gene.2014.11.013
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    ABSTRACT: The present study investigates RhxMny clusters for x + y = 2-4; x and y = 1-3 invoking generalized gradient approximation in density functional theory. The ground state structures are obtained with preferred spin-multiplicities and their stabilities are analyzed by calculating binding energies as well as dissociation energies for various fragmentation channels. Magnetic properties of these clusters are discussed by calculating magnetic moments and spin-density surfaces. Various parameters such as partial charges, dipole moments, HOMO-LUMO energies etc. and density of states spectra are used to explore their electronic properties. We find that all RhxMny, clusters are thermodynamically stable and rhombus Rh2Mn2 cluster possesses higher binding energy as compared to other species. The electronic and magnetic properties of RhxMny clusters vary significantly with the variation in the proportion of Rh and/or Mn atoms. The magnetic moments of Rh range between 0.67 mu(B) (in Rh2Mn2) and 1.87 mu(B) (in Rh2Mn) and align opposite to that of Mn atoms in case of Rh2Mn and Rh3Mn.
    Computational and Theoretical Chemistry 11/2014; 1047:1–5. DOI:10.1016/j.comptc.2014.08.008
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    ABSTRACT: Four-fold enhancement in emission in the blue region is observed for the first time from sol–gel deposited calcium doped zinc oxide (Zn1−xCaxO) nanophosphor films having a hexagonal wurtzite structure. A 4.28% increase in the band gap has been obtained by introducing very small concentration (1.47 at%) of Ca dopant. A blue-shift of 55 meV in PL emission in UV region occurs with increase in dopant concentration. Optical transmission, FTIR spectra and surface structure of the films have been studied. Dopant concentration in the films is determined by EDX.
    Materials Science in Semiconductor Processing 10/2014; 26(1):259–266. DOI:10.1016/j.mssp.2014.05.001


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    Lucknow, India
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