<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Waghmode, Shobha A.</style></author><author><style face="normal" font="default" size="100%">Date, Sadgopal K.</style></author><author><style face="normal" font="default" size="100%">Gupta, Vidya S.</style></author><author><style face="normal" font="default" size="100%">Rane, Sandhya Y.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Structure-function mimicry of oxidized purple acid phosphatase-PAP(ox)-A new functional model</style></title><secondary-title><style face="normal" font="default" size="100%">Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical &amp; Analytical Chemistry</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Antiferromagnetic exchange</style></keyword><keyword><style  face="normal" font="default" size="100%">Bioinorganic chemistry</style></keyword><keyword><style  face="normal" font="default" size="100%">DNA cleavage</style></keyword><keyword><style  face="normal" font="default" size="100%">iron</style></keyword><keyword><style  face="normal" font="default" size="100%">Nuclease activity</style></keyword><keyword><style  face="normal" font="default" size="100%">PAP(ox) analogues</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2010</style></year><pub-dates><date><style  face="normal" font="default" size="100%">AUG</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">8</style></number><publisher><style face="normal" font="default" size="100%">NATL INST SCIENCE COMMUNICATION-NISCAIR</style></publisher><pub-location><style face="normal" font="default" size="100%">DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA</style></pub-location><volume><style face="normal" font="default" size="100%">49</style></volume><pages><style face="normal" font="default" size="100%">1023-1029</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;{Electronic structure and spectroscopic properties of the novel diiron active site of oxidized mammalian purple acid phosphatase analogues, Fe-6: [Fe-2 (mu-O) (mu-OAc) (4HNSQ(ox))(2 center dot-)(ONSQ(ox))(2 center dot-)(H2O)(4)] and Fe-7: [Fe-2 (mu-O) (mu-OAc)(ONSQ(ox))(2 center dot-)(OAc) (H2O)(4)] are described. Magnetic susceptibility SQUID data of Fe-6 are best fitted to Heisenberg's isotropic spin pair (S = 5/2, 3/2) model using magnetic parameters g = 2 and J = - 36.8 cm(-1) with R factor = 6.4 x 10(-4). The antiferromagnetic exchange establishes Fe(III)-O-Fe(III) dimeric core with Fe(III) site having two radical ligations in the naphthosemiquinone oxime form of lawsone oxime. In the model compound Fe-7 of oxidized purple acid phosphatase, bridged and terminal acetate functions are identified according to their different energies of activations, i.e, similar to 34 and 58 kJ mol(-1) respectively. Also, the reduced naphthoquinone oxime form of ligand is characterized by its energy of activation (similar to 15 kJ mol(-1)) from pyrolytic reaction. Mossbauer parameters&lt;/p&gt;</style></abstract><issue><style face="normal" font="default" size="100%">8</style></issue><custom3><style face="normal" font="default" size="100%">Indian</style></custom3><custom4><style face="normal" font="default" size="100%">0.920</style></custom4></record></records></xml>