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The mechanism of all elementary steps involved in the catalytic cycle of benzoylformate decarboxylase (BFD, E.C. 4.1.1.7) to generate the acyloin linkage is investigated by extensive molecular dynamics simulations. Models involving different charge states of amino acids and/or mutants of critical residues were constructed to understand the involvement of the catalytically active residues and the reactivity...
We have synthesized BaFe 12 O 19 samples by ammonium nitrate melt technique (ANMT) at temperatures from 850 to 1200°C. Calcinations at 850–1000°C yield single domain grains having reasonably high coercive fields up to 4500Oe. Higher temperature calcinations decrease the coercive fields due to multi-domain grain growth. Washing the samples in HCl is effective to reduce the impurities,...
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