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M. Sc. Final PAPER IV (b)- BIOINORGANIC CHEMISTRY 1. Metalloenzymes Zinc enzymes - carboxypeptidase, carbonic anhydrase; Copper enzymes - superoxide dismutase; Mobybdenum - xanthine oxidase; Coenzyme vitamin B 12 . 2. Bioenergetics and ATP cycle Glucose storage, metal complexes in transmission of energy, chlorophylls, Photosystem I and photosystem II in cleavage of water. 3. Transport and Storage of Dioxygen Heme proteins and oxygen uptake, Structure and function of hemoglobin, myoglobin, hemocyanins and hemerythrin, model synthetic complexes of iron. 4. Electron Transfer in Biology Structure and function of metalloproteins in electron transport process - cytochromes and iron - sulphur proteins, synthetic models. 5. Nitrogenase Biological nitrogen fixation, molybdenum nitrogenase, other nitrogenase model systems. 6. Metal Storage, Transport and Biomineralization Ferritin, transferrin and siderophores 7. Metals in Medicine BOOKS : Metal deficiency and diseases, toxic effects of metals, metals used for diagnosis and chemotherapy with particular reference to anticancer drugs. 1. Bioinorganic Chemistry. R. N. Hay. Wiley. 1984. 2. The Inorganic Chemistry of Biological Processes. M. M. Hughes. Wiley 1981. 3. An Introduction to bioinorganic Chemistry. El Ichiro ochai. Allyn. 1977. 4. Inorganic Chemistry : Principles of structure and reactivity. J.E. Huheey Harper. 1983. 5. Advanced inorganic Chemistry. F.A. Cotton and G. Wilkinson. Wiley. 1999.
1. Symmetry Properties and Quantum Mechanics: M. Sc. Final Paper IV(C) : Quantum Chemistry Invariability of SchrÖdinger equation for a molecule with respect to symmetry operations and its consequences, construction of molecular orbitals of ammonia and –molecular orbitals of naphthalene, The direct product representation and its application in the derivation of selection rules for electronic, vibrational and Raman spectra. 2. Huckel Molecular Orbital Theory and its Applications: Calculation of -energy levels and delocalisation energy of butadiene, cyclic conjugated polyolefins - cyclopropenyl, cyclobutadiene, cyclopentadienyl, benzene, tropylium radical and cyclooctatetraene, concept of armomaticity and antiaromaticity, Huckel treatment of linear polyenes. 3. Molecular Orbital Theory of Inorganic Compounds : 4. Semi–Empirical and Ab–Initio SCF Theories : -bonding in AB n molecules : The tetrahedral AB 4 and octahedral AB 6 cases, -bonding in AB n molecules : The tetrahedral AB 4 and octahedral AB 6 cases. Hartee-Fock Self consistent field (SCF) method, Semi–empirical SCF theory (CNDO,INDO & MNDO), Slater and Gaussian type orbitals, use of Gaussian orbitals in non–empirical methods with special reference to Gaussian Software of Pople et.al. 5. Introduction to density functional theory : Concept of basic sets, exchange-correlation energy and Kohn-Sham orbitals, Local Density Approximation (LDA) and Generalized Gradient Approximation (GGA), Significance of Density Functional Theory. 6. Quantum Mechanical Treatment of Weak Molecular Interactions : Charge transfer, hydrogen bond, van der waal’s forces. Books 1. Chemical Application of Group Theory – F.A. Cotton 2. Introductory Quantum Chemistry – A.K. Chandra 3. An Introduction to Quantum Mechanics of Chemical Systems – R.P. Rastogi and V.K. Srivastava 4. Physical Chemistry – P.W. Atkins 5. Valence Theory – J.N. Murrell, S.F.A. Kettle and J.M. Teddor 6. Quantum Chemistry by Ira N. Levine Prentice Hall of India New Delhi 1995. 7. Coulson’s volume by R. McWeeny ELBS 1978.
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