ରାସାୟନିକ ବିଜ୍ଞାନ ବିଭାଗ
ଜାତୀୟ ବିଜ୍ଞାନ ଶିକ୍ଷା ଏବଂ ଗବେଷଣା ପ୍ରତିଷ୍ଠାନ

रासायनिक विज्ञान विभाग
राष्ट्रीय विज्ञान शिक्षा एवं अनुसंधान संस्थान

SCHOOL OF CHEMICAL SCIENCES
NATIONAL INSTITUTE OF SCIENCE EDUCATION AND RESEARCH

 

PhD Courses

Physical Methods in Chemistry - II

CHE601

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • To learn instrument techniques such as NMR and EPR.
  • To interpret the data obtained from these techniques.
  • To understand various aspects involved in NMR, EPR, ENDOR and Mossbauer.
  • To find out the radical nature of the materials.

Prerequisite:
No Prerequisites

Syllabus:

  1. Nuclear Magnetic Resonance Spectroscopy: Basic principles, Chemical shifts, Spin-spin interactions; Application of 1H and 13C NMR spectroscopy including NOE, COSY, NOESY, and other 2D techniques in the structure determination of bioorganic compounds; Application in conformational analysis. Multinuclear (31P, 19F, 29Si) NMR of various inorganic and organo- metallic compounds. Instrumental aspects; NMR of paramagnetic sample: Contact shifts and pseudo contact shifts, Shift reagents; Pulsed NMR: Modern multiple-pulsed experiments including 2D NMR. [20]
  2. Electron Spin Resonance Spectroscopy (ESR): A brief review of theory; Analysis of ESR spectra of systems in liquid phase; Radicals containing single set; Multiple sets of protons; Triplet ground states: Transition metal ions; Fe, Cu, Mo, Cr, Mn, VO2+ containing systems: g values; Symmetry; The practical interpretation of ESR spectra in solid state and solution states; Multiple electron systems; Triplet ground state, Zerofield splitting, Kramers degeneracy, Spectral line-shapes when D « hν, D ∼hν and D » hν. EPR of photoexcited triplet states. [8]
  3. Double resonance Techniques (ENDOR): ENDOR in liquid solution, ENDOR in powders and non-oriented solids; ENDOR spectra of free-radicals coupled to multiple sets of nuclei with spin; ENDOR of paramagnetic metals and complexes; Biological Applications: Substrate free radical; Flavins and metal free flavin proteins; Photosynthesis; Heme proteins; Iron–Sulfur proteins; Spin labels. [7]
  4. Mossbauer Spectroscopy: Basic physical concepts; Spectral line shape; Isomer shift; Quadrupole splitting, Magnetic hyperfine interaction; Interpretation of Mossbauer parameters of 57Fe, 99Ru, 101Ru, 195Pt, 193Ir, and 110Sn; Some special applications: Solid state reactions; Thermal decomposition, Ligand exchange, Electron transfer, Isomerism, Surface studies and biological applications. [7]

Reference Book

  1. NMR Spectroscopy: Basic principles, Concepts and Applications in Chemistry, H. Gunther, 2nd Edn. John Wiley & Sons,
  2. Spectrometric Identification of Organic Compounds, R. M. Silverstein, G. C. Bassler and T. C. Morrill, John Wiley, New York, 5th Edn.,
  3. Basic 1H and 13C NMR Spectroscopy, M. Balci, Elsevier Science,
  4. Electron paramagnetic Resonance: Elementary Theory and practical applications, J. A. Weil, J. R. Bolton and J. E. Wertz, Wiley Interscience, New York,
  5. Physical Methods in Chemistry, R. S. Drago, 2nd Edn., Saunders,
  6. Mossbauer Spectroscopy: An Introduction for Inorganic Chemists and Geochemists, Mcgraw Hill, UK,
  7. Mossbauer Spectroscopy, N. N. Greenwood and T. C. Gibb, Chapman & Hall,
  8. Electron Spin Resonance: Elementary Theory and Practical Applications, J. E. Wertz and J. R. Bolton, Mcgraw Hill, 1984.

Chemical Rate Processes

CHE602

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Students can learn varieties of chemical reactions and the time scale of those reactions.
  • Describes different spectroscopy and analytical techniques to study chemical kinetics.
  • Introduces enzyme kinetics.
  • It is a useful course for chemistry and biology students to learn about chemical and biological reactions.

Prerequisite:
No Prerequisites

Syllabus:

  1. Kinetic Measurements: General features of fast reactions; Study of fast reactions by flow techniques, Relaxation methods (T-Jump, P-Jump, ultrasonic, pulse radiolysis, NMR); Flash photolysis; Salt and solvent effects on reactions in solutions. [6]
  2. Chain Reactions: Features of chain reactions; Thermal and photochemical reactions (hydrogen–bromine reaction, decomposition of aldehydes and ketones). [6]
  3. Kinetics of oscillatory reactions: Introduction to oscillatory reactions; Belousov- Zhabotinsky and Field-Koros-Noyes models. [4]
  4. Rate Theory: Concept of potential energy surfaces, Transition state theory including its statistical mechanical treatment, Phenomenological theories of unimolecular reactions (Lindemann, Hinshelwood), Statistical mechanical theories of unimolecular reactions (RRKM). [10]
  5. Chemical Dynamics: Collision theory and Reaction Dynamics, Reaction Cross section and rate constant, Brief idea of Molecular Beam Scattering, Dynamics in condensed phase. [10]
  6. Femtochemistry: Concepts and perspectives; Applications to studies of dynamics and control of chemical reactions. [6]

Reference Book

  1. Physical Chemistry, I. Levine, Tata Mcgraw Hill, 5th Edn.,
  2. Physical Chemistry: A Molecular approach, D. a. McQuarrie and J. D. Simon, University Science Books,
  3. Chemical Kinetics and Dynamics, J. I. Steinfeld, J. S. Francisco and W. L. Hase, Prentice Hall,
  4. Chemical Dynamics in Condensed Phases: Relaxation, Transfer and Reactions in Condensed Molecular Systems, A. Nitzan, Oxford Univ. Press,
  5. [REF] Basic Chemical Kinetics, H. Eyring, S. H. Lin and S. M. Lin, John Wiley & Sons, New York,
  6. [REF] The World of Physical Chemistry, K. J. Laidler, Oxford University press, 1993.

Coordination Chemistry

CHE604

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Importance of Crystal Field Theory and Molecular Orbital Theory with various inorganic complexes.
  • Learn the concept of magnetism and also to know about single molecular magnet
  • Understanding the inner and outer sphere reaction mechanisms.
  • Role of metal ions in bioinorganic chemistry
  • Understand the basic concepts of supramolecular chemistry

Prerequisite:
No Prerequisites

Syllabus:

  1. Theories of bonding: CFT including Jahn–Teller Effects of ligand field, Spectrochemical series, Enthalpies of hydration, Spinel structures. Shortcomings of CFT. MO theory of coordination complexes. Electronic Spectra of complexes including Orgel diagrams and Tanabe Sugano diagrams. [10]
  2. Magnetism: Introduction to Magnetism. Origin of diamagnetism. Paramagnetism: Van Vleck formula and its approximated forms, Curie law. Magnetic susceptibility, Orbital quenching and spin-only moment; Magnetic exchange interactions in coordination compounds: Ferrimagnetism and Antiferromagnetism; Bulk magnetic properties and ferromagnetism; Molecule-based magnetic materials: Organic magnets and single molecule magnets. [10]
  3. Mechanisms of reactions of transition metal complexes: Substitution (Kinetic effects: labile vs inert) and electron-transfer reactions (Outer-sphere, Self-exchange; Inner-sphere). [7]
  4. Bioinorganic Chemistry: Basic principles (why specific metal ions are present in certain proteins/enzymes): Heme proteins, types, structure and function (including mechanism of function): Hemoglobin, myoglobin, Cytochrome C, Cytochrome p450, Catalases, peroxidases. non-Heme proteins: Hemerythrin, Ribonucleotide reductase, Methanol monooxygenase (a) Iron-Sulfur proteins: Rubredoxin, Ferredoxin; (b) DNA / RNA: Ribozymes. [10]
  5. Transition metal based supramolecular structures: Ligand design and applications. [5]

Reference Book

  1. Advanced inorganic Chemistry, F. A. Cotton, C. A. Murillo, and M. Bochmann, Wiley Interscience,
  2. Inorganic Chemistry, D. F. Shriver and P. W. Atkins, Oxford University Press,
  3. Supramolecular Chemistry: Concepts and Perspectives, J. M. Lehn, VCH,
  4. Principles of Bioinorganic Chemistry, S. J. Lippard and J. M. Berg, Panima Publications, New Delhi,
  5. Bioinorganic Chemistry; Inorganic Elements in the Chemistry of Life. Kaim, B. Schwederski Wiley,
  6. Biological Inorganic Chemistry: Structure and Reactivity Harry B. Gray, E. I. Stiefel, J. S. Valentine, I. Bertini University Science Book;
  7. Reaction Mechanism of Inorganic and Organometallic Systems, R. B. Jordan, 2nd Edn., Oxford University press,
  8. [REF] Bioinorganic Chemistry, A. K. Das, Allied Books, Kolkata,
  9. [REF] Molecular Symmetry and Group Theory: A programmed Introduction to Chemical Applications, A. Vincent, John Wiley,
  10. [REF] Mechanism of Inorganic Reactions, F. Basolo and R. G. Pearson, 2nd Edn. Wiley,
  11. [REF] Inorganic Reaction Mechanisms, M. L. Tobe and J. Burgess, 1st Edn., Wesley Longmans Ltd.
  12. [REF] Inorganic Chemistry- Principles of Structure and Reactivity, J. E. Huheey, E. A. Keiter, R. L. Keiter and O. Medhi, Pearson Education, 2007.

Chemical Binding

CHE605

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Understand the quantum mechanics of molecules
  • Construct molecular orbitals for polyatomic molecules
  • Apply symmetry and molecular orbital theory to derive molecular terms
  • Understand the Hartree-Fock (HF) theory, DFT, and semi-empirical methods

Prerequisite:
No Prerequisites

Syllabus:

  1. Introduction: Review of basic principles of quantum mechanics, Atomic structure, Variation and perturbation methods. [6]
  2. Electronic structure of diatomic molecules: Born–Oppenheimer approximation, H2+ ion, Molecular orbitals of ground state and excited states of H2+ (LCAO-MO), Homo and heteronuclear diatomic molecules, Electronic term symbols, Valence Bond Theory of diatomic molecules, Comparison of VB and MO theories. Term symbols for diatomic molecules. [11]
  3. Self-consistent Field methods: Hartree–Fock theory of atoms and molecules, Post-Hartree–Fock theories, Configuration interaction wave functions. [6]
  4. Electronic structure of polyatomic molecules: SCF-MO treatment of closed shell systems and applications to molecules (H2O, NH3, CH4); Potential energy surface and equilibrium geometry, Molecular vibrational frequencies. Brief introduction to density functional theory. [9]
  5. Virial theorem and chemical bonding. The Hellman–Feynman theorem. [4]
  6. Semi-empirical and molecular mechanics treatment of molecules, Huckel molecular orbital theory for conjugated organic molecules and its applications to Ethylene, Butadiene, Benzene; Delocalization energy and stability. [6]

Reference Book

  1. Modern Quantum Chemistry: Introduction to Advanced Electronic Structure, A. Szabo and N. S. Ostlund, Dover,
  2. Molecular Quantum Mechanics, P. W. Atkins and R. S. Friedman, Oxford University Press, 3rd Edn.,
  3. Quantum Chemistry, I. N. Levine, 5th Edn., Pearson Education, 2000.

Physical Methods in Chemistry - I

CHE606

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • o Understand the basics of absorption and fluorescence spectroscopy. o Theoretical prediction of absorption maximum of some organic molecules. o Identifying and distinguishing various types of electronic transition using solvent perturbation techniques. o Understanding the concept of micro polarity and the importance of this parameter in spectroscopy. o Understanding some important photo-processes such as electron transfer and energy transfer and their applications in energy related applications. o Applications of fluorescence spectroscopy in detecting various analytes (Sensing applications).

Prerequisite:
No Prerequisites

Syllabus:

  1. General Introduction to Spectroscopy: Electromagnetic radiation and its interaction with atoms and molecules. Holistic view of spectroscopy. [2]
  2. Ultraviolet Spectroscopy: Electronic Transition; Definitions of related terms and designation of UV–absorption band; Studies of conjugated and extended conjugated systems; Woodward–Fieser rules; Analytical use of UV–spectroscopy. [8]
  3. Infrared and Raman Spectroscopy: Molecular Vibrations, Instrumentation of IR and Raman spectroscopic techniques; Interpretation of Infrared and Raman spectra, Identification of functional groups, Hydrogen bonding, Complexity of IR spectra, Utility of IR spectroscopy in structural elucidation. Raman spectroscopy in material science; SERS. [8]
  4. Fluorescence Spectroscopy: Phenomena of fluorescence; Photochemical laws; General characteristics; Quantum yield and its measurements; Radiation less transitions; Spin states and their interconversion; Kasha's rule and solvent effect; Spin orbit coupling; Energy transfer processes; Donor acceptor complexes, Excimers and Exiplexes. Fluorescence quenching (static and dynamic); Stern Volmer analysis; Timescale of molecular processes in solution. Steady-state and time resolved fluorescence. Fluorescence anisotropy; Biochemical fluorophores; New fluorescence technologies: Multiphoton Excitation, Fluorescence correlation Spectroscopy, Single molecule detection. [12]
  5. Photoelectron Spectroscopy: Experimental methods, Ionisation processes and Koopmans theorem; Photoelectron spectra and their interpretation and applications. [6]
  6. Mass Spectrometry: Basic concepts; Instrumentation, Fragmentation and rearrangements (including McLafferty rearrangement) of different classes of organic molecules; Isotope effects. [6]

Reference Book

  1. Modern Spectroscopy J. M. Hollas. Wiley,
  2. Physical Methods in Chemistry, R. S. Drago, 2nd Edn., Saunders,
  3. Essentials of Photochemistry, A. Gilbert and J. Baggot, Blackwell Scientific Publications,
  4. Fundamentals of Photochemistry, K. K. Rohatgi Mukherjee, Wiley Eastern Ltd.,
  5. Molecular Fluorescence, Bernard Valeur, Wiley-VCH,
  6. Principles of Molecular Photochemistry: An Introduction, P. Walsh, N. J. Turro, V. Ramamurthy, J. C. Scaiano, University Science Books,
  7. Principles of Fluorescence Spectroscopy. Joseph R. Lakowicz, 3rd Edn., Springer,
  8. Interpretation of Mass Spectra, F. W. McLafferty,
  9. Spectrometric Identification of Organic Compounds, R. M. Silverstein, G. C. Bassler and T. C. Morrill, John Wiley, New York, 5th Ed., 1991.

Solid State Chemistry

CHE652

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Describe the principles concerning solid state structures
  • Describe specific crystal structures by applying basic crystallographic concepts
  • Describe the experimental use of the diffraction phenomenon
  • Use powder diffraction data for characterising cubic substances
  • Analyse thermograms and phase diagrams in known systems

Prerequisite:
No Prerequisites

Syllabus:

  1. Crystal Chemistry: a brief introduction to crystallography, Lattices, unit cells, symmetry, point groups, space groups. packing: CCp, HCp, voids, radius ratio rules. Bonding in crystals: ionic, covalent, metallic, van der Waals, hydrogen bonds. Description of crystal structures: metallic & non metallic structures, AB, AB2, AB3 (ReO3), spinels, pyrochlores, perovskites, K2NiF4 etc. Pauling's rules for ionic crystal structures and the concept of bond valence. Methods of crystallography: powder, single crystals, X-ray, neutron and electron diffraction. [7]
  2. Defects in Solids: Origin of defects in crystals; perfect and imperfect crystals; thermodynamics of defect formation; types of defects: point defects, line defects, plane defects; Schottky and Frenkel defects; thermodynamics of Schottky and Frenkel defect formation; crystal classifications; Madelung constant and lattice energy. [7]
  3. Electronic Structure of Solids: Atoms to molecules to crystals; Orbitals to bonds to bands; Electronic structure of crystalline solids, Elementary band theory: Metals, Insulators and Semi-conductors., Solid state ionics; Intrinsic and Extrinsic semiconductors. Transport property measurement techniques: Electrical resistivity, Thermopower, Hall effect Magnetism of d vs. f block metal compounds. [8]
  4. Critical Phenomena: Phase transitions (Order-disorder, Martensite-austenite, Spinodal decompositions); Liquid crystals; Structure–property relations (magnetic, electrical, superconductivity, optical and thermal); Powder synthesis by conventional and modern chemical methods; Reactivity of solids; Decomposition mechanisms; Powder processing (sintering and diffusion processes), Tailoring of solids, Special methods for single crystal growth and thin film depositions. [10]
  5. Synthesis of Solids: Chemistry behind synthesis; Intercalations; Synthesis/preparation of single crystals; Hydrothermal methods. Framework Solids; Zeolites, Aluminophosphates and related structures; Metal-organic framework compounds – their structures and properties. [6]
  6. Superconductivity: Superconductivity: General aspects of superconductivity; Effects of magnetic field; BCS Theory; Oxide Superconductors. [4]

Reference Book

  1. Solid State Chemistry and Its Applications, A. R. West, John Wiley,
  2. Solid State Chemistry, L. Smart and E. Moore, Chapman and Hall,
  3. Principles of the Solid State, H. V. Keer, Wiley Eastern Ltd.,
  4. New Directions in Solid State Chemistry, C. N. R. Rao and J. Gopalakrishnan, Cambridge University Press,
  5. The Electronic Structure and Chemistry of Solids, P. A. Cox, Oxford University Press,
  6. Ionic crystal, Lattice defect and Non-stoichiometry, N. N. Greenwood, Chemical Pub. Co., New York,
  7. An Introduction to Crystal Chemistry, R. C. Evans, Cambridge University Press, 1964.

Classics in Molecules

CHE653

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • To learn the discovery of organic molecules and their impact on the world, such as Urea, Glucose, & Penicillin.
  • To understand the introductory organic chemistry for learning chemical biology.
  • To learn about the small organic molecules that interact with molecular targets.
  • To find the nature of drugs and their function in biological changes.

Prerequisite:
No Prerequisites

Syllabus:

  1. Introduction, Understanding structural diagrams of organic molecules, Protein and Three-dimensional protein Structure, Nucleic acids, Synthesis, Biosynthesis. [7]
  2. Urea & acetic acid, glucose, aspirin, Camphor, Terpineol, Tropinone, Haemin, Quinine, Morphine, Steroids & the pill, Strychnine, penicillin, Longifolene, prostaglandins & Leukotrienes, Vitamin B12, Erythronolide B & Erythromycin a, Monensin, Avermectin, Amphotericin B, Ginkgolide B, [10]
  3. Cyclosporin, FK506 & Rapamycin, Calicheamicin γ1, Palytoxin, Taxol, Mevacor, Zaragozic acids & Cp Molecules, Brevetoxin B, Ecteinascidin 743, Epothilones, Resiniferatoxin, Vancomycin, Thiostrepton. [6]
  4. Modern Drug Discovery and Developments, Designed Small Drug Molecules for Mental illness, Viral infections, gastrointestinal Disorders, Heart diseases and Sexual Dysfunction. [12]
  5. DNA Technologies, Vaccines, antibodies, Diabetes, anemia, Rheumatoid arthritis, Breast Cancer, Biologics. [7]

Reference Book

  1. K. C. Nicolaou and Tamsyn Montagnon, “Molecules that Changed the World”, Wiley-VCH,
  2. E. J. Corey, László Kürti and Barbara Czak´o, “Molecules and Medicine”, Wiley-VCH,
  3. J. Block and J. M. Beale “Wilson and Gisvold’s Textbook of Organic Medicinal and Pharmaceutical Chemistry”, 11th Edn., Lippincott Williams & Wilkins, 2003.

Crystallography

CHE654

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Define concepts such as lattice, point and space groups
  • Be familiar with Bragg’s Law and explain its relation to crystal structure
  • Identify and describe different diffraction methods
  • Interpret and assign X-ray and electron diffraction patterns
  • Use crystallographic data for a validated phase analysis

Prerequisite:
No Prerequisites

Syllabus:

  1. Origin of X-rays, Filters, Monochromators, Sealed tube, Rotating anode synchrotron radiation, Safety considerations. [4]
  2. Crystals and their properties- Concepts of symmetry, Direct and reciprocal lattice, Planes, Indices, Unit cell, Bragg's law in direct and reciprocal lattices, Primitive and non-primitive lattices, Point and space groups, Equivalent positions, Systematic absences and space group determination, Occupancy factors. [14]
  3. Theory of structure factors, Argand diagram and its use, Lorentz and polarization corrections, Absorption corrections, Absolute scale of intensities; Unit cell determination, Data collection parameters, Data reduction, Phase problem and structure solution by Patterson and direct methods. [14]
  4. Structure refinement techniques, Presentation and interpretation of structural data, Examination of CIF file and critical evaluation of a structure, Errors and pitfalls, Twinning and disorder, Renninger effect, Extinctions, Anomalous scattering and its use. [10]

Reference Book

  1. X-Ray Structure Determination: A Practical Guide, G. H. Stout and L. H. Jensen, Springer,
  2. Fundamentals of Crystallography, C. Giacavazzo, Oxford University Press.
  3. X-Ray Analysis and the Structure of Organic Molecules, Jack. D. Dunitz, Wiley,
  4. Crystal Structure Determination, Werner Massa, Springer.
  5. Structural Inorganic Chemistry, A. F. Wells, Clarendon Press, 1986.

Principles of Drug Action

CHE655

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • To learn pharmacokinetics and pharmacology
  • To understand absorption, distribution, metabolism, and excretion of drugs
  • To learn various stages of drug discovery process such as clinical trials
  • To find the modern drug discovery and development processes including the identification of molecular targets, High-throughput screening (HTS)

Prerequisite:
No Prerequisites

Syllabus:

  1. Pharmacodynamic Phase in Drug Action: Introduction to pharmacodynamics, Biochemical basis of drug action, Drug absorption, distribution and bioavailability, Passive diffusion, Active transport mechanisms, Excretion and reabsorption of drugs. [6]
  2. Pharmacokinetic Phase in Drug Action: General classification of pharmacokinetic properties, Pharmacokinetic models, Intravascular administration, Extravascular administration, Estimation of pharmacokinetic parameters, The use of pharmacokinetics in drug design. [7]
  3. Novel Therapeutic agents: Synaptic Pharmacology: Cholinergic and adrenergic systems, CnS agents: Antipsychotics, Antidepressants, CVS Agents: Antihypertensives, Antineoplastic agents, Analgesic and anti-inflammatory agents, Drug toxicity. [10]
  4. Concepts in Drug Metabolism: Basic principles and factors affecting drug metabolism, Secondary pharmacological implications of metabolism, Phase i metabolic reactions, Phase ii metabolic reactions, Drug metabolism and drug design, Prodrugs, Metabolic pathways for common drugs. [7]
  5. Stability of Drugs and Medicines: Oxidation and stability of free-radicals, Prevention of oxidative deterioration, Autoxidation of fats and oils, Examples of drugs susceptible to aging and hydrolysis, Other mechanisms of degradation. [6]
  6. Drug Development: Clinical trials (phase-i to phase-iv), Formulation development, Quality control aspects (methods of assay). [6]

Reference Book

  1. Thomas G. (2003) Fundamentals of Medicinal Chemistry, Wiley.
  2. Cairns D. (2008) Essentials of Pharmaceutical Chemistry (3rd Edn.), Pharmaceutical Press.
  3. Block J. and Beale J. M. (2003) Wilson and Gisvold’s Textbook of Organic Medicinal and Pharmaceutical Chemistry (11th Edn.), Lippincott Williams & Wilkins.
  4. Rang H. P., Dale M. M. et al. (2007) Rang & Dale’s pharmacology (6th Edn.), Churchill Livingstone.
  5. Hardman J. G., Limbird L. E. et al. (2001) Goodman & Gilman’s. The pharmacological Basis of Therapeutics, Mcgraw-Hill Professional.

Advanced Bio-inorganic Chemistry

CHE656

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Apply the basic principles in inorganic and general chemistry to interdisciplinary topics in the field of bio-inorganic chemistry.
  • Describe the main roles of metal ions in biological processes and identify the chemical properties that are required for particular functions.
  • Describe the role of metal ions in enzymes involved in acid-base reactions.
  • Describe the role of metal ions that are involved in electron-transfer reactions in biological systems.
  • Describe how oxygen is transported in different species and identify the metal centers involved in this task.
  • Describe the different metal-activation sites in enzymes that are involved in the activation of oxygen.
  • Identify the main toxicological mechanisms of metals and the biological defenses against the toxic effects.
  • List some medical applications of inorganic compounds.
  • Oral and written communication using the specific language of bioinorganic chemistry.

Prerequisite:
No Prerequisites

Syllabus:

  1. Principles of bioinorganic Chemistry (Justification of why a certain protein/enzyme contains a particular metal ion). [3]
  2. Heme Proteins: Types, function and mechanisms, Myoglobin, Hemoglobin, Cytochrome C, Cytochrome-P450, Peroxidases (Horseradish peroxidase, Chloroperoxidase), Catalase, Cytochrome C Oxidase, Synthetic porphyrins of biological relevance. [5]
  3. Iron–Sulfur Proteins: Types, function and mechanisms, Rubredoxin, Ferredoxins, Aconitase. [3]
  4. Non-Heme Proteins: Types, function and mechanisms, Mononuclear Systems (Catechol-1,2-Dioxygenases, Transferrin, Ferritin, Superoxide Dismutase, Isopenicillin N Synthase) Dinuclear Systems (Hemerythrin, Ribonucleotide Reductase, Methane Monooxygenase, Purple acid phosphatases). [5]
  5. Copper Proteins (Type i, ii, and iii): Types, function and mechanisms, Blue Copper proteins; Hemocyanin, Tyrosinase, Catechol Oxidase; Superoxide Dismutase; ascorbate Oxidase, Laccase; galactose oxidase [4]
  6. Molybdenum Enzymes: Types, function and mechanisms, Oxo-Transfer Enzymes, Xanthine Oxidase, Nitrogenase. [4]
  7. Manganese: Photosynthesis (Photosystem I and Photosystem II); function and mechanisms. [4]
  8. Zinc Enzymes: Function and mechanisms, Hydrolytic Enzymes (Carbonic anhydrase; Carboxypeptidase A; Alkaline phosphatase). [4]
  9. DNA/RNA: Types, function and mechanisms, DNA nicking enzymes; DNA polymerase; Ribozymes. [5]
  10. Environmental & Medicinal Aspects: Acid-rain; Green-house Effect etc. Radiopharmaceuticals; Photodynamic Therapy; Anti-Tumor Drugs (cis-platin, Carboplatins; Bleomycins); Ion-pumps. [5]

Reference Book

  1. Principles of Bioinorganic Chemistry; S. J. Lippard and J. M. Berg, Panima Publications, New Delhi,
  2. Bioinorganic Chemistry; Inorganic Elements in the Chemistry of Life; W. Kaim, B. Schwederski Wiley,
  3. Biological Inorganic Chemistry: Structure and Reactivity; Harry B. Gray, Edward I. Stiefel, Joan Selverstone Valentine, Ivano Bertini, University Science Book;
  4. Specific Review Articles to be collected from the Internet.

Nuclear Magnetic Resonance

CHE657

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Theoretical understanding of the basic working principle of NMR spectroscopy.
  • Building in-depth knowledge of the routinely performed experimental steps.
  • Analysis of pulse sequence of few key one- and two-dimensional experiments to understand how certain spectra are generated.
  • Understanding the theory behind common problems encountered during routine operation of an NMR spectrometer.

Prerequisite:
No Prerequisites

Syllabus:

  1. Classical NMR Spectroscopy: Nuclear magnetism, Bloch equations, Chemical shift, Linewidth, Scalar coupling. [4]
  2. Theoretical description of NMR spectroscopy: Expectation value of magnetic moment, Density matrix, Pulses and rotation operator, Chemical shift and coupling Hamiltonians, Concept of coherence, One pulse experiment. [5]
  3. Product Operator Formalism: Operator spaces, Basis operators, Free precision, Pulses, Single and multiple quantum coherences, Application of pOF to study spin echo and standard polarization transfer protocols like in EpT. [6]
  4. Practical Aspects of NMR Spectroscopy: Tuning, Matching, Shimming, Temperature calibration, Spectrum referencing, Sampling theorem, Quadrature detection, Fourier transformation, Zero filling, apodization, Phasing, Signal to noise ratio, Spin decoupling, Pulse field gradients, Water suppression, One dimensional experiment. [14]
  5. Two-dimensional NMR Experiments: Two-dimensional spectroscopy, Coherence transfer, COSY, double quantum filtered COSY, TOCSY, NOESY, HSQC, HMQC, Sensitivity enhanced HSQC. [10]
  6. Higher-dimensional NMR Experiments: need for higher dimensional experiments, HNCA, HN(CO)CA, introduction to the new trend of fast multidimensional experiments: GFT, spatially spatial encoding. [3]

Reference Book

  1. Protein NMR Spectroscopy, 2nd Edn., John Cavanagh, W. J. Fairbrother, A. G. Palmer.
  2. M. Ranceand N. J. Skelton, Elsevier Academic Press,
  3. Spin dynamics 2nd Edn., Malcolm H. Levitt, John Wiley and Sons Ltd., 2008.

Advanced Functional Materials

CHE658

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Introduction to materials in modern technology
  • Learn about semiconductor and dielectric materials
  • Exploring the role of magnetic materials in interdisciplinary sciences
  • Use of polymer materials and nanocomposites in chemistry and day-to-day life

Prerequisite:
No Prerequisites

Syllabus:

  1. Introduction to Materials in Modern Technology: Materials as an enabling element of technological progress; Functions that materials perform; The properties - structure - processing connection. [2]
  2. Semiconductor Materials: Intrinsic semiconductors, Band Structure of Semi- conductors, Impurity Semiconductors, ii-v and ii-vi compounds, Hall effect, SC devices. Charge carrier dynamics in semiconductor nanomaterials. [10]
  3. Dielectric Materials: Dielectric constant and polarizability, Insulating materials, Ferroelectrics, piezoelectrics, Measurement of Dielectric properties, Applications. [5]
  4. Nanosized Magnetic Materials: Basic concepts of magnetism; Types of magnetic behavior, Magnetic domains, Soft and hard magnets, Classification of magnetic nanomaterials, Ferrofluids, Single-domain particles, Physical Properties of Magnetic nanostructures, Nano magnetism for biological applications. [5]
  5. Polymer Materials and Nano-composites: Classification of Polymers, Structure–Property Correlation, Molecular weights, Conduction in polymers, Natural composites, Incorporation of nanomaterials into polymer Media, Organic polymer nanocomposites, Metal and Ceramic composites, Clay nanocomposite Materials, Polymer–Clay nanocomposites, Polymer/graphite nanocomposites, Polymer Composites with Carbon nanotubes. [10]
  6. Amorphous and Crystalline Porous Materials: Crystalline vs. Amorphous Solids, Glass Formation, Structural models of amorphous materials, Properties of meta glasses, Evolution and Development of porous materials, Chemistry of microporous materials, Mesoporous materials, Semiconductor nanoparticles in Zeolites, Polymers and carbon materials in Zeolites. [10]

Reference Book

  1. Fundamentals of nanotechnology, Gabor L. Hornyak, John J. Moore, Harry F. Tibbals, Joydeep Dutta, CRC Press, Taylor & Francis Group,
  2. Optical Properties and Spectroscopy of Nanomaterials, Jin Z. Zhang, World Scientific Publishing Co. Pte. Ltd,
  3. Science of Engineering Materials and Carbon nanotubes, C. M. Srivastava, C. Srinivasan, New Age International Publishers.
  4. Optimization of Polymer Nanocomposite Properties, Edited by Vikas Mittal, WILEY-VCH Verlag gmbH &Co. KGaA, Weinheim,
  5. Polymer Nanocomposites Handbook; Rakesh K. Gupta, Elliot Kennel, Kwang-Jea Kim, CRC Press, Taylor & Francis Group, 2008.

Supramolecular Chemistry

CHE659

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Learn various noncovalent interactions
  • Design the synthesis of novel macrocycles
  • Understand the stabilization of anions, cations and neutral substrates
  • To evaluate the binding and stability constants

Prerequisite:
No Prerequisites

Syllabus:

  1. Introduction: Understanding of Supramolecular Chemistry (Multidisciplinary nature, Complementarities in biology); Selectivity; Supramolecular interactions; Chelate and Macrocyclic Effects; Characterizing Supramolecular Systems; Structural, Kinetic and Thermodynamic. [6]
  2. Molecular Self-assembly: Non-Covalent Interactions: Electrostatic, Hydrogen Bonding, π−π Stacking, Dispersion and Induction Forces, Hydrophobic or Solvophobic Effects, π-Electron Donor–Acceptor Systems, Catenanes and Rotaxanes, Transition Metal Directed assemblies; Molecular Macrocycles and Boxes: Locked and Unlocked Molecular Boxes, Ladders and grids, Cages; Hydrogen Bond Directed assemblies: Rosettes and Ribbons, peptide nanotubes; Self-Replicating Molecular Systems. [12]
  3. Synthesis of Macrocycles: High Dilution Technique; Coordination Template Effects; Cation Binding and Demetallation; Porphyrins; Corrins; Crown Ethers; Cryptands; Spherands; Sepulchrates; Siderophores; Calixarenes. [4]
  4. Molecular Sensors of Ions and Molecules: Anions, Cations and Neutral molecules receptor design principles: Recognition by electrostatic and hydrogen bonding, Lewis acidic Hosts interactions etc.; Introduction to fluorescence probing techniques and applications: Fluorescent molecular sensors of ions and Molecules, Logic gate etc.; Expanded porphyrins, Amide functionalized metallo compounds, Cyclophanes, Electrostatics and hydrophobicity, Hydrogen bond receptors, Chiral recognition; Hydrophobic effect: Recognition in water; Solvent effect; Cyclodextrins; Calixarenes; Metallo receptor for nucleic acid and bases; Boronic acid receptors for Sugars. [20]

Reference Book

  1. D. J. Cram and J. M. Cram, Container Molecules and their Guest, Monographs in Supramolecular Chemistry, Ed. J. F. Stoddart, The Royal Society of Chemistry, Cambridge,
  2. J. M. Lehn, Supramolecular Chemistry: Concepts and Perspectives, VCH, Weinheim,
  3. Comprehensive Supramolecular Chemistry, Edn. J. L. Atwood, J. E. D. Davies, D. D. Macnicol, F. Vogtle, Volumes 2 and 3, Elsevier Science, Oxford,
  4. Supramolecular Chemistry of Anions, Edn. A. Bianchi, K. Bowman-James, E. Garcia- Espana, John Wiley and Sons, New York,
  5. Supramolecular Chemistry, P. D. Beer, P. A. Gale and D. K. Smith, Oxford University Press,
  6. A Practical Guide to Supramolecular Chemistry, Peter J. Cragg, John Wiley & Sons Ltd, England, 2005.

Chemistry of Nanomaterials

CHE660

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Key concepts of Bottom-up and Top-down approaches
  • Understanding the mechanism of formation of 0-D, 1-D, 2-D, 3-D Nanostructured materials
  • Understanding the structure–property relationship of carbon nanomaterials and self-assembled monolayers
  • Use of nanomaterials in energy and biological applications

Prerequisite:
No Prerequisites

Syllabus:

  1. Introduction: Nano and nature, Fascination and Motivation of nanoparticle research, Bottom-up and Top-down approaches. [3]
  2. Zero and One-Dimensional Nanostructures: introduction, aqueous and non- aqueous sol-gel chemistry, Surfactant-assisted synthesis, Solvent-controlled nanoparticles assembly: Introduction, Oriented attachment and Mesocrystals, Superlattices, Core-Shell nanoparticles: introduction, Types of systems, Characterization, properties. [10]
  3. Carbon Nanomaterials: Fullerenes and their derivatives, Carbon nanotubes: Structure and properties, nanocrystalline diamond. [8]
  4. Self-assembled Monolayers: Introduction, Monolayers on gold, Growth process, Phase transitions, Patterning monolayers, Mixed monolayers structure, Electrochemistry and applications of self-assembled monolayers of thiols. [4]
  5. Nano and Micro-emulsion: Surface active agents, Micellization, Mechanism of emulsion, Characterization of Microemulsion. [7]
  6. Application of Nanomaterials: Solar energy conversion, Molecular and nano-electronics, Nanocatalyis, Biological applications and other applications. [10]

Reference Book

  1. Nanoparticles: Synthesis, Stabilization, Passivation, and Functionalization, Edited by R. Nagarajan, T. Alan Hatton, ACS Symposium Series
  2. Metal Oxide Nanoparticles in Organic Solvents, Markus Niederberger and Nicola Pinna, Springer-Verlag London Limited,
  3. Fundamental of Nanotechnology, Gabor L. Hornyak, John J. Moore, Harry F. Tibbals, Joydeep Dutta, CRC Press, Taylor & Francis Group,
  4. Carbon Nanomaterials, Advanced Materials Series, Edited by Yury Gogotsi, Taylor and Francis Group, LLC,
  5. Carbon Nanotubes and Related Structures, Edited by Dirk M. Guldi and Nazario Martin, WILEY– VCH Verlag GmbH & Co. KGaA, Weinheim,
  6. Nano: The Essential, Understanding Nanoscience and Nanotechnology, T. Pradeep, Tata Mcgraw–Hill publishing Company Limited.
  7. Applied Surfactants, Thrwat F. Tadros, WiLEY-VCH Verlag gmbH & Co. KGaA, Weinheim, 2006.

Advanced Bio-organic Chemistry

CHE661

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Introduction of Biomacromolecules, and Enzymology
  • Synthesis and application of DNA, RNA and related analogues
  • Understanding of biosynthesis of natural products
  • Understanding the role biomacromolecules in therapy

Prerequisite:
No Prerequisites

Syllabus:

  1. Enzymology: Mechanistic studies of enzymatic reactions. Studies of enzyme kinetics for substrate/inhibitors (reversible/irreversible) and their future aspects in drug design. The role of cofactors and hormones in enzymatic reactions. Enzymes as Catalysts in organic chemistry reaction (group Transfer Reactions, Reduction and Oxidation; Monooxygenation; Dioxygenation Substitutions, Addition/Elimination; Carboxylations; Decarboxylation; isomerizations; aldol and Claisen Reactions; and Retro-reactions; Formylations, Hydroxy methylations, and Methylations; rearrangements. [12]
  2. Application of Enzyme Kinetics: Substrate Kinetics; Kinetics of Enzyme inhibition; Substrate inhibition; Non-productive Binding; Competing Substrates; Multi-substrate Systems; Allosterism and Cooperativity. [6]
  3. Biosynthesis of Secondary Metabolites: Polyketide Biosynthesis; Saccharide Biosynthesis; Shikimate pathway (pDF); Shikimate pathway Flavonoids; alkaloid Biosynthesis; Alkaloid Biosynthesis: Tyrosine Derivatives; Terpene Biosynthesis with example-Taxol, Vancomycin, Penicillin and other recent discovered natural products; Design and synthesis of modified secondary metabolites analogues; Isotope labeling (radioactive/non-radioactive) and their application in biosynthetic pathways. [12]
  4. Non-natural Bio-active Molecules: Synthesis and importance of these amino acids (β, γ & δ), non-ribosomal peptides and nucleotides (PNA, LNA, TNA & other stable analogues). [5]
  5. Introduction of Vital Bio-macromolecule Secondary Structures: g-Quadruplex, i-motif, RNAi (mi-RNA & si-RNA) & Collagen and their application in therapeutics. [5]

Reference Book

  1. Organic Chemistry of Enzyme-Catalyzed Reactions, Revised Edition by Richard Silverman, Academic Press,
  2. Structure and Mechanism in Protein Science: A Guide to Enzyme Catalysis and Protein Folding Byalan Fersht, Publisher: W. H. Freeman;
  3. Evaluation of Enzyme Inhibitors in Drug Discovery: A Guide for Medicinal Chemists and Pharmacologists (Methods of Biochemical Analysis); by Robert A. Copeland, Publisher: Wiley- interscience;
  4. Dewick, Paul M. Medicinal Natural Products: A Biosynthetic Approach. 2nd Edn.. New York, NY: John Wiley & Sons,
  5. Structural Diversity of g-Quadruplex Scaffolds; Stephen Neidle and Shankar Balasubramanian, CRC Press,
  6. Gene Silencing by RNA Interference: Technology and Application, by Muhammad Sohail (Editor), CRC Press,
  7. Modified Nucleosides: in Biochemistry, Biotechnology and Medicine (ed P. Herdewijn), Wiley-VCH Verlag GmbH &Co. KGaA, Weinheim, Germany.
  8. Natural products: The Secondary Metabolites, James R. Hanson, RSC, 2003.

Molecular Reaction Dynamics

CHE663

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Apply transition state theory and RRKM theory to compute rate constants
  • Understand the theory of classical and quantum scattering phenomena
  • Learn, how to follow the dynamics of chemical reactions experimentally and theoretically

Prerequisite:
No Prerequisites

Syllabus:

  1. Introduction: The rate constant - History and current view. What are molecular reaction dynamics? [2]
  2. Theoretical methods i: Transition State Theory (TST), RRKM Theory. [5]
  3. Theoretical Methods ii: Rate and cross-section, Classical scattering theory, Quantum scattering theory (reactive and non-reactive), Connection to TST and RRKM. [12]
  4. Experimental methods: Newton’s diagrams, Molecular Beams, State-resolved spectroscopic techniques, Imaging techniques. [8]
  5. Applications: Photoselective chemistry - photodissociation and photoisomerization dynamics, Dynamics in real time (ps, fs and attosecond regimes), Molecular energy transfer, Control of chemical reactions, Condensed phase dynamics, Dynamics of gas-surface reactions. [15]

Reference Book

  1. R. D. Levine, Molecular Reaction Dynamics, Cambridge University Press, NY
  2. J. Steinfield, J. S. Francisco and W. L. Hase, Chemical Kinetics and Dynamics, Prentice Hall Inc., NJ, 1999.

Theory of Molecular Spectroscopy

CHE664

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Separate the molecular motion into translations, rotations, and vibrations components
  • Transform between internal and normal mode coordinates
  • Understand the rovibronic spectroscopy of molecules
  • Understand multiphoton processes and their application in modern spectroscopy

Prerequisite:
No Prerequisites

Syllabus:

  1. Recap: Introduction and review of basic quantum mechanics, Molecular symmetry. [3]
  2. Rovibronic Hamiltonian - Coordinates and Momenta: Euler angles, Axis systems, Rotational and vibrational angular momentum, Normal and internal coordinates, the g matrix, the gF matrix. [8]
  3. Rovibronic Wavefunctions: Classification of rotational, Vibrational, Rotation-Vibration, and electronic wave functions, Hund’s cases. [7]
  4. Energy Levels and Interaction: Rotation-vibration interactions, Vibronic and rovibronic interactions, Renner-Teller and Jahn-Teller effect, Rydberg states, Spin effects. [8]
  5. Transition intensities and optical selection rules, Electric – magnetic dipole electric quadrupole transitions, Multiphoton processes and Raman effect. [8]
  6. Advanced topics: Spectroscopy at high energies, Intramolecular vibrational energy redistribution (IVR), Wave-packet approach to spectroscopy. [8]

Reference Book

  1. P. R. Bunker and P. Jensen, Molecular Symmetry and Spectroscopy, NRC Research Press, Ottawa.
  2. J. D. Graybeal, Molecular Spectroscopy, Mcgraw-Hill.
  3. P. F. Bernath, Spectra of Atoms and Molecules, Oxford University press, NY,
  4. E. B. Wilson, J. C. Decius and P. C. Cross, Molecular Vibrations: The Theory of Infrared and Raman Vibrational Spectra, Dover, NY, 1955.

Advanced Organic Chemistry

CHE665

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Understanding of important organic transformations with advanced mechanisms
  • Learning the recent advances in organic chemistry
  • Enhanced ability to connect the learned topics with current research problem and envisage new research projects

Prerequisite:
No Prerequisites

Syllabus:

  1. Review of basic bonding concepts; Conformational analysis; Stereochemistry; Kinetics and Thermodynamics of Organic Reactions; Reaction Mechanisms and Conformational Effects on Reactivity; Oxidation Reactions; Reductions Reactions; Enolate Chemistry; Metalation Reactions; Key Ring Forming Reactions; Olefin Synthesis; Conjugate Additions; Synthetic analysis and Design; Total Synthesis of natural products; Asymmetric Synthesis; Combinatorial Chemistry. [42]

Reference Book

  1. E. V. Anslyn, D. A. Dougherty, “Modern Physical Organic Chemistry” California University Science Books,
  2. E. L. Eliel, S. H. Wilen, “Stereochemistry of Organic Compounds” Wiley-interscience,
  3. R. Bruckner, “Organic Mechanisms: Reactions, Stereochemistry and Synthesis” Springer,
  4. F. A. Carey, R. J. Sundberg, “Advanced Organic Chemistry Parts A & B: Structure and Mechanisms” 5th Edn., Springer,
  5. B. Smith, J. March “Advanced Organic Chemistry” 6th Edn., Wiley-VCH,
  6. E. J. Corey, X.-M. Cheng, “The Logic of Chemical Synthesis” Wiley-interscience,
  7. T. Hudlicky, J. W. Reed, “The Way of Synthesis: Evolution of Design and Methods for Natural Products” Wiley-VCH,
  8. P. Wyatt, S. Warren, “Organic Synthesis: Strategy and Control” Wiley,
  9. Christmann, S, Brase Eds “Asymmetric Synthesis- The Essentials” 2nd Edn., Wiley-VCH,
  10. K. C. Nicolaou, R. Hanko, W. Hartwig Eds. ”Handbook of Combinatorial Chemistry”, VCH-Wiley, Weinheim, 2002.

Advanced Main Group Chemistry

CHE667

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Understanding the structure and bonding aspects of metal-metal single or multiple bond of main group elements
  • Soluble main group metal hydrides: Synthesis and their reactivity studies
  • Group 13 and Group 14 low valent metallacycles: synthesis and reactivity studies
  • Application of main group compounds in homogeneous catalysis

Prerequisite:
No Prerequisites

Syllabus:

  1. (a) Direct Bonds Between Metal Atoms: Mg and Ca compounds with metal-metal bonds (b) Multiple bonded group 13, 14 and 15 elements: Synthesis, reactivity and bonding. [12]
  2. NHC stabilized low oxidation state main group metal complexes. [4]
  3. Low Oxidation State Main Group Metal Hydrides: Synthesis and reactivity. [4]
  4. NHCs Analogues with Low Valent Group 13 and 14 Elements: Synthesis, structure and reactivity studies; (a) Boron (i), Aluminium (i), Gallium (i), Indium (i) and Thallium (i) Heterocycles; (b) Silicon (ii), Germanium (ii), Tin (ii), and Lead (ii) Heterocycles. [8]
  5. Role of main group compounds in catalysis, organic synthesis and medicinal chemistry [8]
  6. Inorganic New Materials: Nanomaterials, Polymers and chemical sensors [6]

Reference Book

  1. Inorganic Chemistry-Principles of Structure and Reactivity. 4th Edn. Huheey, J. E.; Keiter, E. A.; and Keiter, R. L. Harper-Collins, NY,
  2. Concepts and Models of Inorganic Chemistry. 3rd Edn. Douglas, B.; McDaniel, D.; and Alexander, J. John Wiley, New York.
  3. Chemistry of the Elements. 2nd Edn. Greenwood, N. N.; and Earnshaw, A. Pergamon, Oxford,
  4. Organometallics: A Concise Introduction, C. Elschenbroich and a. Salzer, 3rd Edn.
  5. Inorganic and Organometallic Polymers. Chandrasekhar, V. Springer-Verlag, Heidelberg, 2005

Advanced Fluorescence Spectroscopy

CHE668

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Describes basic principles and application of fluorescence spectroscopy
  • To learn, how fluorescence spectroscopy is used for frequency and time domain studies of important chemical process
  • To learn to use fluorescence spectroscopy in biomolecules
  • It also introduces fluorescence imaging

Prerequisite:
No Prerequisites

Syllabus:

  1. Phenomena of Fluorescence and Instrumentation for Fluorescence Spectroscopy: Introduction, Jablonski Diagram, Characteristics of Fluorescence Emission, Fluorescence Lifetimes and Quantum Yields, Spectrofluorometers, Light Sources, Monochromators, Optical Filters, Photomultiplier Tubes, Polarizers. [5]
  2. Fluorophores: Intrinsic or Natural Fluorophores; Fluorescence Enzyme Cofactors, Extrinsic Fluorophores; Protein-Labeling Reagents, Membrane probes, Red and near-infrared (NIR) Dyes, DNA probes, Chemical sensing probes, Viscosity probes, Green fluorescent proteins, Long-lifetime probes, Quantum dots. [4]
  3. Life-Time measurements: Time-Domain and Frequency-Domain Measurements, Time-Correlated Single-photon Counting, Principle and instrumentation, Alternative Methods for Time-Resolved Measurements; Streak Cameras, Up conversion Methods, Data analysis. [6]
  4. Some important Photo-processes: Dynamics of Solvent and Spectral Relaxation: Measurement of Time-Resolved Emission Spectra (TRES), Theory for Time-Dependent Solvent Relaxation, Fluorescence Quenching: Theory, Fractional Accessibility to Quenchers, Applications of Quenching to Proteins; Fluorescence Anisotropy: Origin of the Definitions of Polarization and Anisotropy, Measurement of Fluorescence anisotropies, Causes of Depolarization, Biochemical Applications. Energy Transfer: Theory of Energy Transfer for a Donor acceptor pair, Distance Measurements Using Resonance Energy Transfer (RET), Biochemical applications of RET. [12]
  5. Multiphoton Excitation: Introduction to Multiphoton Excitation, Two-photon Absorption Spectra, Cross Section for Multi-photon Absorption. [3]
  6. Single-molecule Detection (SmD): Detectability of Single Molecules, Instrumentation for SMD, Single-Molecule photophysics, Biochemical applications of SMD. [3]
  7. Fluorescence Correlation Spectroscopy (FCS): Principles of Fluorescence Correlation Spectroscopy, Theory of FCS, Examples of FCS Experiments. [3]
  8. Fluorescence-Lifetime imaging microscopy (FLim): Early Methods for Fluorescence-Lifetime imaging, Laser Scanning TCSpC FLiM, Lifetime imaging of Cellular Biomolecules. [3]
  9. Radiative Decay engineering: Introduction to Radiative Decay Engineering, Review of Metal Effects on Fluorescence Surface Plasmon-Coupled Emission (SPCE), Applications of Metal-Enhanced Fluorescence, Application of SPCE. [3]

Reference Book

  1. Principles of Fluorescence Spectroscopy, Joseph R. Lakowicz, 3rd Edn., Springer,
  2. Advanced Time-correlated Single Photon Counting Techniques, W. Becker, Springer,
  3. Molecular Fluorescence Principles and Applications, B. Valeur, WILEY-VCH,
  4. Single-Molecule Detection in Solution. Methods and Applications, C. Zander, R. A. Keller, and J. Enderlein, WILEY- VCH, 2001.

Biomacromolecules

CHE669

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Basic understanding of biomolecules with respect to their structure
  • Structure and function relation of biologically important molecules
  • In-depth understanding of various biological processes such as DNA replication, protein synthesis

Prerequisite:
No Prerequisites

Syllabus:

  1. Buffers (their use in study of biomolecules), pH, pKa of amino acids, D and L amino acid nomenclature. [1]
  2. Biophysical techniques to purify and study proteins: Dialysis, Salting out and precipitation by organic solvents, Ion exchange, Gel filtration, Reversed phase, Affinity chromatography, Ultracentrifugation, Gel electrophoresis. [3]
  3. Proteins: Protein sequencing by chemical and mass & NMR spectroscopic methods, Use of spectroscopic tools in studying biomolecules. Primary (single letter amino acid codes), Ramachandran plot, Secondary structures like helices, parallel- and antiparallel-sheets, Circular Dichroism of secondary structures, Tertiary (motifs and domains: some important motifs like Rossman fold, helix turn helix, 4 helix bundles, beta barrel), Quaternary structure (Haemoglobin and Myoglobin) and Enzymes. [21]
  4. Nucleic acids: A, B and Z-DNA structures, Method of replication, Sequencing of nucleic acids (Chemical, dideoxy and fluorescence), Transcription, Translation, Genetic code, Genomes, Genes, overexpression of recombinant proteins, Mutagenesis (random and site directed); Polymerase Chain Reaction (PCR). [9]
  5. Carbohydrates and glycoproteins, Proteoglycans, Membranes and lipids, Bacterial cell wall synthesis and mechanism of some important antibiotics like Penicillin, Antibiotic resistance. [4]
  6. Metabolism: Photosynthesis, Calvins cycle, Glycolysis, Krebs cycle, Electron transport, Cofactors. [4]

Reference Book

  1. Voet, D; Voet, J. G; Pratt, C. W., Fundamentals of Biochemistry: Life at the Molecular Level, 2nd Edn.,2006
  2. Berg J. M, Tymoczko J. L. and Stryer L., Biochemistry, 6th Edn.,
  3. Creighton, T. E., Proteins: Structure and Molecular Properties, 2nd Edn.,
  4. Lewin B., Genes IX, 2008
  5. Branden C and Tooze J., Introduction to Protein Structure, 2nd Edn.,
  6. Fersht A., Structure and Mechanism in Protein Science: A Guide to Enzyme Catalysis and Protein Folding, 1999.

Advanced Heterocyclic Chemistry

CHE670

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • Introduction of Heterocyclic Chemistry: Nomenclature, spectral characteristics, reactivity and aromaticity of heterocycles (three- and four-membered)
  • Synthesis and reactivity of five-membered rings, benzo-fused six-membered rings with one, two and three heteroatoms, seven and large membered
  • Recent methods of C−H functionalization/activations of heterocyclic derivatives
  • Beneficial to synthesized therapeutic drugs

Prerequisite:
No Prerequisites

Syllabus:

  1. Heterocyclic Chemistry; Introduction to heterocycles: Nomenclature, Spectral characteristics, Reactivity and Aromaticity. [2]
  2. Synthesis and reactivity of three and four membered heterocycles e.g., Aziridine, Azirine, Azetidine, Oxiranes, Thiarines, Oxetenes and Thietanes. [4]
  3. Synthesis and reactivity of five membered rings with two heteroatoms: Pyrazole, Imidazole, Oxazole, Thiazole, Isothiazole and Benzofused analogs; Benzo-fused five membered heterocycles with one heteroatom, e.g., Indole, Benzofuran, Benzothiophene. [8]
  4. Synthesis and reactivity of benzofused six membered rings with one, two and three heteroatoms: Benzopyrans, Quinolines, Isoquinoline, Quinoxazaline, Acridine, Phenoxazine, Phenothiazine, Benzotriazine, Pteridines. [8]
  5. Synthesis and reactivity of seven and large membered heterocycles: Azepines, Oxepines, Thiepines; Spiro-heterocycles; Bicyclic compounds containing one or more heteroatoms [4]
  6. Recent methods of C-H functionalization/activations of heterocyclic derivatives. [16]

Reference Book

  1. Carey, F. A. & Sundberg, R. J. Advanced Organic Chemistry, Partsa & B., Plenum: U.S., 2004
  2. Thomas. L. Gilchrist, Heterocyclic Chemistry, (3rd Edn.),
  3. Joules, J.A; Mills, K.; Smith, G.F. Heterocyclic Chemistry, 3rd Edn.
  4. Advances in Heterocyclic Chemistry, Book Series Elsevier Edited by Alan Katritzky.
  5. Branden C and Tooze J., Introduction to Protein Structure, 2nd Edn., 1999.

Research Methodology & Research Publication Ethics

CHE700

Course: PG-Elective

Approval: 42 Lectures + 14 Tutorials

Credit: 4

Outcome:

  • To learn good research practices and ethics.
  • To learn report writing and presentation.

Prerequisite:
No Prerequisites

Syllabus:

  1. Introduction: Knowledge, Theory, Paradigms, Perspectives, What is “scientific method”? Underlying assumptions of science and scientific explanation [2] Making sense of Theories: Understanding theoretical frameworks, Critical thinking, theory building and testing[1] Literature Review: Identifying sources and conducting bibliographic searches. Identifying possible research problems, developing research questions, progressing from area of interest to research topic Ways of reading a text Identifying gaps in literatures Writing literature review- formats Making arguments and spotting fallacies, Analyzing research questions. [5] Research Design (Dept./School specific inputs): Various facets of theoretical, analytical, experimental and evidence based research[3] Data Analysis and data interpretation: Tools and techniques of data analysis/interpretation, use of applicable packages[2] Good Research Practices (General and Dept/School specific inputs) [10]
    • Conduct of research (execution, documentation, checks and honest reporting)
    • Scientific norms and conventions in collaborative research, authorships, ownership and intellectual property
    • Dissemination (choice of forums, mediums, conferences and publications)
    • Responsibilities, Governance and Conflict of Interests
    • Safety Issues (context specific inputs as applicable) – Environmental and Radiation/LASER safety protocols, Occupational, health, radiation, chemical, fire and environmental safety at work place
    • Ethical values – Scientific integrity, truthfulness and accountability, recognizing uncertainty and sources of error. Research misconduct, fabrication of data and plagiarism. Bio-safety and ethics, Human and Animal ethics
    Report Writing: Methods of writing/publishing scientific work – overview. Components of a good scientific report – the writing lexicon. Improving writing skills through critical summary writing. Various formats followed by research journals. [15] Presentation: The diverse formats of ‘science presentation’. Effective presentation of research. Publicizing and outreach[4]

Reference Book

  1. Patwardhan B., Desai A., Chourasia A, Nag S., Bhatnagar R.
  2. Guidance Document: Good Academic Research Practices. New Delhi: University Grants Commission.
  3. Cook, Claire Kehrwald. (1986) Line by Line: How to Edit Your Own Writing. Miffin Company, Houghton
  4. Mertens, D. M., & Ginsberg, P. E. (2009). The handbook of social research ethics, Thousand Oaks, CA, SAGE Publications, Inc., doi: 10.4135/9781483348971
  5. Research Methodology (The Aims, Practices and Ethics of Science) by Peter Pruzan
  6. P. Corbetta, Social Research - Theory, Methods and Techniques, 2003, London: Sage
  7. Writing Scientific Research Articles: Strategy and Steps by Margaret Cargill, Patrick O'Connor
  8. Effective Science Communication, A practical guide to surviving as a scientist by Sam Illingworth and Grant Allen
  9. Beins, B.C. (2004). Research methods: A tool for life. Boston: Allyn & Bacon