2005-2006 Graduate Calendar

Master of Science in Chemistry Go to top of document
Dean Ian D. Brindle Faculty of Mathematics & Science Participating Faculty Professors Ian D. Brindle (Chemistry), J. Stephen Hartman (Chemistry),Tomas Hudlicky (Chemistry), Andrew G. Reynolds (Biological Sciences), Mary Frances Richardson (Chemistry), Stuart M. Rothstein (Chemistry) Associate Professors Jeffrey K. Atkinson (Chemistry), Heather Gordon (Chemistry), Georgii Nikonov (Chemistry), Melanie Pilkington (Chemistry), Art van der Est (Chemistry) Assistant Professor Travis Dudding (Chemistry), Costa Metallinos (Chemistry), Hongbin (Tony) Yan (Chemistry) Adjunct Professor Christopher H. Marvin (National Water Research Institute) Senior Demonstrators Gail Neff, Donna Vukmanic, Paul Zelisko Co-ordinator, Analytical Services T.R.B. Jones Administrative Assistant Chris Skorski 905-688-5550, extension 3406 Mackenzie Chown E206 http://www.brocku.ca/chemistry/graduate/gradstudies.html The department provides facilities for students intending to work toward their master's degree in Chemistry. Faculty members specialize in organic/bio-organic chemistry, analytical chemistry, inorganic chemistry, and physical/theoretical chemistry. The department also supports the master's and doctoral degrees in Biotechnology.  
Admission Requirements Go to top of document
Students will be admissible to the MSc program if they have completed a 4-year Honours undergraduate program in Chemistry or a cognate discipline such as biotechnology or biochemistry, with at least an upper B average. Applicants who do not meet these requirements will be considered for admission to a qualifying year.  
Program Requirements Go to top of document
Candidates with an honours degree or who have completed a qualifying year, require a minimum of one year of full-time study. The program must include CHEM 5F90; three 5(alpha)00 level half credits; one half credit (or one credit) which may be at either the 4(alpha)00 or 5(alpha)00 level; and one seminar on a topic approved by the candidate's Supervisor. Additional credits may be required of candidates with insufficient preparation in their area of research specialization. As part of CHEM 5F90 every MSc candidate must prepare and defend a thesis which demonstrates a capacity for independent work of acceptable scientific calibre. Doctoral Studies Students with MSc degrees in Chemistry with a background in biological applications of chemistry may apply for admission into Brock's PhD program in Biotechnology. Research Fields The following research fields are currently represented, described in detail on our website: http://www.brocku.ca/chemistry/research/interests.html Inorganic chemistry Ligand design and crystal engineering aimed at self-assembly of novel molecule-based materials, including incorporation of large macrocycles as building blocks; molecular magnetism studies involving three-dimensional network architectures self-assembled from cyanide ligands and metallic centres; high spin clusters; the influence of paramagnetic transition metal ions such as Cu2+ and VO2+ on the excited state dynamics of porphyrin-based photosynthesis model systems; high-resolution solid-state nmr studies of inorganic solids including silicon carbide, silicate minerals, and fluorides; mass spectroscopy of organometallic and inorganic compounds, including fast atom bombardment and electrospray methods. Organic chemistry Synthesis of heterocyclic, aromatic and aliphatic systems; enantioselective synthesis and catalysis; new approaches to natural product synthesis; alkaloids; carbohydrates; cycloaddition reactions; chemoenzymatic asymmetric synthesis; biotransformations; chiral synthon production; isotopically labelled compounds; fluorescent molecules and affinity labels, and bioconjugates. Physical and theoretical chemistry Statistical mechanical investigations of biologically-relevant molecules via Monte Carlo and molecular dynamics simulations; molecular modelling for structural analysis and applications of pattern recognition to problems of chemical interest (e.g. quantitative-structure activity relationships (QSAR); comparative molecular field analysis (CoMFA)); solving the Schroedinger Equation by using computer simulation (quantum Monte Carlo) methods; computational tools to explore the structure of proteins; modern time-resolved electron spin resonance (ESR) spectroscopy to study the structure and function of photosynthetic reaction centres and porphyrin-based model systems; theoretical and experimental work on the spin polarization and spin dynamics of coupled triplet-doublet pairs in copper and vanadyl porphyrins; study of reaction mechanisms using theory; rationalization and prediction of stereoselectivity of catalytic asymmetric reactions using computational theory. Analytical chemistry Novel sample introduction systems and strategies for plasma-based atomic spectrometry. Trace and ultra-trace determination of elements in complex matrices. Applications of LC-ESI mass spectrometry in analytical chemistry. Development of analytical methods for pesticides and their degradation compounds. Development of techniques for the determination of natural products in wines and insects. Analytical applications of molecularly imprinted polymers. Gas chromatography/mass spectrometry applied to environmental problems. Facilities Mass Spectrometry Facility: (i) Kratos Concept 1S high resolution, double-focusing, magnetic sector mass spectrometer, with a high speed data acquisition system served by a Sun workstation, equipped with dual polarity EI, CI, FAB, Flow-FAB, PB-MS and infusion probes; (ii)Bruker Esquire HCT LC/MS/MS, fitted with Electrospray ionization. Sample interface is via an Agilent 1100 HPLC system or syringe pump infusion. The data system runs enhanced Chemstation/Bruker hybrid software; (iii) Bruker Autoflex MALDI/TOF/TOF system for large molecule, peptide and protein work, capable of tandem MS/MS for protein sequencing and identification. using Bruker Compass software on a networked PC platform. (iv) Agilent 5890/5790 GC/MSD, used for routine research work, with a PC running Chemstation controlling data acquisition and processing; (v) Perkin-Elmer TurboMass Gold GC/MS/HS for research work involving normal liquid samples or gas/liquid/solid samples using the headspace interface. The system console is also capable of library searches with a current NIST database. Nuclear Magnetic Resonance Facility: (i) Bruker Avance 600 MHz. FTNMR equipped for triple resonance, with broadband (BBO) and inverse gradient (TXI) probes for liquid samples and a CP/MAS broadband probe for solids (VTN). All probes have VT capability and the broadband liquid probe is equipped with automatic tuning and matching.(ii) Bruker Avance 300 MHz. FTNMR equipped with a broadband gradient VT probe with F-19 capability(BBFO). The probe is equipped with automatic tuning and matching. Both NMR systems run using Bruker XWinNMR on networked PC platforms running Windows XP professional. The department has a number of workstations for offline processing and a site licence for NUTS@ processing software on PC and Mac platforms. Spectroscopy: (i) Thermo-Mattson RS-1, equipped with various sampling accessories including normal transmission mode, ATR and DRIFT units. Software acquisition and processing is handled with a PC running WinFirst software. Basic library search facilities are available; (ii) Bomem MB100 FTIR, controlled by a PC/Grams based data acquisition and processing system; (iii) Thermo-Spectronic(ATI/Unicam) UV4 ultraviolet/visible spectrometer, controlled by a PC running Vision-32 acquisition and processing software; (iii) Photon Technology International Fluorescence Spectrometer, interfaced to a PC for acquisition and processing; (iv) Molecular Devices SpectraMax microplate spectrofluorometer for direct plate scans. A PC controls data collection and processing. (v) ESR instrumentation is available in the laboratory of Prof. van der Est. ICP, and ICP/MS spectrometry in the laboratory of Prof. I.D. Brindle. Chromatography: (i) Agilent 6890 research GC system with a Gerstel prep/autosampler, controlled by an extended version of Chemstation running on a PC; (ii) Waters 600 series LC systems running under PC based Millenium software. Polarimeter: Rudolph Autopol III polarimeter for optical rotation measurements. Undergraduate Courses One fourth-year course can be taken for credit by graduate students. The year 4 courses are listed in the undergraduate calendar.  
Course Descriptions Go to top of document
The following, all but one of which are half credit courses, are available in the department. A selection of these, determined in part by students' interests, will be offered each year. Further information about the courses to be offered in any year may be obtained from the Chair of the Department. CHEM 5F90 MSc Research and Thesis Theoretical and/or experimental research. An external examiner will participate in the evaluation of the student's performance in this course. CHEM 5P00 Quantum Chemistry: Theory (also offered as PHYS 5P00) Self-consistent-field (SCF) method; configuration interaction; basis functions; electron correlation; physical properties of atoms, diatomic and polyatomic molecules. CHEM 5P01 Quantum Chemistry: Applications Application of ab initio molecular orbital theories to problems in atomic and molecular structure, to intermolecular forces and to chemical reactivity. CHEM 5P02 Chemistry in Cyberspace The use of the personal computer and workstation as a tool for organic and inorganic chemistry. Topics include the use of the internet as a source of basic information, interactive computation, and software; the use of molecular mechanics/modeling packages; and a comparison of the use of semi-empirical and ab initio computational chemistry packages designed for the experimental chemist to supplement, interpret or predict lab data. The ease of use and accuracy of results of various programs will be explored. CHEM 5P05 Molecular Spectroscopy: Theory Selected topics in advanced molecular spectroscopy, such as rotational-vibrational Hamiltonian, Coriolis coupling, Herzberg- Teller, Renner, Jahn-Teller effects, inversion dynamics, overtone spectra, infrared and Raman intensities, molecular structure and conformation. CHEM 5P06 Molecular Spectroscopy: Applications Design of grating instruments; calibration and operation of Raman, infrared and ultraviolet spectrophotometers; analysis of spectra. CHEM 5P11 Special Topics in Physical Chemistry Topics may include aspects of chemical dynamics, molecular spectroscopy, statistical mechanics and quantum theory. CHEM 5P13 Biophysical Photochemistry (also offered as BTEC 5P13) The principles of light-induced processes such as electron, energy, and signal transfer and their role in biological systems. Marcus theory, Dexter and Foerster mechanisms of energy transfer. The optical and magnetic resonance spectroscopy of excited states. CHEM 5P14 Computational Chemistry: Applications in Biotechnology (also offered as BTEC 5P14) Structure-based drug design; molecular modelling; conformational search techniques; secondary and tertiary protein structure prediction; quantitative structure-activity relationships; bioinformatics. CHEM 5P15 Nuclear Magnetic Resonance (NMR) Spectroscopy Applications of high-resolution NMR spectroscopy to chemical systems. Theory of chemical shifts, coupling constants and relaxation times; instrumentation, including an introduction to pulse and Fourier Transform techniques and two-dimensional NMR; structure determination by NMR; chemical exchange effects. CHEM 5P16 Mass Spectroscopy The theory and practice of modern mass spectroscopy applied to organic, inorganic and organometallic systems; systematic interpretation of organic mass spectra; high resolution mass spectra GC/MS; metastable ions; computerized mass spectrometry. CHEM 5P17 Special Topics in Nuclear Magnetic Resonance (NMR) Spectroscopy Selected topics in advanced NMR spectroscopy, emphasizing recent applications in areas such as two-dimensional NMR spectroscopy and high-resolution NMR of solids. A continuation of CHEM 5P15. Prerequisite: CHEM 5P15. CHEM 5P18 Special Topics in Mass Spectroscopy Selected topics in advanced mass spectrometry emphasizing instrumentation development, ionization techniques and applications. A continuation of CHEM 5P16. Prerequisite: CHEM 5P16. CHEM 5P19 Organic Reaction Mechanisms The critical study of papers of mechanistic and/or synthetic interest in the recent literature drawing attention to the ways in which mechanisms are established and applied as well as to the mechanisms themselves. CHEM 5P20 Special Topics in Organic Chemistry Topics may include organic photochemistry, biotransformation, free radical chemistry, symmetry and stereochemistry and a further study of mechanistic or synthetic organic chemistry. CHEM 5P21 Advanced Organic Synthesis Strategies in the design of organic syntheses; examples from the current literature will be used to illustrate new trends in synthetic methodology and approaches to the synthesis of complex or organic molecules and natural products; new reagents in organic synthesis including an examination of organometallics and enzymes. CHEM 5P22 Special Topics in Chemical Biology (also offered as BTEC 5P22) Focuses on the chemical-biology of select biologically active compounds of current interest in the literature. The occurrence, biosynthesis and biological activity, including structure-activity correlations, will be studied. Strategies toward the chemical synthesis of these important compounds will also be investigated. CHEM 5P23 Stereoselective Syntheses A survey of the methodology and reagents currently used in stereoselective synthetic organic chemistry. Details concerning methods for achieving absolute and relative stereo-control are discussed, including chiral catalysis and asymmetric induction via substrate- and reagent-based strategies. Applications of the methods to the synthesis of chosen molecules in the literature are provided to illustrate aspects of selectivity. CHEM 5P24 Natural Products Chemistry A study of the structural features, synthesis and biosynthesis of natural products selected from the acetogenin, alkaloid, steroid and terpene and other areas. CHEM 5P25 Medicinal Chemistry Structure and activity of biologically active organic compounds.Introduction to pharmacology, pharmacodynamics, and receptor theory as a background for a more detailed study of chemistry of drugs such as enzyme inhibitors and receptor antagonists. Rational drug design, combinatorial libraries, screening, and general routes of metabolism. Prerequisite: CHEM 3P20 and 3P21 or permission of the instructor. CHEM 5P27 Advanced Enzyme and Co-enzyme Mechanisms (also offered as BTEC 5P27) Hydrolytic and other processes catalyzed by enzymes lacking non-protein prosthetic groups; transferase reactions involving biotin, pyridoxal phosphate, thiamine pyrophosphate, folic acid and cobalamin; oxidation mechanisms involving pyridine nucleotides, flavoenzymes, hydroperoxidases and oxygenases. Prerequisite: CHEM 4P27 or permission of the instructor. CHEM 5P31 Special topics in Inorganic Chemistry A directed reading course in advanced inorganic chemistry based on a critical approach to the original literature. Topics are to be arranged between the student and instructor. CHEM 5P33 Chemistry of Organometallic and Co-ordination Compounds A study of main group and transition metal organometallic and co-ordination compounds with emphasis on synthesis, reactivity, structure and biological properties. CHEM 5P41 Special Topics in Analytical Chemistry The course will include topics such as pesticide and residue analysis, advanced chromatographic techniques, chemical analysis applied to environmental and agricultural problems, preconcentration techniques and new analytical techniques. CHEM 5P44 Directed Readings in Chemistry An investigation of a specific area or group of related topics in contemporary chemistry. Candidates for graduate degrees may present one such special topic course. Approval of the departmental graduate studies committee is required prior to registration. CHEM 5P45 Atomic Spectrometry Arcs, sparks, ICP, DCP, AA, will be investigated. Evaluation of advantages and disadvantages of excitation sources and sample introduction techniques. Particular concentration in this course will be the sample and how it is analyzed and some discussion will centre on sample preparation, matrix elimination or minimization. Solid sampling methods such as laser ablation and glow discharge will be reviewed. CHEM 5P67 Biophysical Techniques (also offered as BIOL 5P67 and BTEC 5P67) An advanced seminar/lecture course on experimental techniques in biochemistry. The focus is on understanding the theory, applications and limitations of a variety of techniques students will encounter during their graduate studies. Techniques will range from advanced spectroscopy (absorption, fluorescence, NMR, X-ray diffraction) to molecular biochemistry (DNA and protein sequencing, gel electrophoresis, radioisotope labelling).  
Last updated: October 11, 2005 @ 08:56AM