Subjects

Acid-Base Catalysis - 39 hours

Introduction, definitions and basic concepts. Acid-base catalysis structure. Methods of preparation of alumina, oxides and zeolites. Acid-base catalysis modification. Physical methods for characterization. Catalysis on solid acids main reactions.

Selective Oxidation Catalysts - 39 hours

Quantum mechanics of solids. Examples of industrial reactions: description and mechanism, allyl adsorption, empirical correlations between physicochemical and catalytic properties. Transition metal oxides, perfect crystal and real crystal, structure, thermodynamic and nonstoichiometric properties. Electronic Theory of Catalysis, chemisorption on semiconductors, surface potential, kinetics and real surface. Experimental methods, preparation, physical-chemical analysis, reaction conditions.

Applications of Digital Computers in Analytical Chemistry Theoretical: 26 hours /Practice: 52 hours

General concepts and computer languages. Analysis. Scientific subroutines. Current applications to chemistry.

Spectrometry and Structure Determination - 39 hours

Interaction of electromagnetic radiation and matter. Elements of atomic and molecular structure. Symmetry and group theory. Spectroscopic methods and their applications.
Didactics Improvements InternshipVariableSubject organization. Programming topics. Preparation of classes, exercises and tests. Evaluation.

Stereochemistry - 39 hours

Introduction. Structural symmetry. Diasteriomers. Enantiomers. Dynamic stereochemistry. Determination of relative and absolute configuration. Conformational analysis.

Fundamentals of Catalysis - 52 hours

Theoretical aspects of heterogeneous catalysis. Catalytisis reactions Stages. Elimination of mass and heat transfer effects on kinetics. Physical and chemical adsorption, direct and indirect methods of adsorption measurements, Freundlich, Langmuir, B.E T and Dubinin equations. Catalysis types and preparation. Characterization of catalysis, direct and indirect methods. Catalyst tests.

Heterocyclics - 39 hours

Nomenclature.

Synthesis. Reactions. Pharmaceuticals properties and general uses of the various classes of N, O, S, P, Se, Si, and B heterocyclics.

Introduction to Research - 39 hours

Scientific thought. Observations. Inductive reasoning. Deductive reasoning. Inquiries. Scientific research steps. Principles of scientific work. Scientific literature and information retrieval. Scientific responsibility and precautinary principles. Security in research and technical workplace procedures.


Mechanisms of Organic Reactions I - 52 hours

Structure of atom molecules and chemical bonds. Kinetic and non kinetic methods of determining reactions mechanism. Free energy relationships. Carbocation stability, nucleophilic substitution, addition, elimination and molecular rearrangements. Carbanions, stability, generation, reaction with carbonyl compounds.

Mechanisms of Organic Reactions II - 52 hours

Molecular Orbital Theory, HÜCKEL Theory. Aromaticity and electrophilic aromatic substitution. Pericyclic reactions: electrocyclic, cicloaddition, sigmatropic and cheletropic. WOODWARD-HOFFMANN rules, molecular orbital theory, Mobius-Hückel concepts. Free radical reactions. Photochemistry, principles, orbital symmetry  and electrons activity in reactions.

Instrumental Methods - 39 hours

Reactions, mechanisms and applications: Mannich, Wittig and Michael. Claisen and Aldol Condensation. Claisen, Favorski, Pinacol and Fries rearrangements. Birch, Wolff-kishner, and Clemmens Reductions.

Molecular Modeling Theoretical: 26 hours / Practice: 65 hours

Introduction. Evolution. Fundamentals. Experimental data collection and parameterization. Usage: type of computerization desired and physical and computational models (SC and BIOSYM).

Special Topic - Advanced Inorganic Chemistry - 39 hours

Molecular Symmetry and Functional Groups. Atomic and Electronic Properties of Transition Elements. Molecular Symmetry and its Representation. Chemical bonding formed by transition element. Spectroscopic properties. Solid state.

Quantum Chemistry - 52 hours

Fundamentals of quantum mechanics. Atom electron. Multielectronic atoms. Approximation methods. Chemical bonds and molecular structure.

Nuclear Magnetic Resonance - 39 hours

Quantizatized angular momentum in NMR theory. Nuclear spin. Chemical shifts. The theory of spin-spin and dipole couplings. Bloch equations. Vector model of Angula Momentum. Radiofrequency Excitation pulses. Detection of NMR signals. Sequences of pulses. Experiences in one and two dimensions. Reverse detection system.


Organic Synthesis - 52 hours

Strategies and retro synthetic analysis. Modern methods of forming carbon-carbon and carbon-heteroatom bonds. Chemical literature examples of  Modifications and protection of functional groups.

Laboratory Techniques - 65 hours

Safety in the laboratory. Experimental work Methods and basic techniques. High pressure work. Chromatographic methods. Applied operations research for student specialization.

Advanced NMR Techniques - 39 h

Polarization transfer. One-dimensional pulse sequence. INEPT, DEPT, APT. Methods of selective excitation. DANTE, shaped pulses. Pulse sequence for two-dimensional. COSY, HETCOR, HOM2DJ, HET2DJ, INADEQUATE-2D, HMBC, HMQC, NOESY, ROESY, TOCSY. NMR in three dimensions. NMR of solids. NMR in vivo.

Special Topic - Instrumental Methods in NMR - 39 hours

NMR sample preparation. Varian UNITY-300 Spectrometer operation. Locking  and Shimming practice. VNMR program use. Data acquisition control and manipulation parameters. Pulse calibration. Measurement of T1 and T2. One and two-dimensional assemblies. Data Manipulation and Obtention. 13C PND, SFORD, GATED, WEFT, BINOM, COSY, HECTOR, NOESY, AND NOEDIFF, multinuclear NMR studies of liquids. Operation with temperature monitoring. Simulation of spectra by RACCOON, LAOCOON, PANIC. Basic NMR Instrumentation. Spectrometer maintenance routine.


Special Topic - New Perspectives of Projects - Development Bodies - 39 hours

The importance of reading. Techniques for Elaboration of projects. Project elboration phase. Seminars preparation. Introduction to Scientific Research. Prospects and opportunities of access to information. Elaboration of a research project requesting assistance from a promotion agency.

Special Topic – Catalyst Preparation - 39 hours

Definition. Structure of catalysts. Development of Catalysts. Catalytic materials. Design of catalysts. Preparation of Catalysts. Catacterization of catalysts.

Special Topic - Environmental Chemistry - 39 hours

Natural zeolites in inorganic effluents treatment. Mineralogical and geochemical characterization of natural zeolites. Methods of determining cation exchange capacity. Factors affecting stability and efficiency of ion exchange process. Study of the Influence of different anions ratios. Study of the removal characteristics of heavy metals. Evaluations of mass transfer rate. Adsorption isotherms. Kinetic and Thermodynamic Study.

Special Topic - Organophosphorus Chemistry - 39 hours

Synthesis of organophosphorus compounds. Metal phosphine complex, phosphorus, phosphonates, aminophosphine complexes. Phosphonium compounds. Halo and pseudo halo phosphines, phosphorylation and phosphoryl halides and phosphinic acid phosphine phosphinic derivatives, phosphinic. Mechanisms of organophosphorus reactions applications in practical life.

Special Topic - Organic Chemistry Advanced - 39 hours

Polarity of Organic Compounds. Aromatic Compounds. Molecular chirality. Stereochemistry and the reactive intermediates in organic chemistry reactions.

Special Topics in Medicinal Chemistry - 39 hours

Cell structure and function. Basic microbiology. Receptors, channels and enzymes. Pharmacological action and drug planning. Molecular Modeling, preclinical QSAR and ADME. Chemotherapy of infectious diseases, cancer and degenerative diseases.

Special Topics in Molecular Modeling - 26 hours

Introduction to protein homology. Construction and validation of homology models from databases softwares use. Empirical force fields models. Energy minimization methods. Molecular dynamics of protein and DNA. Molecular simulation methods with GROMACS 3.2.1 for energy minimization and molecular dynamics simulation of proteins in water tanks.