Courses in English

Courses in English are available for a group of at least 6 students.
Fall semester courses | Spring semester courses | International PhD Studies

2011 / 2012

FALL SEMESTER

Introduction to Quantum Chemistry

dr Małgorzata Jeziorska (mjezior@chem.uw.edu.pl)
Lecture, 15 hrs
ECTS credits: 1.5
Year II, undergraduate

Educational and professional goals
Learning basic scientific concepts used in spectroscopy. Possibilities of practical use of elementary quantum chemical methods in chemistry.
Course description
Basic concepts of quantum chemistry: Schrödinger equation, statistical interpretation of wave function. Solutions of Schrödinger equation for the one-dimensional harmonic oscillator, the rigid rotor. The eigenvalues and the wave functions of the hydrogen atom. The Born-Oppenheimer approximation and its use in molecular spectroscopy. The H2+ molecule-ion – formation of the covalent chemical bond. Atomic and molecular orbitals. One-electron approximation, the Hartree-Fock method for many-electron atoms and molecules. The electron configurations of many-electron atoms, the atomic term symbols. The electron configurations and the term symbols for molecules. The Hückel method and its simple applications to reactivities of conjugated molecules (HMO reaction indices). Qualitative molecular orbital theory of reactions, Woodward-Hoffman rule. General review of computational methods of electronic structure theory.
Required background:
Completed courses: Mathematics (level 0 or A) and Physics (A)
Form of assessment: written exam


Atomic Spectrometry

prof. dr. hab. Ewa Bulska (ebulska@chem.uw.edu.pl)
Lecture, 15 hrs
ECTS credits: 1
Year I, Master’s

Educational and professional goals
Basic aspects and analytical application of atomic spectrometry.
Course description
Absorption and emission of light; atomic spectrum; resonance line; atomic and emission spectrometry; atomisers; spectrometers; hollow cathode lamps; electrodeless lamp; detectors; optical emission; mass spectrometry; atomic spectrometry in analytical chemistry.
Form of assessment: grading

Bioinorganic Chemistry

prof. dr. hab. Renata Bilewicz (bilewicz@chem.uw.edu.pl)
Lecture, 30 hrs
ECTS credits: 2
Year I, Master’s (starting at 2010/2011)

Educational and professional goals
To develop better understanding of structure – functionality relationship in biological and biomimetic processes involving inorganic molecules, metal ions and their biological complexes.
Course description
Metal ion complexes in biological systems. Types of metalloproteins: redox, hydrolytic, atom and group transfer enzymes. Activation and transport of dioxygen. Structure of the active site. Mechanism of reversible binding of dioxygen and cooperativity effects. Binding of carbon oxide to myoglobin and hemoglobin. Mechanism of biocatalyzed oxygen reduction. Overview of specific copper and iron enzymes, and their model compounds. Applications: biofuel cells and oxygen sensing. Biological nitrogen cycle: molybdenum-dependent nitrogen fixation, nitrification and denitrification processes. Nitrogenase – enzyme structure and mechanistic studies. Biologically relevant group transfer reactions. Reaction pathways involving cobalamins: vitamin and coenzyme B12. Model systems and role of apoenzyme. Metal ion uptake, transport in organisms and removal. Iron uptake by microorganisms: siderophores. Metal ion concentration gradients (ion-channels, voltage gated channels, ion pumps). Application of metal ion complexes in probing structure of nucleic acid. Medical applications of selected metal complexes: therapeutic compounds, diagnostic agents (MRI), and radionuclide complexes in nuclear medicine.
Required background:
Basic knowledge of inorganic and coordination chemistry
Form of assessment: test

Environmental Analysis

prof. dr. hab. Ewa Bulska (ebulska@chem.uw.edu.pl)
Laboratory, 60 hrs
ECTS credits: 4
Year I, Master’s

Educational and professional goals
To be aware of the requirements in sampling of environmental materials according to the standards. To be skilful in designing the analytical scheme of the environmental samples monitoring; to select appropriate chemical measurements procedure (fit-for purpose) according to validation data; to be skilful to evaluate the analytical results and compare with respective norms.
Course description
On-field sampling of soil and water. Samples preparation: drying, lyophylization, sieving, extraction of various chemical forms, total digestion, dilution. Selection of the proper analytical procedure according to the sample type and expected concentration of analyte. Evaluation of the uncertainty for the results and comparison of the results. Determination of various ion by ion-chromatography; determination of pH of the environmental samples; determination of Fe by UV-Vis spectrometry; determination of Fe by flame AAS; determination of Ca and Pb by GFAAS. Evaluation of the quality of analytical results.
Required background:
Analytical chemistry; statistic and chemometric; metrology in chemistry
Form of assessment: participation in all experiments; written test; written reports for all experiments; participation in final seminar.

Molecular Self-Assembly on Solid Supports

prof. dr. hab. Renata Bilewicz (bilewicz@chem.uw.edu.pl)

Lecture, 15 hrs
ECTS credits: 1
Year I, Master’s

Educational and professional goals
To give the overview of self-assembly techniques used to modify solid supports and develop knowledge of molecular organization and interactions within supramolecular assemblies.
Course description
Methods of monolayer assembly. Properties of Langmuir monolayers at the air-water interface. Monolayer forming molecules. Choice of solvent and subphase. Monolayer formation, structure and interactions: surface pressure and surface potential isotherms, Brewster angle microscopy (BAM) imaging, dipole moment measurement. Modification of substrates by Langmuir-Blodgett and Langmuir-Schaefer techniques: monolayer and layer-by-layer deposition procedures. Choice and preparation of substrates. Stability of films on substrates: Intermolecular interactions and interactions of molecules with substrates. Kinetics of monolayer formation. Self-assembly of organothiolated molecules. Probing structure and dynamics of self-assembled monolayers by spectroscopy and microscopy methods, contact angle measurements, ellipsometry. Electrochemical and electrooptical properties: conductivity, capacitance, photoconductivity, electrochromic properties. Electron and mass transport through monolayers. Electron tunneling – superexchange and hoping mechanism. Applications of organized layers. Monolayer and bilayer molecular junctions. Monolayer protected clusters (MPCs): preparation and unique properties. Thin films for molecular electronic devices, modeling of biological membranes, catalytic and electrocatalytic surfaces, molecular recognition and analyte sensing.
Required background:
Basic knowledge of spectroscopy and microscopy techniques.
Form of assessment: test

Theory of the electronic structure of molecules

prof. dr. hab. Bogumił Jeziorski (jeziorski@chem.uw.edu.pl)
Lecture, 30 hrs
ECTS credits: 2
Year I, Master’s

Educational and professional goals
Students will acquire the knowledge of the most useful methods of the electronic structure theory. They will understand their range of applicability, and the level of accuracy achievable using the present-day computational facilities. The purpose of the course is also to give some idea about the most important current research problems of the electronic structure theory. The course is offered primarily to students specializing in theoretical chemistry, but can also be useful to students in other subfields of chemistry who utilize electronic structure codes in their research.
Course description
Separation of the electronic and nuclear motion. Significance of the electronic structure theory for the quantum theory of molecules and the theory of chemical reactions. Separation of the spin and spatial part of the wave function. The symmetry groups of many-electron systems. Second quantization, density matrices and their properties. Mean-field theories. Closed- and open-shell Hartree-Fock theory. Atomic basis sets and computation of molecular integrals. Stability of solutions. Direct approach to Hartree-Fock theory. Linear scaling in the Hartree-Fock theory. The concept of the electronic correlation. The physical origin of the electronic correlation and the classification of its basic types. Moller-Plesset perturbation theory – algebraic and diagrammatic approaches. Convergence behavior of the Moller-Plesset expansion. Localization and the linear scaling in Moller-Plesset theory. Open-shell generalizations of Moller-Plesset theory. Configuration interaction theory. Multiconfiguration self-consistent field theory. Separability problem and size consistency. Single-reference coupled cluster theory. Relation to Moller-Plesset theory. Role of triple and higher excitations. CCSD(T) approach. Open-shell generalizations of the coupled cluster theory. Single-reference approach to high-spin states. Exponential representations of open-shell wave function. State and valence universality. Theory of static molecular properties. The role of Hellmann-Feynman theorem and the orbital relaxation effects. Calibration of the electronic structure methods. Role of basis sets and type of excitations. Extrapolation methods. Density functional theory.
Required background:
It is assumed that students have already acquired some knowledge of quantum chemistry, in particular, that they took the course Quantum Chemistry
Form of assessment: exam

Microemulsions of natural compounds

dr Hanna Wilczura-Wachnik (wilczura@chem.uw.edu.pl)
Monographic lecture, 15 hrs
ECTS credits: 1
Year I, Masters

Educational and professional goals
The aim of this lecture is to get the knowledge on specific properties of microemulsions containing biologically active compounds and learn the methods used in active transport studies.
Course description
Colloids: winning methods, thermodynamic of stable dispersive systems (theoretical background). Systems mimicking natural membranes: micelles, reversed micelles, lipids bubbles, lipids bilayer. Micellar systems – structure parameters. Surfactants: types, structure, properties. Surfactants solutions in polar and nonpolar solvents. Calorimetric and UV-vis techniques application in microemlusions of natural compounds studies (the natural compound solubility in the systems modeling biomembranes).
Required background:
Basic physical and organic chemistry
Form of assessment: written exam

SPRING SEMESTER

Metrology in Chemistry

prof. dr. hab. Ewa Bulska (ebulska@chem.uw.edu.pl)
Lecture, 30 hrs
ECTS credits: 2
Year II, undergraduate

Educational and professional goals
To be skilful in making the validation of analytical procedure, to evaluate the uncertainty of the measurement results and to establish the traceability of the chemical results, all according to the requirements of the international standard ISO-IEC 17025:2005.
Course description
Introduction to metrology in physical and chemical results; international requirements in respect of the ISO/IEC 17025:2005; validation of analytical procedure; uncertainty of the analytical results; traceability of the results of chemical measurements; certified reference materials and reference methods of measurements; interlaboratory comparisons; accreditation of chemical laboratories; national and international metrological infrastructure.
Required background:
Analytical chemistry; statistics and chemometrics
Form of assessment: written test

Statistical Thermodynamics

prof. dr. hab. Bogumił Jeziorski (jeziorski@chem.uw.edu.pl)
Lecture, 30 hrs
ECTS credits: 2
Year III, undergraduate

Educational and professional goals
Acquiring the skill of using the statistical model to calculate thermodynamic functions (entropy, free energy, etc.) for specific chemical systems, to study chemical equilibria and to estimate rates of chemical reactions. Another, equally important objective of the course is to show students how the statistical model enables us to understand the laws of thermodynamics and the relation between the properties of individual molecules and properties of matter in the bulk.
Course description
1. Phenomenological and statistical description of macroscopic systems, quantum mechanical definition of microstate, density of states, statistical definition of temperature and entropy.
2. Properties of the entropy and statistical interpretation of the II law of thermodynamics, thermodynamic functions of the ideal gas.
3. Canonical ensemble for a macro- and microscopic system, statistical sum and its relation to thermodynamic functions.
4. Effect of rotation, vibration, electronic excitation, internal rotation, and nuclear spin on thermodynamic functions of gases, residual entropy and statistical thermodynamics of atomic crystals.
5. Application of statistical method to study chemical equilibria and rates of chemical reactions.
6. Grand canonical ensemble, fluctuation of the number of particles in open systems, Bose-Einstein and Fermi-Dirac statistics and their simplest applications.
7. Statistical sum in the classical limit and its calculation for non-ideal gas, virial expansion of the equation of state, van der Waals equation.
8. Classical Monte Carlo and molecular dynamics simulations.
Required background:
Physical Chemistry I, Basic Quantum Chemistry, Basic Spectroscopy
Form of assessment: written exam

Interactions of Drugs With Their Molecular Targets

prof. dr hab. Sławomir Filipek (sfilipek@chem.uw.edu.pl)
Lecture, 15 hrs
ECTS credits: 1
Year I, Master’s

Educational and professional goals
To get familiar with different types of molecular targets for drugs and different interaction types. Knowledge how to describe and model the interactions and effect of various factors on them. Understanding of basic techniques of drug design.
Course description
Large number of known structures of protein-drug complexes enables detailed investigations of interactions between them as well as the modelling of interactions with novel molecules in order to predict the properties of new potential drugs. In this lecture the construction of different types of such complexes as well as mechanisms of drug action on the molecular level will be presented. The protein structure-function relationship and the influence of mutations on change of interactions with ligands (e.g. in cancer cells) will be described. Also the function of internal water molecules in stabilization of complexes and bridging the protein-ligand interactions will be explained. Some basic techniques of drug design will be presented. Complexes with drugs will be shown in dynamic view to include their thermal motion and dynamic match of ligand and enzyme or receptor in their binding sites. The role and mechanism of action of molecular switches (micro-switches) in proteins will be also shown.
Required background:
Biochemistry on the basic level
Form of assessment: exam

Presentation Skill

prof. dr. hab. Ewa Bulska (ebulska@chem.uw.edu.pl)
Lecture, 15 hrs
ECTS credits: 1
Year I, Master’s

Educational and professional goals
Skilful in presentation of the results of scientific investigation in a form of oral or poster presentation.
Course description
The aim of the lecture is to discussed the main requirements for the preparation of oral and poster presentations. Practical guidelines will be given concerning the skilful in presenting the results in a front of various audience; how to select and prepare different materials; the composition and structure of good presentation; diagnosis of the expectation of an audience; how to control stress; how to communicate with audience; the use of rhetoric tools to improve the presentation; how to lead a discussion.
Form of assessment: presentation on the given subject