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Disciplines summary

MASTER’S DEGREE IN PROFILE "CHEMINFORMATICS AND MOLECULAR MODELING"

Name of discipline / unit / module Foreign language

Term Duration Course type ECTS Student workload

1,2 28 weeks obligatory 5 Classroom work – 56 hrs., Self-study – 88 hrs.

Participation requirements

Examination type (oral, written, term paper etc.)

Training and teaching methods (lectures, seminars etc.)

Course coordinator

Knowing a foreign language at the elementary level

Examin ation is consist of 2 parts:

p.1. Writtenp.2. Oral

Mastering of "Foreign language" discipline involves both traditional (Practical trainings with the use of learning materials) and innovative educational technologies of active and interactive forms: implementation of case studies using professional software for creation and maintenance of electronic databases; multimedia programs, ia the preparation and performances of students at seminars with photos, audio and video materials on the proposed topics, SANAKO.

Ysmahylova, A.R.

Learning outcomes

After completion of the discipline:1. student must know:

basic search methods of professional information, basic techniques of analytical and synthetic information processing, rules for annotations compiling and general scientific texts abstracting;

at least 2500 lexical units of general and specialized character, of which about 1000-1500 units are reproductively;

rules of oral monologue and dialogue speech making in situations of business and professional communication.

2. student must be able: to understand, to translate, to abstract and to annotate the literature on the narrow

and wide profile of specialty; to understand oral (monologue and dialogue) professional speech; to actively wield the most common grammar and basic grammatical phenomena

typical for professional speech; to allocate primary and secondary information when reading adapted and original

literature; to register the information in the form of abstract, annotation, message, report; to raise a level of language competence, using a variety of reference books,

dictionaries and online resources competently and efficiently.3. student must master:

normative pronunciation and the rhythm of speech; the most common grammar and basic grammatical phenomena typical of the general

scientific speech; oral communication skills and their applying on topics of educational, general scientific

and professional communication with the norms and rules of the English language etiquette;

various types of reading of adapted and original literature (viewing, searching, analytical and specific information extracting).

4. student must show the ability and willingness to: monologue and dialogue speech within the general scientific and professional

subjects;basics of public speaking (making messages, reports and presentations with preliminary preparation);

basic written communication skills necessary to conduct correspondence in the professional and scientific purposes;

basic techniques of annotation, abstracting and translation of literature on specialty.

Contents

Topic 1. 1. Phonetics. 2. Communicative Grammar 3. Vocabulary 4. Listening 5. Reading 6. Speaking 7. Writingpractical training (28 hrs.)Topic 2. 1. Phonetics. 2. Communicative Grammar 3. Vocabulary 4. Listening 5. Reading 6. Speaking 7. Writingpractical training (28 hrs.)

Literature

Basic literature:1. Bagautdinova, G.A., Lukina, I.I. English for postgraduate students and applicants:

Textbook. - Kazan: KFU, 2012. - 134 pp. http://www.kpfu.ru/main_page p_sub=144662. Kutepova, M.M. The World of Chemistry. English for Chemists: a textbook for university

students trained on a specialty 011000 - Chemistry and on the direction 510 500 - Chemistry and for English Language Learners / Kutepova, M.M. [5th ed., Ext. and rev.]. Moscow: University Book House, [2013]. 253, [1] pp.

3. Dyukanova, N.M. English: Textbook / Dyukanova, N.M. - 2-e ed., Rev. And add. - M .: SIC INFRA-M, 2013. - 319 pp. - Access: http://znanium.com/bookread.php book=368907

4. Sipols, O.V. Develop Your Reading Skills: Comprehention and Translation Practice. Teaching reading and translation (English) [electronic resource]: Proc. Benefit / Sipols, O.V. - 2nd ed., stereotype. - M.: Flinta: Nauka, 2011. - 376 pp. Access:

http://znanium.com/bookread.php book=4098965. Kozharskaya, E.E. English for students of natural faculties = English for sciences: the

textbook for students of institutions of higher education / Kozharskaya, , E.E., Daurova Y.; ed. prof. Polubichenko, L.V. 2nd ed., Rev.. Moscow: Academy, 2012. 173, [2] pp .:

Additional literature:1. Reading science: textbook for students of add. qualification "Translator in prof.

Communication" / Kazan. state. Univ. comp. doc. Odinokova. - Kazan: [Kazan. state. University Press], 2007. 50 pp.

2. Shchaveleva, E.N. How to make a scientific speech: a workshop on the development of public speaking skills in English for students, candidates for a degree, scientists of technical specialties: a textbook for students of higher educational institutions: Shchaveleva, E.N.. - Moscow: KNORUS, 2007. 91 pp.

3. Kamyanova, T.G. English. Practical course of the English language: phonetics, grammar, newest lexical material. 1000 exercises for speaking and writing practice. Texts of English and American authors. Politics, economics, the history of the United Kingdom and the United States. 8th ed., Sr. Moscow House of Slavic books, 2013. 383 pp.

Name of discipline Philosophical Problems of Chemistry


1 14 weeks

obligatory 4 Classroom work - 56, Self-study - 88




Course coordinator

Based on the main sections of general scientific disciplines: Philosophy

oral Lectures, seminars, abstracts

Budnikov, G.K.

Learning outcomes


that the history of chemistry is a part of the chemistry as a part of cultural history, too; Contents and main features of modern chemistry; methodological problems of chemistry, basic concepts of chemistry and evolution of its contents, the fundamental laws of chemistry, classification of the main methods of research in chemistry; the main stages of the development of chemistry, the most outstanding scientific achievements of Russian and foreign chemists, chemistry place in the modern world, in the life sciences and earth sciences and its role in the person's outlook.

2. student must be able: to distinguish a chemical component in the natural balance violation as a result of

anthropogenic impacts on the examples of chemical catastrophes of the last century and to give general philosophical evaluation of possible long-term effects.

3. student must master: the basic concepts of the philosophy of chemistry and physics

4. tudent must show the ability and willingness: to understand nature and significance of the information in the chemical character

in assessing the quality of life and in the development of modern information society and of general philosophical approaches

Contents

Topic 1. Introduction. The history of teaching "History of Chemistry".lecture (1 hrs.)Topic 2. Chemistry in the ancient world, in the Middle Ages and in the Renaissance.lecture (1 hrs.), practical training (4 hrs.)Topic 3. Chemistry in the XVII - XVIII centuries.lecture (1 hrs.)Topic 4. Chemistry at beginning of the XIX century.lecture (2 hrs.), practical training (2 hrs.)Topic 5. Chemistry in the second half of the nineteenth century.lecture (2 hrs.)Topic 6. Regional aspects of the history of chemistry - Kazan chemical school.lecture (2 hrs.), practical training (4 hrs.)Topic 7. Chemistry of the twentieth century.lecture (2 hrs.)Topic 8. Conceptual and methodological problems of chemical science.lecture (4 hrs.), practical training (4 hrs.)Topic 9. Mathematisation physicalization and chemical theories and their role in the formation of chemical knowledge.lecture (1 hrs.), practical training (4 hrs.)Topic 10. The conceptual apparatus, formulas and other symbolic means in chemistry.lecture (1 hrs.)Topic 11. Methods of research of chemical phenomena.lecture (4 hrs.), practical training (5 hrs.)Topic 12. The typology of chemistry objects.lecture (4 hrs.)Topic 13. Chemistry among other sciences of the natural cycle.lecture (1 hrs.), practical training (2 hrs.)Topic 14. Direct and indirect methods of chemical analysis.lecture (1 hrs.), practical training (2 hrs.)Topic 15. Features of modern chemistry.lecture (1 hrs.), practical training (1 hrs.)

Literature

Basic literature:1. Mittova, I.Y. The history of chemistry from ancient times to the end of the XX century:

a textbook for university students trained on a specialty of HPE 020 900 - Chemistry, Physics and Mechanics of Materials [2 m.] / I.Y. Mittova, A. Samoilov. Dolgoprudny: Intelligence, 2009.-; 25. Vol 1 - 2012 411.

2. Mittova, I.Y. The history of chemistry from ancient times to the end of the XX century: a textbook for university students trained on a specialty of HPE 020 900 - Chemistry, Physics and Mechanics of Materials [2 m.] / I.Y. Mittova, A. Samoilov. Dolgoprudny: Intelligence, 2009.-; 25. Vol 2 - 2012 623 pp.

3. Kryanev Y.V. History and Philosophy of Science (Philosophy of Science): Learning materials / Y.V.Kryanev, N.P.Volkova etc .; Ed. L.E.Motorina, Y.V.Kryanev - 3-e ed., Rev. and add. - M .: Alpha-M: SRC INFRA-M, 2014. - 416 p .:http://znanium.com/bookread.php book=425677

4. Vladimirov, A.A., Zelenov, L.A. History and Philosophy of Science [electronic resource]: Learning materials for master students, post-graduate students and applicants / L.A. Zelenov, A.A. Vladimirov, V.A. Schurov. - 2nd ed., stereotype. - M.: Flinta: Nauka, 2011. - 472 pp. // http://znanium.com/bookread.php book=40611

5. Mareeva, E.V. Philosophy of Science: Textbook for postgraduate students and applicants / E.V. Mareeva, S.N. Mare, A.D. Maidansky; Moscow Academy of Economics and Law. - M .: INFRA-M, 2010. - 333 pp. http://znanium.com/bookread.php book=190229

Additional literature:1. Budnikov, G.K., Sorokin T.D. History and Methodology of Chemistry at the University

of Kazan. Kazan: KFU Publishing House, 2006. 166 pp2. Kargin, Y.M., Budnikov, G.K. Essays on the history of electrochemistry of organic

compounds in Kazan. Kazan: KFU Publishing House, 2006. 154 pp3. Department of Chemistry of the Kazan University. Chronology of major events of life

and activity in the documents. Volume 1 and 2, Compilers A.V.Zaharov T.D.Sorokin. KFU Publishing House. Kazan. 2008.

Name of discipline Computer technologies in science and education


2 14 weeks





Course coordinator

Based on the main sections of general scientific disciplines: Advanced Mathematics, Computer Science (Information Technology).

Practical work Practical trainings,slideshow with multimedia

Novikov, V.B.

Learning outcomes


the key concepts of modern information technologies, both general and specific research

Designation of the most common means of automation of information activities (word processors, graphic editors, spreadsheets, databases, computer networks)

Principles of the organization, procedures and effective ways of working with each packet, methods of obtaining additional knowledge on the work of package;

2. student must be able: to use appropriate software for data processing; to Effectively solve research tasks through the studied software, similar to training

tasks, and also apply independently their knowledge to solve new tasks; to efficiently search and use scientific and technical information by means of

computer and network technologies.3. student must master:

Applying studied software for processing, analyzing and storing data.4. student must show the ability and willingness:

to effectively use communication technologies, ia Internet services for obtaining information relevant to research topics.

Contents

Topic 1. Overview of research problems that can be solved with the help of personal computers and basic software packages to solve them.practical training (4 hrs.)Topic 2. Search of scientific and technical information on the Internetpractical training (6 hrs.)Topic 3. Management System for bibliographic databases, Reference Manager, EndNote, Mendeley, Zotero.practical training (8 hrs.)Topic 4. MS Office Excelpractical training (6 hrs.)Topic 5. MS Office Accesspractical training (4 hrs.)Topic 6. Origin packagepractical training (6 hrs.)Topic 7. Package management and automation of operations with VBApractical training (6 hrs.)Topic 8. MathCAD packagepractical training (8 hrs.)Topic 9. Systems for graphical input and drawing chemical structures (ChemDraw, ISIS Draw), for technological schemes (ChemCAD), for automatic design (AutoCAD, KOMPAS 3D)practical training (8 hrs.)

Literature

Basic literature:1. Isakova, O.P., Tarasevich, Y.Y., Yuzyuk YI Data processing and visualization of

physical experiments using a package Origin - M: The Book House "LIBKOM", 2009. -

136 pp.2. Tarasevich, Y.Y. Mathematical and computer modeling: introduction: a textbook for

university students trained on the specialty 030100 "Computer Science" / Tarasevich, Y.Y.. Ed. 6th. Moscow: URSS: [LIBROKOM 2013] .- 48, [1] p .

3. Tarasevich, Y.Y. Mathematical and computer modeling: introduction: a textbook for university students trained on the specialty 030100 "Computer Science" / Tarasevich, Y.Y.. Ed. 5th. Moscow: URSS: [LIBROKOM, 2012]. 148 [1] s.

4. Computer technologies in science and education: Textbook / L.S. Onokoi, V.M. Titov. - M .: ID FORUM: INFRA-M, 2011. - 224 pp. // http://znanium.com/bookread.php book=241862

5. Fedotova, E.L. Information Technologies in science and education: Textbook / Fedotova, E.L. , Fedotov, A.A.. - M .: ID FORUM: SIC INFRA-M, 2013. - 336 p //http://znanium.com/bookread.php book=41118

6. Traynev, V.A. New information and communication technologies in education [electronic resource] / Traynev, V.A., V.Y. Teplyshev, I.V. Traynev. - 2nd ed. - M.: Publishing and Trading Corporation "Dashkov &Co", 2013. - 320 pp. // http://znanium.com/bookread.php book=430429

Additional literature:1. Bykova, V.V. The Art of database creation in Microsoft Office Access 2007 [electronic

resource]: Learning materials / V.V. Bykova. - Krasnoyarsk: Sib. Feder. University Press, 2011. - 260 pp. http://znanium.com/bookread.php book=443138

2. Gazenaur, E.G. Computer Technologies in Science and Education: Learning materials [summary of lectures] / E.G. Gazenaur. Tomsk: Publishing house of Tomsk State Pedagogical University, 2009. 155pp..

3. Nasibullov, R.R. Information technologies in professional work: Summary of lectures / Nasibullov R.R. Kazan (Volga Region) Federal University.- Kazan, 2013. - 58 pp. http://libweb.ksu.ru/ebooks/20-IPO/20_217_A5kl-000531.pdf

Name of discipline Fundamentals of quantum chemistry


2 11 weeks

(obligatory, elective)

4 Classroom work - 42, Self-study - 48




Course coordinator

Based on the main sections of general scientific bachelor and specialty disciplines,: Advanced Mathematics, Physics, Non-organic chemistry. Discipline teaching is based on

Lectures, Practical trainings, seminars, implementation of creative tasks and reading reports on the results

Madjidov, T.I.

the knowledge acquired by students during their studying "Mathematical methods in chemistry", "ABC of chemistry".

Learning outcomes


the main modern methods of quantum chemistry (nonempirical and semi-empirical methods, density functional theory);

have an idea of approximations and assumptions used in the development of these techniques,

have an idea of constraints and opportunities of different methods for modeling the electronic structure and chemical reactions

2. student must be able: determine the necessary information to calculate the electronic structure of molecules

and analyze data calculations; To navigate vast literature that uses the data of quantum-chemical calculations3. student must master:

skills of: Quantum-chemical calculations of physico-chemical characteristics of the substances; Quantum-chemical modeling of chemical reactions4. student must show the ability and willingness: apply the knowledge in practice for theoretical and applied problems solving

Contents

Topic 1. Quantum chemistry. Geometry optimizationlecture (2 hrs.), practical training (2 hrs.)Topic 2. Quantum mechanicslecture (4 hrs.), practical training (2 hrs.)Topic 3. approximation of quantum chemistry. Hartree.lecture (2 hrs.)Topic 4. The Hartree-Fock methodlecture (2 hrs.), practical training (4 hrs.)Topic 5. The basis sets and pseudopotentials.lecture (4 hrs.), practical training (4 hrs.)Topic 6. Electronic Featureslecture (2 hrs.), practical training (4 hrs.)Topic 7. Semi-empirical quantum chemistry methodslecture (2 hrs.), practical training (2 hrs.)Topic 8. Methods of electron correlation. Methods of density functional theory.lecture (2 hrs.), practical training (2 hrs.)Topic 9. Implementation and passing a practical work.practical training (2 hrs.)

Literature

Basic literature:1. Gelman, G. Quantum chemistry / G. Gelman; with a foreword. and comments. d. Sci.

A.L. Chugreev and add. G. Gelman jr. 2nd ed., Ext. Moscow: Binom. Knowledge Laboratory, 2011 .533 pp.

2. Ermakov, A.I. Quantum mechanics and Quantum chemistry: Learning materials: for university students trained on a specialty 020101.65 HPE "Chemistry" / A.I. Ermakov. Moscow: Yurayt 2014. 555. :

3. Tsirelson, V.G. Quantum chemistry. Molecules, molecular systems and solids. 2nd edition. - M .: Binom. Knowledge Laboratory, 2012. - 496 pp.http://e.lanbook.com/books/element.php pl1_id=3150

4. Kochelaev, B.I. Quantum Theory: Lecture notes / B.I. Kochelaev; Kazan Fed. University, Physics Department. -Kazan: Kazan Fed. University, 2009 .; hrs. 1 - 99.

5. Madjidov, T.I. Cheminformatics and molecular modeling: the distance learning course for bachelor and master students on training direction: 020100 "Chemistry" [Electronic resource]. Golf "Zilant" KFU, 2013. // http://zilant.kpfu.ru/course/view.php id=376

Additional literature:1. Meyer, I. Selected chapters of quantum chemistry: proofs of theorems and formulas

conclusion. Moscow BINOM. Lab. of knowledge, 2006. - 384 pp.2. Gribov, L.A., Baranov, V.I. Theory and methods of calculation of molecular processes

spectra chemical conversion and molecular logic. Moscow [KomKniga], 2006. 476 pp.

Name of discipline Cheminformatics


3 14 weeks





Course coordinator

The study of this discipline is based on the knowledge acquired during studying of disciplines "Mathematical methods in chemistry", "ABC of chemistry", "Principles of biology", "Quantum chemistry", "Modern theories of chemical

Written tasks and oral response to the

theoretical question.

Lectures, Practical trainings, implementation of creative tasks and reading reports on the results

Madjidov, T.I.

bonding".

Learning outcomes

After completion of the discipline:1. student must know: basic concepts, definitions, methods and approaches used in cheminformatics; Cheminformatics techniques required to solve various problems in chemistry; Ways of chemical data representing, search methods in chemical databases; basic

chemical databases used for research purposes, methods of working with them; The main descriptors used in cheminformatics; theoretical methods of creating and selecting the chemical compounds for biological

screening; basic algorithm of virtual screening of chemical compounds, general filters used in the

drugs creation; Ways of SAR / QSAR dependencies constructing, to have an idea about the use of

data mining techniques for this purpose;2. student must be able:

to create custom database, to manipulate them, to conduct a search therein; to Use a representation of the chemical descriptor space to find materials with the

required properties, to be able to calculate the basic descriptors and understand their meaning;

to prepare and to supervise data; to build the elementary SAR / QSAR / QSPR dependences, to determine their

statistical significance; to use SAR / QSAR / QSPR methods for creating materials with predetermined

properties;3. student must master:

skills to analyze the chemical databases to solve specific problems; Skills to solve chemical problems with use of cheminformatics means; Major programs for databases creating and manipulating; The main methods of intellectual analysis and to be able to build SAR / QSAR /

QSPR dependences using these methods.4. student must show the ability and willingness: to use cheminformatics means for the prediction of structure connection with the

required biological, chemical and physico-chemical properties

Contents

Topic 1. Introduction to the discipline.lecture (2 hrs.)Topic 2. Representation of chemicals.lecture (6 hrs.), practical training (4 hrs.)Topic 3. Chemical database.lecture (4 hrs.), practical training (6 hrs.)Topic 4. The molecular diversity.lecture (4 hrs.), practical training (6 hrs.)Topic 5. The molecular descriptors.lecture (4 hrs.), practical training (2 hrs.)

Topic 6. Simulation "structure-property".lecture (6 hrs.), practical training (8 hrs.)Topic 7. Practical work passingpractical training (4 hrs.)

Literature

Basic literature:1. Madjidov, T.I. Introduction to cheminformatics: Computer representation of chemical

structures: Learning materials / T.I. Madjidov, I.I. Baskin, I.S. Antipin, A.A. Varnek. - Kazan: Kazan. University, 2013. - 174 pp.

2. Helte H.-D. et al. Molecular Modeling: Theory and Practice: ed. V.A. Palyulin and E.V. Radchenko; transl. from English. - M: Binom. Knowledge Laboratory, 2009.-318 pp.

3. Madjidov, T.I. Cheminformatics and molecular modeling: the distance learning course for bachelor and master students on training direction: 020100 "Chemistry" [Electronic resource]. Golf "Zilant" KFU EMS, 2013. // http://zilant.kpfu.ru/course/view.php id=376

4. Aspitskaya, A.F., Kirsberg, L.V. Information and communication technologies in chemistry training: textbook. M .: BINOM. Knowledge Laboratory, 2012. - 358 pp. // http://e.lanbook.com/books/element.php pl1_id=3170

Additional literature:1. Kaplan, I.G. Intermolecular interactions. The physical interpretation, computer

simulations and modeling capabilities. Trans. from English. Moscow Binom. Knowledge Laboratory, 2012. 394 pp. http://e.lanbook.com/books/element.php pl1_id=8690

2. Sedykh, A.E., Galkina, I.V., Galkin, V.I. Program "XCHEM" - the use of chemical structure fragments for chemical and biological properties searching and simulation.// KFU Scientific notes. Natural Sciences. 2009. N1. http://libweb.ksu.ru/e-journals/1815-6169/2009/151_1/151_1_est_8.pdf

3. Frenkel, D. (Daan), and Smith, B. Principles of computer simulation of molecular systems: from algorithms to applications. Moscow Scientific World, 2013. 559 pp.

Name of discipline Principles of biology


1 14 weeks

elective 3 Classroom work - 28, Self-study - 44




Course coordinator

Knowing school biology course

oral Development of discipline "Principles of biology" is implemented through the use of traditional (lectures) and

Kurbanov, R.A.

innovative educational technologies, active and interactive forms: presentation of the lecture material with elements of dialogue, discussion, use of multimedia software with a visual aids: drawings, photos, tables, graphs, diagrams, charts, media files, audio and video. Colloquia.

Learning outcomes

1. student must know: Basic concepts and methods of biology, Contents of concepts such as the essence of

life, diversity and levels of organization of biological systems, cells, their cycle, differentiation of organisms, their main systems, principles of classification, the laws of heredity and variation, biological evolution.

2. student must be able: To apply the amount of theoretical knowledge in the field of biology in the study and

protection of wildlife.3. student must master: Basic understanding of the basic laws of biology and its modern achievements.4. student must show the ability and willingness: to the practical application of acquired knowledge for professional problems solving

Contents

Topic 1. The object and purpose of general biology. Levels of organization of life.lecture (2 hrs.)Topic 2. Molecular basis of life. Biopolymers.lecture (2 hrs.)Topic 3. History and the main provisions of cell theory. Comparative characteristics of different cell types.lecture (4 hrs.)Topic 4. The realization of hereditary information. The properties of the genetic code. The main stages of protein biosynthesis.lecture (4 hrs.)Topic 5. General characteristics of metabolism. Assimilation, dissimilation. Photo and chemosynthesis.lecture (2 hrs.)Topic 6. Aerobic and anaerobic cell respiration.lecture (2 hrs.)Topic 7. The reproduction of living organisms. Cell cycle. The main methods of nuclear

fissionlecture (4 hrs.)Topic 8. Gametogenesis. The reproduction of living organisms.lecture (2 hrs.)Topic 9. Theory of the origin of life on Earth.lecture (2 hrs.)Topic 10. Environmental science. Basics biocenology. Concept of ecosystem and biogeocoenose.lecture (4 hrs.)

Literature

Basic literature:1. Plakunov, V.K. Fundamentals of Dynamic biochemistry: Learning materials for

university students studying on the direction of training "Biochemistry", "Ecology and Nature Management", "Chemical Technology and Biotechnology" on specialties "Biology", "Physiology", "Microbiology", "Biotechnology", "Bioecology "/ V.K. Plakunov, Y. Nikolayev. Moscow: Logos, 2010. 213pp.

2. Wilson, K., Walker, J.. Principles and methods of biochemistry and molecular biology. - 2nd ed. - M .: Binom. Knowledge Laboratory, 2013. - 848 pp.http://e.lanbook.com/books/element.php pl1_id=8811

3. Biological Chemistry with exercises and tasks: Textbook / Ed. S.E. Severin. - 2nd ed., Rev. and add. - M .: GEOTAR Media, 2013. - 624 p .: ill. // http://www.studmedlib.ru/book/ISBN9785970425336.html

4. Plakunov, V.K. Fundamentals of dynamic biochemistry [electronic resource]: the textbook / V.K. Plakunov, Y. Nikolaev. - M .: Logos, 2010. - 216 pp. http://znanium.com/bookread.php book=469367

Additional literature:1. Dymshits, G.M., Sablina, O.V. Molecular basis of modern biology: Learning materials.

Novosibirsk [Novosibirsk State University], 2012. 250 pp.2. Pekhov, A.P. Biology with the fundamentals of ecology: a textbook for university

students trained on natural sciences specialties and directions. Ed. 7th, sr. St. Petersburg [et al.] Lan, 2007. 687 pp.

3. Lisov, P. K. Biological fundamentals of ecology: the textbook for students of universities / P.K. Lysov, A.P. Akifyev, N.A. Dobrotina. Moscow: Higher School, 2009. 655.

Name of discipline ABC of chemistry


1 14 weeks elective 3 Classroom work - 28, Self-study - 44




Course coordinator

Knowing school chemistry course

written lectures Nemtarev, A.V.

Learning outcomes

After completion of the discipline:1. student must know: general laws of chemical reactions in solutions, fundamentals of chemical

thermodynamics and kinetics; Classification and nomenclature of organic and inorganic compounds, the most important classes of organic compounds; structure, methods of preparation, physical and chemical properties, the basic theoretical concepts in organic chemistry, mutual conversion classes of organic compounds

2. student must be able: to apply theoretical knowledge on the structure, on changing of the composition and

reactivity of the reactants to predict the characteristics of the reactions, of the composition, of structure and of properties of the products; to use periodic system; to solve problems in organic chemistry, to make reaction equations, to use a reference, reviews and books in the field of organic chemistry

3. student must master: the skills of chemical experiment within the safety regulations when using chemicals, the

analysis of experimental results and valid conclusions formulating; theoretical concepts of organic chemistry, knowledge of the composition, structure and properties of organic substances representatives of the main classes of organic compounds;

4. student must show the ability and willingness: to apply their knowledge for further courses studying

Contents

Topic 1. Basic concepts and laws of chemistry. The relationship of chemistry and other sciences. Atoms and atomic structure.lecture (2 hrs.)Topic 2. Quantum-chemical description of the structure of the atom. The structure of the electron shells. Periodic Law, the periodic system of DI Mendeleevlecture (2 hrs.)Topic 3. The nature of the chemical bond. Introduction to Modern theories of chemical bonding. The types of chemical bond. intermolecular interactionslecture (2 hrs.)Topic 4. chemical equilibrium, Le Chatelier's principle-Brown. Kinetics of Chemical Reactions.lecture (2 hrs.)Topic 5. The liquid state of matter. The theory of solutions. Ways of expressing concentration of solutions. Colligative properties. Strong and weak electrolytes. Dissociation of acids and bases. Ion product of water, pH value (pH). Hydrolysis of saltslecture (2 hrs.)Topic 6. The main classes of inorganic compounds. The concepts of compounds s-, p-, d- and f-elements.lecture (2 hrs.)Topic 7. Complex compoundslecture (2 hrs.)

Topic 8. Redox reactionslecture (2 hrs.)Topic 9. General characteristics of metals and non-metalslecture (2 hrs.)Topic 10. Introduction to organic chemistrylecture (2 hrs.)Topic 11. Theory of the structure of organic compoundslecture (2 hrs.)Topic 12. Organic reactions. Classification of organic reactionslecture (2 hrs.)Topic 13. Hydrocarbons.lecture (2 hrs.)Topic 14. Functional derivatives of hydrocarbons.lecture (2 hrs.)

Literature

Basic literature:1. Reutov, O.A. Organic chemistry in 4 parts: part: 1: Learning materials for HEI/

O.A.Reutov, A.L.Kurts, K.P.Butin - M .: Binom, 2014.- 567 pp.2. Reutov, O.A. Organic chemistry]: 4 parts: part: 2: Learning materials for HEI /

O.A.Reutov, A.L.Kurts, K.P.Butin - M .: Binom, 2013. The 623-pp.3. Reutov, O.A. Organic chemistry in 4 parts: part: 3: Learning materials for HEI /

O.A.Reutov, A.L.Kurts, K.P.Butin - M .: Binom, 2014 -543, [1] pp.4. Reutov, O.A. Organic chemistry in 4 parts: part: 4: Learning materials for HEI /

O.A.Reutov, A.L.Kurts, K.P.Butin - M .: Binom, 2014, 722, [4] pp.5. Reutov, O.A. Organic chemistry in 4 parts: part: 1: Learning materials for HEI/

O.A.Reutov, A.L.Kurts, K.P.Butin - M .: Binom, 2012.- 567 pp. http://e.lanbook.com/books/element.php pl1_id=3152

6. Reutov, O.A. Organic chemistry]: 4 parts: part: 2: Learning materials for HEI/ O.A.Reutov, A.L.Kurts, K.P.Butin - M .: Binom, 2012. 623-pp. http://e.lanbook.com/books/element.php pl1_id=3153

7. Reutov, O.A. Organic chemistry in 4 parts: part: 3: Learning materials for HEI/ O.A.Reutov, A.L.Kurts, K.P.Butin - M .: Binom, 2012. -543, [1] pp. http://e.lanbook.com/books/element.php pl1_id=3154

8. Reutov, O.A. Organic chemistry in 4 parts: part: 4: Learning materials for HEI/ O.A.Reutov, A.L.Kurts, K.P.Butin - M .: Binom, 2013, 722, [4] pp. http://e.lanbook.com/books/element.php pl1_id=3155

9. Madjidov, T.I. Cheminformatics and molecular modeling: the distance learning course for bachelor and master students on training direction: 020100 "Chemistry" [Electronic resource]. Golf "Zilant" KFU MSA, 2013. // http://zilant.kpfu.ru/course/view.php id=376

Additional literature:1. Shitova, N.S. General and Non-organic chemistry: Learning materials / N.S. Shitova;

Feder. Education Agency, FSAEI HPE "Kazan. State. tehnol. Univ." Kazan: KSTU 2007. 159.

2. Akhmetov, N.S. General and Non-organic chemistry: textbook for students of chemical and technological specialties of HEI / N.S. Akhmetov. Ed. 7th, sr. Moscow: Higher School, 2009. 742, [1] pp.

3. Organic chemistry. Short course: Learning materials / V.G. Ivanov, O.N. Geva. - M .: Course: SIC INFRA-M, 2015. - 222 pp. http://znanium.com/bookread.php book=459210

Name of discipline Pharmacodynamics and pharmacokinetics






Course coordinator

Students need the knowledge obtained during bachelor and specialties programs on the subjects of chemical and biological profile (Biochemistry, Organic chemistry, General chemistry), and the knowledge obtained under the program of the Magistracy (Principles of biology, ABC of chemistry).

oral Lectures, seminars Mironov, V.F.

Learning outcomes

After completion of the discipline:1. student must know: basic concepts and principles of pharmacokinetics and pharmacodynamics as a system

of knowledge of the chemistry of drug interactions with the human body and emerging biological effects on routes of administration, distribution and metabolization of drugs.

Ways of drugs creating, their mechanisms, The direction of drugs metabolism, receptor types on which the drugs act, Laws on the "structure - mechanism of action" relationship, The patterns of drugs distribution and elimination, Basic chemical (enzymatic) processes of drugs biotransformation.2. student must be able: to make distinguish between the concept of "drug substance", "medical agent", "drug

formulation," "drug product" "biologically active additives (BAA)", "homeopathic remedy" to search the pharmacology using various reference books, databases, Internet

resources, scientific periodicals, be able to predict the possible interaction of drugs with the joint application of various

drugs,3. student must master:

Student must master the basic concepts, terminology, tasks of pharmacokinetics and pharmacodynamics. The student must be conversant in receptor system to which the action of drugs is directed, in the mediators that interact with receptors, on their agonists and antagonists, the principles of creating drugs.

4. student must show the ability and willingness: A student must represent how to create a drug substance, to understand its mechanism

of action, must know the metabolism of the drug substance, must know receptor types to which it operates. The student must demonstrate an understanding of the "structure - mechanism of action" relationship, must represent the ways and directions of possible synthetic approaches to the creation or improvement of drug substances. A student must be conversant in chemical reactions of medicinal substances metabolizing by enzymes, must have an understanding of chemical processes of I and II phase of drugs biotransformation, of the transport of drugs into cells.

Contents

Topic 1. General and private pharmacy.lecture (2 hrs.)Topic 2. The absorption of drugs.lecture (2 hrs.)Topic 3. The distribution of medicines in the body. The relationship between dose and concentration of drug.lecture (2 hrs.)Topic 4. The blood-brain barrierlecture (2 hrs.)Topic 5. The biotransformation (metabolism) of medicinal substanceslecture (2 hrs.)Topic 6. The biotransformation of medicinal substances in the liver. Biotransformation Phase I and II.lecture (2 hrs.)Topic 7. Cytochrome P-450 - dependent oxidation reaction.lecture (2 hrs.)Topic 8. Receptorslecture (2 hrs.)Topic 9. The most important types of receptorslecture (2 hrs.)Topic 10. The round table on "Pharmacodynamic type of interaction "practical training (2 hrs.)Topic 11. The round table on the theme "Nerve cells and synapse"practical training (2 hrs.)Topic 12. The round table on the theme "Adrenoceptors"practical training (2 hrs.)Topic 13. The round table on the theme "NO and its biological functions"practical training (2 hrs.)Topic 14. The round table on the theme "Neurotransmitters"practical training (2 hrs.)

Literature

Basic literature:

1. Pharmacology: the textbook for students trained on a specialty 040500 - Pharmacy: for students of medical and pharmaceutical universities, students majoring in "040 500 Pharmacy" / [Alyautdin, R.N., Balabanyan, V.Y., Bondarchuk, N., et al.]; ed. prof. R.N. Alyautdina., 4th ed., Rev. and add..- Moscow GEOTAR Media, 2010.-826 pp.

2. Kharkevich, D.A. Pharmacology: the textbook for medical students / D.A. Harkevich.-Ed. 10th, Corr., Revised. and additional ..- Moscow GEOTAR-Media, 2010.-750 pp.

3. Kharkevich, D.A. Pharmacology: the textbook. - 10 th ed., Rev., Revised. and add. - M.: GEOTAR Media, 2010. - 752 p .: ill. // http://www.studmedlib.ru/book/ISBN9785970408506.html

4. Pharmacology: the textbook / D.A. Kharkevich. - 11 th ed., Rev. and add. - M .: GEOTAR Media, 2013. - 760 p .: ill. http://www.studmedlib.ru/ru/book/ISBN9785970424278.html

5. Pharmacology / Ed. prof. R.N. Alyautdinov. - 4th ed., Rev. and add. - M .: GEOTAR Media, 2013. - 832 pp. // http://www.studmedlib.ru/book/ISBN9785970425183.html

Additional literature:1. Astafyev, V. A. Fundamentals of pharmacology recipe: Learning materials for students of

institutions of secondary vocational education, trained on specialties 060101.52 "Medicine", 060109.51 and 060109.52 "Nursing" discipline "Pharmacology" / V.A. Astafyev. Moscow: KnoRus 2013. 537 pp.

2. Clinical pharmacology textbook for medical students / V.G. Kukes, D.A. Andreev, V.V. Arkhipov. Ed. 4th, Revised. and add. Moscow GEOTAR Media, 2009. - 1052 pp.

3. Environmental Pharmacology [Text: electronic resource]: summary of lectures / M of Education and Science of the Russian Federation, FSAEI HPE "Kazan. (Volga Region) Feder. Univ", Institute of Ecology and Geography; [avt.-Ed.] V.V. Zobov. Electronic data (1 file: 559 KB). (Kazan: Kazan Federal University, 2013). Title from the screen. For 2nd Term of 1st course.Access: Open.

Name of discipline The mechanisms of chemical reactions






Course coordinator

Studying of "The mechanisms of chemical reactions" discipline is based on knowledge of the general course of inorganic, organic and physical chemistry, quantum mechanics

oral Lectures, Practical trainings, seminars

Antipin, I.S.

and chemistry of bachelor and specialties programs

Learning outcomes

After completion of the discipline:1. student must know: modern approaches and methods of research of mechanisms of organic reactions; the

most important mechanisms of organic reactions2. student must be able: to be conversant in information concerning the dynamics of chemical processes; to interpret the experimental data and to make judgments on the reaction mechanism, the

nature of the transition complex, intermediates, etc.3. student must master: common approaches for qualitative and quantitative description and prediction of the

reactivity of organic compounds.4. student must show the ability and willingness: to apply theoretical knowledge in the performance of projects and master's theses

Contents

Topic 1. General concepts of organic reactions and their mechanisms.lecture (2 hrs.)Topic 2. Methods for studying the mechanism of organic reactionslecture (2 hrs.)Topic 3. Basic types of intermediate species.lecture (2 hrs.)Topic 4. Reactivity: structural and solvation effects.lecture (2 hrs.)Topic 5. The nucleophilic substitution at aliphatic series.lecture (2 hrs.)Topic 6. Elimination reaction.lecture (2 hrs.)Topic 7. Electrophilic and nucleophilic substitution of the aromatic series.lecture (2 hrs.)Topic 8. Electrophilic addition on multiple bonds.lecture (2 hrs.)Topic 9. The nucleophilic addition to the C = O multiple bond.lecture (2 hrs.)Topic 10. Round Table "Acids and bases in organic chemistry"practical training (2 hrs.)Topic 11. Round Table "Application of correlation analysis for the mechanism of reactions determination"practical training (2 hrs.)Topic 12. Round Table "Scales of solvation ability of solvents"practical training (2 hrs.)Topic 13. Round table "Orbital interactions in a coordinated and multi-step organic reactions"

practical training (2 hrs.)Topic 14. Round Table "Organometallic reactions"practical training (2 hrs.)

Literature

Basic literature:1. Reutov, O.A. Organic chemistry in 4 parts .: part .: 1: Learning materials for HEI/

O.A.Reutov, A.L.Kurts, K.P.Butin - M .: Binom, 2014.- 567 pp.2. Reutov, O.A. Organic chemistry]: In 4 parts.: part.: 2: Learning materials for HEI/

O.A.Reutov, A.L.Kurts, K.P.Butin - M .: Binom, 2013. The 623-pp.3. Reutov, O.A. Organic chemistry in 4 parts.: part.: 3: Learning materials for HEI/

O.A.Reutov, A.L.Kurts, K.P.Butin - M .: Binom, 2014 -543, [1] pp.4. Reutov, O.A. Organic chemistry in 4 parts.: part.: 4: Learning materials for HEI/

O.A.Reutov, A.L.Kurts, K.P.Butin - M .: Binom, 2014, 722, [4] pp.5. Organic chemistry. Basic course .: Textbook / A.E. Shcherbina, L.G. Matusevich; Ed.

A.E. Shcherbina. - M .: SIC INFRA-M; Mn .: New Knowledge, 2013. - 808 pp. http://znanium.com/bookread.php book=415732

6. Shabarov, S. Organic chemistry. - 5th ed., Sr. - St. Petersburg: Lan, 2011. 848 pp. http://e.lanbook.com/books/element.php pl1_cid=25&pl1_id=4037

7. Toub, M. Mechanisms of inorganic reactions / M. Toub, G. Burgess; transl. from English. El. ed. M: BINOM. Knowledge Laboratory, 2012. 678 pp. : Ill. // http://e.lanbook.com/books/element.php pl1_id=8697

Additional literature:1. Frank-Kamenetskiy, D.A. (David Albertovich). Fundamentals of Macrokinetics. Diffusion

and Heat Transfer in Chemical Kinetics. 4th ed. Intellect Dolgoprudny, 2008. 407 pp.2. Romanovsky, B.V. Fundamentals of of Chemical Kinetics / B.V. Romanovsky - M .:

Examination, 2006. - 415pp.3. Bykov, V.I. Nonlinear models of chemical kinetics / V.I. Bykov, S.B. Tsybenova. Moscow:

URSS: [KRASAND, 2011]. 396 pp.

Name of discipline Chemometrics






Course coordinator

Based on the knowledge obtained during the development of the discipline


Yevtyugin, G.A.

"Mathematical methods in chemistry" и "Fundamentals of computer programming in the application to chemical problems".

Learning outcomes

After completion of the discipline:1. student must know: principles of methods of research in chemistry; The main methods of chemical analysis; The main methods of planning and organization of the experiment; The main methods of innovative development of analytical control of natural and man-

made objects; The relationship of composition, structure and properties of substances and raw

materials; The basic principles of chemical analysis in analytical laboratories;2. student must be able: to use the basic concepts and terminology of chemical analysis in analytical laboratories; to use the mathematical apparatus of statistics in organization of experiment; to use assessment methods of accuracy indicators; to perform calculations of analytical control indicators of natural and man-made objects,3. student must master: Metrological basis of chemical analysis data; Methodology of selection methods of mathematical data processing for chemical

analysis.4. student must show the ability and willingness: To analyze the experimental data using chemometric approaches

Contents

Topic 1. Chemometrics. The object and purpose of chemometrics.lecture (2 hrs.), practical training (2 hrs.)Topic 2. Metrological basis of chemical analysis.lecture (4 hrs.), practical training (4 hrs.)Topic 3. Analysis of variance.lecture (2 hrs.), practical training (2 hrs.)Topic 4. The method of least squares.lecture (2 hrs.), practical training (2 hrs.)Topic 5. Fundamentals of the theory of experiment planning.lecture (4 hrs.), practical training (2 hrs.)Topic 6. The processing of analytical signal.lecture (2 hrs.), practical training (2 hrs.)Topic 7. The multi-component analysis.lecture (2 hrs.), practical training (2 hrs.)Topic 8. Intellectual data analysis and its use in chemometrics.

lecture (2 hrs.), practical training (4 hrs.)

Literature

Basic literature:1. Christian, G. Analytical chemistry: in 2 volumes / G. Christian; transl. from English. A.V.

Garmash [et al.]; enter. Art. Acad. RAS J.A. Zolotov. Moscow: Binom. Knowledge Laboratory, 2013.-; 25 .- (Best Foreign textbook). - [T] 1 vol.2.-2013-623. , 504.

2. Fundamentals of Analytical Chemistry: in 2 volumes: a textbook for university students trained on directions of chemistry / ed. Acad. J.A. Zolotov., 5th ed., Sr .. - Moscow: Academy, 2012.-; Vol 1 - 2012. - 383 pp.

3. Fundamentals of Analytical Chemistry: in 2 volumes: a textbook for university students trained on directions of chemistry / ed. Acad. J.A. Zolotov., 5th ed., Sr .. - Moscow: Academy, 2012.-; Vol 2 - 2012, 407 pp.

4. Zhebentyaev, A.I. Analytical chemistry. Chromatographic methods of analysis: Learning materials / A.I. Zhebentyaev. - M .: SRC Infra-M; Mn .: New Knowledge, 2013. - 206 .: http://znanium.com/bookread.php book=399829

5. Zhebentyaev, A.I. Analytical chemistry. Chemical methods of analysis: Learning materials / A.I. Zhebentyaev, A.K. Zharnasiek, I.E. Talut. - 2nd ed., Sr. - M .: INFRA-M; Mn .: New Knowledge, 2011. - 542 pp. // http://znanium.com/bookread.php book=255394

Additional literature:1. Movchan, N.I., Romanova, R. T, Gorbunov, T.S., and Evgenyeva, I. Fundamentals of

Analytical Chemistry. Chemical methods of analysis: Learning materials: [for the students of technological specialties]. Kazan KNRTU, 2012. 194 pp.

2. Otto, M. Modern methods of analytical chemistry. 2nd Corr. ed. Moscow Technosphere, 2006. -543 pp.

3. Analytical chemistry and physico-chemical analysis techniques: in 2 volumes: a textbook for university students trained on chemical and technological directions / edited. prof. A.A. Ishchenko. Vol 1 Moscow: Academy, 2012. 351 pp.

4. Analytical chemistry and physical and chemical analysis techniques: in 2 volumes: a textbook for university students trained on chemical and technological directions / edited. prof. A.A. Ishchenko. T. 2. Moscow: Academy, 2012. 411 pp.

Name of discipline Intellectual data analysis in chemistry






Course coordinator

Based on the knowledge obtained during the


Madjidov, T.I.

development of the discipline "Mathematical methods in chemistry" и "Fundamentals of computer programming in the application to chemical problems".

Learning outcomes

After completion of the discipline:1. student must know: the main methods of data mining; Mathematical foundations of methods of linear regression, of the partial least squares, of

support vector, of artificial neural networks, of Bayesian methods; operation algorithms of data mining techniques; Restrictions imposed on the data when using different methods of analysis;2. student must be able: to construct various regression and classification pattern using data mining techniques; to select the optimal values of the adjustable parameters of the model; to select the methods for specific tasks; to validate and determine the statistical significance of the model; to use data mining techniques in various applications of chemistry;3. student must master: main programs designed for data mining.4. student must show the ability and willingness: to analyze the database; collate information from different sources. to use data mining techniques in various applications of chemistry

Contents

Topic 1. Basic theory of statistical learninglecture (2 hrs.), practical training (2 hrs.)Topic 2. Multiple linear regressionlecture (2 hrs.), practical training (2 hrs.)Topic 3. The method of principal components and Partial Least Squareslecture (2 hrs.), practical training (2 hrs.)Topic 4. Artificial neural networks.lecture (2 hrs.), practical training (2 hrs.)Topic 5. Decision Trees.lecture (2 hrs.), practical training (2 hrs.)Topic 6. Metric learning methods.lecture (2 hrs.), practical training (2 hrs.)Topic 7. Support Vector Machines (SVM).lecture (4 hrs.), practical training (4 hrs.)Topic 8. Bayesian approach to machine learning. Naive Bayesian classifier.lecture (2 hrs.), practical training (2 hrs.)

Topic 9. Training without a teacher. Clustering.lecture (2 hrs.), practical training (2 hrs.)

Literature

Basic literature:1. Madjidov, T.I. Introduction to cheminformatics: Computer representation of chemical

structures: Learning materials / T.I. Madjidov, I.I. Baskin, I.S. Antipin, A.A. Varnek. - Kazan: Kazan. University Press, 2013. - 174 pp.

2. Stepanov, R.G. Technology of Data Mining: Intelligent data analysis: Learning materials / R.G. Stepanov; Kazan. state. University. Kazan Fed. University, 2009. - 110 pp.

3. Yarushkina, N.G. Intelligent Time Series Analysis: Learning materials / N.G. Yarushkina, T.V. Afanasyev, I.G. Perfilieva. - M .: ID FORUM: INFRA-M, 2012. - 160 p .: http://znanium.com/bookread.php book=249314

4. Baldin, K.V. Information systems in economy: Textbook / K.V. Baldin, V.B. Utkin. - 7th ed. - M.: Dashkov & Co, 2012. - 395 p .:http://znanium.com/bookread.php book=327836

5. Gusev, E.N. Probability theory and mathematical statistics [electronic resource]: Learning materials / E.N. Gusev. - 5th ed., stereotype. - M.: Flinta, 2011. - 220 pp. http://znanium.com/bookread.php book=406064

Additional literature:1. Multivariate data analysis methods applied statistics: Learning materials / S.S. Barkovskii,

V.M. Zakharov, A.M. Lukashov [et al.]; M of Education and Science of Ros. Federation Feder. Education Agency, FSAEI HPE "Kazan. State. tehn. Univ." Kazan: [Kazan State Technical University Publishing House], 2010. 120.

2. Intelligent data analysis for decision support / I.S. Rizayev, Y. Rahal. Kazan: [Publ MOIN RT], 2011. 168.

3. Mathematical statistics: analysis and data processing: Learning materials for students of higher educational institutions / Y.R. Chashkin. Ed. 2nd, Revised. and add. Rostov-on-Don: Phoenix, 2010. 236, [1] pp.

Name of discipline Biochemistry


1 11 weeks obligatory 3 Classroom work - 42, Self-study - 66




Course coordinator


Kazymova, M. A.

Learning outcomes

After completion of the discipline:1. student must know: biochemical characteristics of the main subcellular components of the metabolic

pathways and molecular bases of intracellular processes; main data on catabolism and anabolism of important biological macromolecules, ways of

ensuring a complete reaction of the cells and the mechanisms of metabolic regulation; modern trends of world research in biochemistry and molecular biology;2. student must be able: to search, to analyze, to evaluate and to apply the knowledge gained in the study of other

disciplines and professional activities;3. student must master: theoretical knowledge about the structure, spatial organization, physical and chemical

properties and functions of the main classes of compounds of the living organism: proteins, nucleic acids, carbohydrates, lipids; information on current problems of biochemistry and molecular biology, and global approaches to their resolution.

4. student must show the ability and willingness: To apply their knowledge for the other courses development

Contents

Topic 1. Amino acids. Proteins. Enzymes.lecture (4 hrs.), practical training (4 hrs.)Topic 2. The nucleic acidlecture (4 hrs.), practical training (4 hrs.)Topic 3. The exchange of proteins and amino acids. Exchange nucleotides.lecture (2 hrs.), practical training (2 hrs.)Topic 4. Synthesis of nucleic acids and proteinslecture (4 hrs.), practical training (2 hrs.)Topic 5. Carbohydrates.lecture (4 hrs.), practical training (4 hrs.)Topic 6. Lipidslecture (2 hrs.), practical training (4 hrs.)Topic 7. Vitaminspractical training (2 hrs.)

Literature

Basic literature:1. Colman, J. Visual Biochemistry / J. Colman, K.-G. Remus; transl. from German prof.

Dr.Biol.Sci L.V. Kozlov [et al.]; ed. Dr. P.D. Reshetova, T.I. Sorkinoy.4 ed. -Moscow: Binom. Knowledge Laboratory, 2012.-469 from. -

2. Plakunov, V.K. Fundamentals of Dynamic biochemistry: Learning materials for university students training on the directions "Biochemistry", "Ecology and Nature Management", "Chemical Technology and Biotechnology" on specialties "Biology", "Physiology", "Microbiology", "Biotechnology", "Bioecology "/ V.K. Plakunov, J.A. Nikolayev. Moscow: Logos, 2010. 213.

3. Plakunov, V.K. Fundamentals of dynamic biochemistry [electronic resource]Textbook / V.K. Plakunov, Y.A. Nikolaev. - M .: Logos, 2010. - 216 pp. http://znanium.com/bookread.php book=469367

4. Wilson K., Walker J.. Principles and methods of biochemistry and molecular biology. Binom. Laboratory of knowledge. 2013 -848 pp. http://e.lanbook.com/view/book/8811/

5. Biological Chemistry with exercises and tasks: Textbook / Ed. S.E. Severin. - 2nd ed., Rev. and add. - M .: GEOTAR Media, 2013. - 624 p .: ill. // http://www.studmedlib.ru/book/ISBN9785970425336.html

Additional literature:1. Dimitrov, A.D. Biochemistry [electronic resource]: Learning materials / A.D. Dimitrov, E.D.

Ambroseva. - M .: Publishing and Trading Corporation "Dashkov & Co", 2012. - 168 pp. http://znanium.com/bookread.php book=415230

2. Kovalenko, L.V. Biochemical fundamentals of chemistry of biologically active substances. Moscow Binom. Knowledge Laboratory, 2010. 228 pp. http://e.lanbook.com/books/element.php pl1_cid=25&pl1_id=3160

3. Fundamentals of Biochemistry Lehninger in 3 volumes / D. Nelson, M. Cox transl. from English. T.P. Masolova [et al.] T. 1. Structure and catalysis. Moscow: Binom. Knowledge Laboratory, 2012. 694 pp.

Name of discipline Modern theories of chemical bonding






Course coordinator

Based on the main sections of general scientific disciplines: "Advanced Mathematics", "Physics", "Non-organic chemistry".

oral Lectures, Practical trainings

Shtyrlin, V.G.

Learning outcomes

After completion of the discipline:1. student must know: basics of geometrical and algebraic approach to the theory of symmetry for molecules

and solids; basics of modern methods of the chemical bond describing; Representation of features of various types of chemical bonding in gaseous phase and in

condensed state.2. student must be able:

to analyze results of calculations of chemical bonding agents parameters in different aggregative states;

to be conversant in the literature regarding the descriptions of the different types of chemical bonds.

3. student must master: description of molecular symmetry and solids; Calculating the parameters of chemical bonding agents in different aggregative states.4. student must show the ability and willingness: to apply geometric and algebraic approaches to the theory of symmetry for the

characterization of molecules and solids; to use modern description methods of the basics of chemical bonding of molecules and

supramolecular structures of solids; to discuss the characteristics of different types of chemical bonds in gaseous phase and

in the condensed state; to analyze results of calculations of parameters of chemical bonding agents in different

aggregative states; to be conversant in the literature regarding the descriptions of the different chemical

bonds types; to calculate the parameters of chemical bonding agents in different aggregative states.

Contents

Topic 1. The symmetry theory in reference to the problems of chemical bonding: a geometric approachlecture (2 hrs.), practical training (2 hrs.)Topic 2. The symmetry theory in reference to the problems of chemical bonds in molecules: algebraic approach (group theory).lecture (2 hrs.), practical training (2 hrs.)Topic 3. The theory of symmetry in reference to the problems of chemical bonding in solids.lecture (2 hrs.), practical training (2 hrs.)Topic 4. Quantum chemistry of molecules: fundamentals.lecture (2 hrs.), practical training (2 hrs.)Topic 5. Quantum chemistry of molecules: calculations by the density functional structures.lecture (2 hrs.), practical training (2 hrs.)Topic 6. Description of the molecules in the theory of Bader's "Atoms in Molecules".lecture (2 hrs.), practical training (2 hrs.)Topic 7. Calculations of structures of molecules adjusted for the effects of the medium.lecture (2 hrs.), practical training (2 hrs.)Topic 8. Chemical bond in coordination compounds.lecture (2 hrs.), practical training (2 hrs.)Topic 9. The electronic structure of solids.lecture (2 hrs.), practical training (2 hrs.)Topic 10. Quantum-chemical analysis of intermolecular interactions.lecture (2 hrs., practical training (4 hrs.)

Literature

Basic literature:

1. Ermakov, A.I. Quantum Mechanics and Quantum chemistry: Learning materials: for university students training on the specialty 020101.65 HPE "Chemistry" / A.I. Ermakov. Moscow: Yurayt 2014. 555.

2. Tsirelson, V.G. Quantum chemistry. Molecules, molecular systems and solids. 2nd edition. - M .: Binom. Knowledge Laboratory, 2012. - 496 pp. http://e.lanbook.com/books/element.php pl1_id=3150

3. Kochelaev, B.I. Quantum Theory: Lecture notes / B.I. Kochelaev; Kazan. Fed. Univ, Physics Department -Kazan: Kazan Federal University, 2009 .; part. 1 - 99.

4. Madjidov, T.I. Cheminformatics and molecular modeling: the distance learning course for bachelor and master students on direction of training: 020100 "Chemistry" [Electronic resource]. Golf "Zilant" KFU EMS 2013. // http://zilant.kpfu.ru/course/view.php id=376

Additional literature:1. Holland A. (Arne). Molecules and Models: the molecular structure of compounds of the

main groups elements. Moscow URSS [KRASAND, 2011. 382 pp.2. Sirotkin R. O., Sirotkin, O.S. Chemical bond: Learning materials for the discipline

"Chemistry". Kazan [Kazan State Power Engineering University], 2010. 50 pp.3. Gabuda, S.P., Kozlova, S.G. Ione pair and a chemical bond in the molecular and ionic

crystals: multinuclear NMR spectroscopy, magnetochemistry, electronic correlation, interaction and relativistic effects. Novosibirsk Publishing House of the Siberian Branch of the Russian Academy of Sciences, 2009. 164 pp.

Name of discipline Molecular modeling






Course coordinator

Based on the knowledge obtained during the development of the discipline "Mathematical methods in chemistry" и "Fundamentals of computer programming in the application to chemical problems", "Object-oriented

oral Lectures, Practical trainings, seminars, creative task

Madjidov, T.I.

programming", "ABC of chemistry", "Biochemistry"

Learning outcomes

After completion of the discipline:1. student must know: basic concepts, definitions, approaches and methods used in molecular modeling force

fields; perceptions underlying modeling of molecular dynamics; The possibility of the implementation of computer molecular modeling and typical

problems solved; functional form and the nature of the molecular interaction potential; Form of the equations of motion, ways to address the impact of the external environment

and the availability of different boundary conditions; Basic algorithms for numerical integration of the equations of motion of a molecular

system; The place and role of molecular modeling in chemistry and biology;2. student must be able: to formulate a model representation of molecular objects and the possibility of organizing

computational molecular dynamics experiments with it; to perform calculations for model molecular systems using different software; to treat the results of molecular dynamics simulations;3. student must master: methods and basic software for molecular modeling with force fields techniques.4. student must show the ability and willingness: The ability to independently formulate and solve problems related to the simulation of

complex systems

Contents

Topic 1. Introduction to the discipline.lecture (2 hrs.)Topic 2. Force fields.lecture (2 hrs.), practical training (2 hrs.)Topic 3. The minimization of potential energy.lecture (2 hrs.), practical training (2 hrs.)Topic 4. Fundamentals of statistical thermodynamics.lecture (2 hrs.), practical training (2 hrs.)Topic 5. Molecular Dynamics.lecture (2 hrs.), practical training (2 hrs.)Topic 6. Special conditions in molecular modeling.lecture (2 hrs.), practical training (4 hrs.)Topic 7. The use of molecular modeling.lecture (2 hrs.), practical training (2 hrs.)

Literature

Basic literature:1. Helte, H.-D. et al. Molecular Modeling: Theory and Practice: ed. V.A. Palyulin and E.V.

Radchenko; transl. from English. - M: Binom. Knowledge Laboratory, 2009.-318pp.2. Madjidov, T.I. Introduction to cheminformatics: Computer representation of chemical


3. Madjidov, T.I. Cheminformatics and molecular modeling: the distance learning course for bachelor and master students on direction of training: 020100 "Chemistry" [Electronic resource]. Golf "Zilant" KFU EMS, 2013. // http://zilant.kpfu.ru/course/view.php id=376

4. Wilson, K., Walker, J.. Principles and methods of biochemistry and molecular biology. Binom. Laboratory of knowledge. 2013 -848 pp. http://e.lanbook.com/view/book/8811/

Additional literature:1. Frankel, D. (Daan), and Smith, B. Principles of computer simulation of molecular

systems: from algorithms to applications. Moscow Scientific World, 2013. 559 pp.2. Mathematical and computer modeling in biology and chemistry. Prospects for

development: II International Scientific Internet Conference. Kazan, September 24, 2013: Proceedings of the conference: in 2 volumes. V.1. Kazan, 2013. 142 pp.

3. Mathematical and computer modeling in biology and chemistry. Prospects for development: II International Scientific Internet Conference. Kazan, September 24, 2013: Proceedings of the conference: in 2 volumes. V.2. Kazan, 2013. 143 pp.

Name of discipline Fundamentals of computer programming in the application to chemical problems






Course coordinator

Basic knowledge of computer science

Implementation of individual project

Practical trainings Mukhtarova, T.M.

Learning outcomes

After completion of the discipline:1. student must know: algorithmization basic concepts; The syntax of the Python programming language; Principles of programming.2. student must be able: to develop algorithms for solving problems in the form of pseudo-code and record them in

the Python programming language; to apply the basic algorithms that are the basis for more complex tasks; to work with basic commonly used data structures such as arrays, strings, two-

dimensional arrays, structures; to create programs for the implementation of basic linear algebra operations (addition,

multiplication of vectors, matrices, computation of eigenvalues and eigenvectors of matrices, etc.) used for chemical problems solving;

to create custom search program for sampling and combining other data that are stored in files;

to break the program into separate parts and arrange them in the form of user-defined functions;

to use available library functions3. student must master: skills in IDE PyScripter;4. student must show the ability and willingness: To be able to solve tasks.

Contents

Topic 1. Algorithm.practical training (4 hrs.)Topic 2. Basics of Python.practical training (4 hrs.)Topic 3. Modular programming.practical training (4 hrs.)Topic 4. Functional programming.practical training (4 hrs.)Topic 5. The processing sequencespractical training (4 hrs.)Topic 6. Numerical algorithms. Matrix calculations.practical training (4 hrs.)Topic 7. Word Processing. Regular expressions.practical training (4 hrs.)

Literature

Basic literature:1. Guseva, E.N. Computer Science [electronic resource]: Learning materials / E. Guseva

and others. - 3rd ed., stereotype. - M.: Flinta, 2011. - 260 pp. http://znanium.com/bookread.php book=406040

2. Kaymin, V.A. Computer Science: Textbook / V.A. Kaymin; The Ministry of Education of the Russian Federation. - 6th ed. - M .: INFRA-M, 2010. - 285 p .:http://znanium.com/bookread.php book=224852

3. Andrianova, A.A. Object-oriented programming in C ++. Part 1, Part 2 / A.A.Andrianova, L.N.Ismagilov, T.M.Muhtarova. - Kazan: Kazan Federal University, 2010.- 124 pp., 116 pp.

4. Solovyov, I.A. Computational Mathematics for smartphones, communicators and laptops using Python software environments / I.A. Solovyov, A.V. Chervyakov, A.Y. Repin - M .: "Lan", 2012 - 272 pp. // http://e.lanbook.com/books/element.php pl1_cid=25&pl1_id=667

Additional literature:

1. Andrianova, A.A. , Mukhtarov, T.M. Practical course "Algorithmic and programming." Part 1 - Kazan Federal University, 2008.- 96 pp.

2. Andrianova, A.A. , Ismagilov, L.N., Mukhtarov, T.M. Practical course "Algorithmic and programming." Part 2 - Kazan Federal University, 2009.- 132 pp.

3. Computer Science. Basic Course: Learning materials for students of higher technical educational institutions / ed. Simonovich S.V.. 2nd ed. St. Petersburg [et al.] Peter, 2008. 639 pp.

Name of discipline Computers, operating systems and networks






Course coordinator

The discipline "Computer operating systems and networks" does not suggest any prior knowledge of informatics


Zhiznevskiy, A.N.

Learning outcomes

After completion of the discipline:1. student must know: get acquainted with the basic concepts of computer science;2. student must be able: To work with any software3. student must master: practical skills of computer exploitation.4. student must show the ability and willingness: The ability to solve tasks.

Contents

Topic 1. INFORMATION. Information and message. Methods of presenting information. Perception of information and sensors. Registration and media. Transmission of information. Information processing.lecture (2 hrs.), practical training (2 hrs.)Topic 2. Computers & Software. The main stages of development of computer technology.

Electronic devices and circuits. Main memory. Arithmetic and logic unitlecture (2 hrs.), practical training (2 hrs.)Topic 3. The control unit and the principle. Cache memory. Increasing ECTSU performancelecture (2 hrs.), practical training (2 hrs.)Topic 4. Input and output. Tires and chipsetspractical training (2 hrs.)Topic 5. Automation software. Classification. Computerization and its causes. Networkslecture (2 hrs.), practical training (2 hrs.)Topic 6. Introduction to Operating Systems. Single-tasking mode. Multitasking. Management processes. Memory managementlecture (2 hrs.), practical training (6 hrs.)Topic 7. Application Programming Interface. User interface. Securing informationpractical training (2 hrs.)

Literature

Basic literature:1. Guseva, E.N. Computer Science [electronic resource]: Learning materials / E.N. Guseva

and others. - 3rd ed., stereotype. - M.: Flinta, 2011. - 260 pp. http://znanium.com/bookread.php book=406040

2. Kaymin, V.A. Computer Science: Textbook / V.A. Kaymin; The Ministry of Education of the Russian Federation. - 6th ed. - M .: INFRA-M, 2010. - 285 p .:http://znanium.com/bookread.php book=224852

3. Olifer, V.G. Computer Networks: Learning materials for university students trained on direction of "Computer Science and Computer Science", and the field of "Computers, complexes, systems and networks", "Automated machines, complexes, systems and networks", "Computer software and automated systems. "Principles, technologies, protocols / Olifer V., N. Olifer. 4th ed. St. Petersburg [et al.] Peter, 2014. 943 pp.

4. Olifer, V.G. Computer networks, principles, technologies, protocols: Learning materials for university students trained on direction of "Computer Science and Computer Science", and the field of "Computers, complexes, systems and networks", "Automated machines, complexes, systems and networks", "Software computer technology and automated systems"/ V. Olifer, N. Olifer. 4th ed .. St. Petersburg [et al.]: Peter, 2012. 943pp .:

5. Stahnov, A.A. Linux: 4th ed., Rev. and add. SPb .: BHV-Petersburg, 2011 738 .: http://znanium.com/bookread.php book=355362

Additional literature:1. Laboratory workshop on computer science: Learning materials for students trained on

direction of "Computer Science and Computer Science" / [V.S. Mikshina et al.]; ed. prof. V.A. Ostreykovskiy.-Ed. 3rd stereotype ..- Moscow: Higher School, 2008.-375 p .: ill.

2. Workshop on the computer science: teaching manual. part 2. / Kazan. state. Univ. Physics Dept.; [Ed .: Cand.Phys.Math.Sci. A.A. Zhuravlev, Cand.Phys.Math.Sci. Y.M. Stenin, Dr.Phys.Math.Sci., doc. O.G. Hutorova]. Kazan: [Fed. University], 2007. - 20 pp.

3. Yashin, V.N. Computer Science: Hardware PC: Learning materials for students of higher educational institutions trained on a specialty "Applied Computer Science (by regions)" and other special / V.N. Yashin. Moscow: INFRA-M, 2011-252 .: il.

Name of discipline Object-oriented programming


1,2 14 weeks (obligatory, elective)





Course coordinator

Basic knowledge of computer science

Implementation of individual project or

problem solving

Lectures, Practical trainings

Andrianova, A. A., Mukhtarova, T. M.

Learning outcomes

After completion of the discipline:1. student must know: the syntax and semantics of the C, C ++ and Java programming languages; Basic algorithms datasets; principles of structured programming; principles of object oriented programming.2. student must be able: to select an algorithm for solving the problem and record it on the C, C ++ and Java

programming languages; to have skills of the programming in the style of structured programming in the form of a

set of user-defined functions; to be able to apply basic algorithms of data processing; to apply GUI applications; to implement applets and servlets used in web-applications.3. student must master: skills to write algorithms in C, C ++ and Java programming languages; skills to use arrays, files, more complex data structures in algorithms.4. student must show the ability and willingness: The ability to solve tasks.

Contents

Topic 1. . Basic concepts of C and C ++.lecture (4 hrs.), practical training (2 hrs.)Topic 2. Data Structureslecture (4 hrs.), practical training (2 hrs.)Topic 3. Use of fileslecture (4 hrs.), practical training (2 hrs.)Topic 4. The concept of structured programming.lecture (6 hrs.), practical training (4 hrs.)Topic 5. Basics of JAVAlecture (2 hrs.), practical training (4 hrs.)

Topic 6. The concept of of object oriented programming.lecture (4 hrs.), practical training (8 hrs.)Topic 7. Work in the Internet for Java-applicationslecture (4 hrs.), practical training (4 hrs.)Topic 8. Passpractical training (2 hrs.)

Literature

Basic literature:1. Andrianova, A.A. Praktical course "Algorithmic and programming." Part 1

/A.A.Andrianova, T.M.Muhtarova. - Kazan Federal University, 2008.- 96 pp. // http://libweb.ksu.ru/ebooks/09_63.pdf

2. Andrianova, A.A. Practical course "Algorithmic and programming." Part 2 / A.A.Andrianova, L.N.Ismagilov, T.M.Muhtarova. - Kazan Federal University, 2009.- 132 pp. // http://libweb.ksu.ru/ebooks/09_64_ds018.pdf

3. Andrianova, A.A. Object-oriented programming in C ++. Part 1 / A.A.Andrianova, L.N.Ismagilov, T.M.Muhtarova. - Kazan: Kazan Federal University, 2010.- 124 pp.


5. Habibullin, I. S. Java Technology: training and reference manual / Habibullin I. S. Kazan: Kazan University, 2010. 210 pp.

6. Nemtsova, T.I. Programming in high level language. Programming in C ++: Learning materials / Ed. L.G.Gagarina - M .: ID FORUM: INFRA-M, 2012. - 512 pp. // Http://znanium.com/bookread.php book=244875

7. Monahov, V.V. Java programming language and the NetBeans environment. 3rd ed., Rev. and add. SPb .: BHV-Petersburg, 2011 703. http://znanium.com/bookread.php book=355260

Additional literature:1. Pinyagina, O.V. Kashin, O.A., Andrianova, A.A. Practical work on programming in Java .:

Learning materials / O.V. Pinyagina, O.A. Kashin, Andrianova, A.A. - Kazan State University, 2007. - 141 pp.

2. Kultin, N.B. C++: problems and examples. / N.B. Kultin. - St. Petersburg: BHV-Petersburg, 2007. - 240 pp. http://znanium.com/bookread.php book=350373

3. Wirth, N. Algorithms and Data Structures. The new version of Oberon. - Moscow: DMK Press, 2014. -272 pp.

Name of discipline Software Management






Course coordinator

The knowledge necessary for studying the discipline are acquired during studying the following disciplines: "Fundamentals of computer programming in the application to chemical problems", "Computers, operating systems and networks", "Object-oriented programming", "Web Technologies in Chemistry".

group project Lectures, discussions Miniakhmetov, E.R.

Learning outcomes

After completion of the discipline:1. student must know: basic methods and techniques to improve the code, typical mistakes made during programming that lead to slow down or impair code

readability.2. student must be able: to optimize the code and improve its readability, to conduct debugging, to create versions of the code during working on it, to create the code in a team of developers, to create the code which allows its easy understanding, editing, revision, and working, to configure the correct installation of the program on the operating system3. student must master: methods of debugging, refactoring, versioning, and code optimization4. student must show the ability and willingness: to conduct developments of code to improve the speed, readability and editing

Contents

Topic 1. Basic problems and mistakes in code writinglecture (2 hrs.)Topic 2. Writing the correct code. Versioninglecture (6 hrs.)Topic 3. Code refactoringlecture (6 hrs.)Topic 4. Code optimizationlecture (4 hrs.)Topic 5. Debugginglecture (4 hrs.)

Topic 6. Compilation and Installation of programslecture (4 hrs.)Topic 7. Development of program in teamlecture (2 hrs.)

Literature

Basic literature:1. Andrianova, A.A. , Ismagilov, L.N., Mukhtarov, T.M. Practical course "Algorithmic and

programming." Part 2 - Kazan Federal University, 2009.- 132 pp.2. Andrianova, A.A. , Ismagilov, L.N., Mukhtarov, T.M. Practical course "Algorithmic and

programming." Part 2 - Kazan Federal University, 2009.- 132 pp. // Http://libweb.ksu.ru/ebooks/09_64_ds018.pdf



5. Olifer, V.G. Computer Networks: Learning materials for university students trained on direction of "Computer Science and Computer Science", and the field of "Computers, complexes, systems and networks", "Automated machines, complexes, systems and networks", "computer software and automated systems. "Principles, technologies, protocols / Olifer V., N. Olifer. 4th ed. St. Petersburg [et al.] Peter, 2014. 943 pp.

6. Olifer, V.G. Computer networks, principles, technologies, protocols: Learning materials for university students trained on direction of "Computer Science and Computer Science", and the field of "Computers, complexes, systems and networks", "Automated machines, complexes, systems and networks "" Software computer technology and automated systems "/ V. Olifer, N. Olifer. 4th ed .. St. Petersburg [et al.]: Peter, 2012. 943pp

7. Chernikov, B.V. Quality Management of softwareTextbook / B.V. Chernikov. - M .: ID FORUM: INFRA-M, 2012. - 240 pp .: http://znanium.com/bookread.php book=256901

8. Applied Information Technology: Learning materials / Fedotova, E.L. Portnov, E.M. - M .: ID FORUM: SRC INFRA-M, 2013. - 336 p .: 60x90 1/16. - (Higher Education). http://www.znanium.com/bookread.php book=392462

Additional literature:1. Safin, R.G., Zamalova, R. T., Khismatov, R.G. Modern Information Technology: Learning

materials. Kazan KNRTU Publishing, 2013. 83 pp.2. Goncharov, V.A. Optimization Methods: Learning materials for university students trained

on 010501 (010200) "Applied Mathematics and Computer Science" (Specialist), 230105 (220400) "Software computer technology and automated systems" ( Specialist), 010500 (510200) "Applied Mathematics and Computer Science" (BA), 010200 (511200) "Mathematics. Applied Mathematics" (Bachelor) 011,000 (511,300) "Mechanics. Applied Mathematics" (Bachelor) 010,300 (511,800) "Mathematics. Computer Science" (BSc). Moscow Yurayt Higher Education, 2010. 190 pp.

3. Grinchenkov, D.V., Pototsky, S.I. Mathematical logic and theory of algorithms for programmers: Learning materials for students of higher educational institutionstrained on specialty "Software computer technology and automated systems" Directions of training "Computer Science and Computer Science". KnoRus Moscow, 2010. 206 pp.

Name of discipline Internet-based technologies


3 14 weeks obligatory 2 Classroom work - 28, Self-study -44




Course coordinator

Discipline is based on the knowledge acquired by students in the course of studying of "Web technologies in chemistry", "Computers, operating systems and networks", "Fundamentals of computer programming in the application to chemical problems", "Object-oriented programming", "Database Management", "Software Management"


Kashina, O.A.

Learning outcomes

After completion of the discipline:1. student must know: the current state of the "World Wide Web" as the main components of the Internet; Modern technologies of development, support and promotion and using of web-based

applications; Principles of operation of web services, their capabilities and development prospects; The basic principles of XML technology as a universal markup language of web

documents;2. student must be able:

to take an advantages from Java technology; to have skills of the structured programming in the form of a set of user-defined

functions; to be able to apply basic algorithms of data processing; to apply GUI applications;

3. student must master:

primary skills to use HTML5 web application development; primary skills of creating java-applet skills in the use of CML language as a technology of web documents Chemical Markup

based on Java and XML

Contents

Topic 1. Internetlecture (2 hrs.)Topic 2. Review of modern technologieslecture (2 hrs.)Topic 3. The concept of a Web service.lecture (2 hrs.)Topic 4. HTML5 Language as the main technology used in the Internet.lecture (4 hrs.), practical training (2 hrs.)Topic 5. The foundations of ASP.NET technology. lecture (2 hrs.), practical training (2 hrs.) Topic 6. The foundations of Java technology. lecture (2 hrs.), practical training (2 hrs.) Topic 7. The foundations of XML technology lecture (2 hrs.), practical training (2 hrs.) Topic 8. Chemical MarkUp Language usinglecture (2 hrs.), practical training (2 hrs.)

Literature

Basic literature:1. Pinyagina, O.V. Kashin, O.A. Management of IT-services and content: the distance

learning course for students of the Master's program "Cheminformatics and molecular modeling." Golf "Zilant" KFU EMS, 2013. // http://zilant.kpfu.ru/course/view.php id=17342

2. Pinyagina, O.V. Development of an electronic shop on PHP and MySQL: [Learning materials] / O.V. Pinyagina; Kazan (Volga Region). Feder. Univ, Computational Mathematics and Cybernetics Dept.-Kazan [KFU], 2011 104.

3. Pinyagina, O.V. Development of Web-ARM for ASP.NET: [Learning materials] / O.V. Pinyagina; Kazan (Volga Region). Feder. Univ, Computational Mathematics and Cybernetics Dept., Kazan: Kazan University, 2012 95.

4. Internet technology in the knowledge economy: Textbook / Ed. N.M. Abdikeev. - M .: INFRA-M, 2010. - 448 pp. http://znanium.com/bookread.php book=183461

5. Nemtsova, T.I. Computer graphics and web-design: Learning materials / T.I. Nemtsova, T.V. Kazankova, A.V. Shnyakin. - M .: ID FORUM: SRC INFRA-M, 2014. - 400 p .: http://znanium.com/bookread.php book=458966

Additional literature:1. Thorsteinson, P. Molyavko, S. M., Ganesh, J., Gnana Arun, Horev, V.D. Сryptography

and security in .NET technology. Moscow Binom. Knowledge Laboratory, 2013. 479 pp. http://e.lanbook.com/books/element.php pl1_id=8767 ER

2. Web-design examples and problems: Learning materials for university students trained on the specialty 080801 "Applied Computer Science" and on other economic specialties / D.A. Evseev, V.V. Trofimov; ed. prof. V.V. Trofimov; , St. Petersburg. state. Univ of Economy and Finance. Moscow: KnorRus 2009. 263 pp.

3. Gasanov, E.V. Workshop on Web-design: Pract. Course of Web-sites development.

Moscow [TEIS], 2006. 158 pp.

Name of discipline Web Technologies in Chemistry


2 14 weeks obligatory 2 Classroom work - 28, Self-study -44




Course coordinator

Discipline is based on the knowledge acquired by students in the course of studying of "Computers, operating systems and networks", "Fundamentals of computer programming in the application to chemical problems", "Object-oriented programming", "Database Management," "Software management."


Kashina, O.A.

Learning outcomes

After completion of the discipline:1. student must know: History and development of the Internet (WWW), the story of the creation of client-server

applications and software technologies for the Internet; The challenges and opportunities of the Internet, the basic principles of interaction

between client and server;2. student must be able: to focus on software market for the development of web-applications, web-sites, for

wweb-sites management and navigating in WWW, as well as in the literature (including network resources) on Internet technology;

3. student must master: skills to develop simple web-sites, including interactive components, server-side scripts

(php) providing dynamic generation of content, vector graphics (chemical formula); The use of chemical skills of Internet resources.4. student must show the ability and willingness: Working with Internet кesources

Contents

Topic 1. Introduction.lecture (2 hrs.)Topic 2. Internet resources and their classification.lecture (2 hrs.)Topic 3. HTML language as the basis of a web document.lecture (2 hrs.), practical training (2 hrs.)Topic 4. The possibility of using style purposeslecture (4 hrs.), practical training (2 hrs.)Topic 5. The concept of the website. The concept of the Web server.lecture (4 hrs.), practical training (2 hrs.)Topic 6. Basics of Chemical MarkUp Language.lecture (2 hrs.), practical training (2 hrs.)Topic 7. Publishing Web sites on the Internet.lecture (2 hrs.), practical training (2 hrs.)

Literature

Basic literature:1. Kolisnichenko, D.N. PHP 5/6 and MySQL 6. Development of Web-based applications. -

3rd ed., Rev. and add. - SPb .: BHV-Petersburg, 2011. - 520 pp. // http://znanium.com/bookread.php book=355327

2. Vasilev, V.V., Sorokoletova, N.V., Hlivnenko, L.V. Workshop on Web-technologies. - M .: Forum, 2009. - 416 pp. // http://znanium.com/bookread.php book=166294

3. Nemtsova, T.I. Computer graphics and web-design: Learning materials / T.I. Nemtsova, T.V. Kazankova, A.V. Shnyakin. - M .: ID FORUM: SRC INFRA-M, 2014. - 400 s .: http://znanium.com/bookread.php book=458966

4. Pinyagina, O.V., Kashina, O.A. Management of IT-services and content: the distance learning course for students of the Master's program "Cheminformatics and molecular modeling." Golf "Zilant" KFU EMS, 2013. // http://zilant.kpfu.ru/course/view.php id=17342 Additional literature:

1. Evseev, D.A. Web-design examples and problems: Learning materials for university students trained on a specialty 080801 "Applied Computer Science" and other economic specialties / D.A. Evseev, V.V. Trofimov; ed. prof. V.V. Trofimov; , St. Petersburg. state. Univ of Economy and Finance. Moscow: KnorRus, 2009. - 263 pp.

2. Gasanov, E.V. Workshop on Web-design: Pract. Course of Web-sites development. Moscow [TEIS], 2006. 158 pp.

3. Gasanov, E.V. Collection of tasks for practical training on Web-design and guidelines for its implementation. Moscow [TEIS], 2006. 93 pp.

Name of discipline Mathematical methods in chemistry






Course coordinator

Teaching is based on the main sections of general scientific disciplines, acquired during studying the following disciplines of bachelor and specialties programs: Advanced Mathematics

Oral+ task solving Lectures, Practical trainings

Lerner, E.Y.

Learning outcomes

After completion of the discipline:1. student must know: basic algebraic structures employed in chemical applications basis of analysis and geometric methods for studying the asymptotic behavior of

differential equations; Statistical methods of data processing, in particular, the method of principal components

and research techniques of dependencies.2. student must be able: to operate with algebraic and analytic objects occurring in chemical applications; to understand the geometric meaning of multidimensional algebraic objects and

mathematical analysis of structures; to conduct primary statistical data processing and understand their probabilistic nature; to reduce the dimension of the original data without significant information loss; to investigate empirical relationships (using mathematical statistical methods).3. student must master: algebraic skills, functional-analytical and statistical literacy; Ability to apply their skills in existing software (packages of analytic calculations).4. student must show the ability and willingness: To solve the problem posed.

Contents

Topic 1. The set: finite, infinite; display: in, on (injection, surjection), the concept of one-

to-one mapping (bijection). The concept of group, neutral, reverse element of the concept of commutative groups. Examples: permutation group, maps, integers (additive), rational (non-zero) under multiplication. Groups on the set of real numbers. The concept of the field, the field of rational and real numbers, the other fields (the final and complete). Basics of MATLAB (Matlab as a scientific calculator. Command Window. Operations with numbers. Data Types. Basic operations on arrays. Input array indiceslecture (2 hrs.), practical training (2 hrs.)Topic 2. The linear space, examples of linear spaces over the real field (space vectors, matrices, special classes of matrices). A linear combination, basis and dimension of a linear space. Theorem about the equivalence of any finite-dimensional linear space over the reals space R ^ n. Operations to work with matrices in MATLAB (operators piecemeal addition / subtraction of matrices, operators piecemeal division / multiplication of matrices, matrix multiplication operator on a vector, matrix-matrix operators right / left division of matrix.practical training (2 hrs.)Topic 3. Subspaces of a linear space. The ratio of the dimensions of the original space and subspace. The geometric meaning of examples. Linear display in a fixed basis, the correspondence between linear mappings and matrices. The composition of linear maps and matrix product. Systems of linear equations with non-degenerate matrices and common ways of their solution. Solution of linear algebraic equations. Control operators. Boolean operators. Operators of the cycle.lecture (2 hrs.), practical training (2 hrs.)Topic 4. The inverse mapping and inverse matrix. The set of non-singular matrices and linear maps as a group. Examples of their subgroups. The concept of a scalar product, orthogonal and orthonormal basis. The angle between the vectors, square and volume of R ^ n. Built-in functions in the Matlab. Colon operatorlecture (2 hrs.), practical training (2 hrs.)Topic 5. The eigenvalues and eigenvectors. The theorem on the real eigenvalues of symmetric matrices and orthogonality of eigenvectors for different eigenvalues.) Private directories. M-files.lecture (2 hrs.)practical training (2 hrs.)Topic 6. Fundamentals of analysis. The concept of integral and arbitrary, and their geometric meaning. The generalization to the multidimensional case. Gradient as the main direction of decreasing. The concept of differential equations and geometric methods for studying the asymptotic behavior of solutions of differential equations. Programming in MATLAB. Creating custom functionslecture (2 hrs.), practical training (2 hrs.)Topic 7. The basic laws of distribution of random variables and methods for their assignment. The density and the distribution function of the random variable. Examples: uniform, normal, exponential distribution. Visualization of calculations in MATLAB. Analysis of results.lecture (2 hrs.), practical training (2 hrs.)Topic 8. Sampling, histogram, the relationship between probabilistic and statistical objects. The methods of experimental data processing. Sample Average and the dispersion. The normalization of the sample data and its geometrical meaning. Covariance as the scalar product and the correlation as the cosine of the angle between the vectors. Implementation methods of experimental data processing in Matlablecture (2 hrs.), practical training (2 hrs.)Topic 9. The method of least squares and its geometrical meaning in the space of attributes dimension and in the space of number of observations dimension. Output of the basic formula of multiple regression based on the projection onto the subspace

generated by the vectors-attributes. Iterative methods for solving problems.lecture (2 hrs.), practical training (2 hrs.)Topic 10. Sample covariance and correlation matrices and their properties. The method of singular value decomposition. The use of the singular value decomposition - the main component for dimension features reducing and for observations classifying. The implementation of iterative methods for solving problems in MATLABlecture (2 hrs.), practical training (4 hrs.)

Literature

Basic literature:1. Vukolov, E.A. Fundamentals of statistical analysis. Practical work on statistical methods

and operations research using STATISTICA packets and EXCEL: Learning materials / E.A.Vukolov - 2nd ed., Rev. and add. - M .: Forum: SRC Infra-M, 2013. - 464 pp. http://znanium.com/bookread.php book=369689

2. Baldin, K.V. Probability theory and mathematical statistics [electronic resource]: Tutorial / K.V. Baldin and V.N. Bashlykov, A.V. Rukosuev. - 2nd ed. - M .: Dashkov &Co, 2010. - 473 pp. http://znanium.com/bookread.php book=414902

3. Kozlov, A.Y. Statistical analysis of the data in MS Excel: Learning materials / A.Y. Kozlov, V.S. Mkhitaryan, V.F. Shishov. - M .: INFRA-M, 2014. - 320 p .:http://znanium.com/bookread.php book=429722

Additional literature:1. Porshnev, S.V. Computer simulation of physical processes in the MATLAB package:

Learning materials: [for students studying in the Mathematics, Computer Science, Physics fields] / S.V. Porshnev. Edition 2, revised. -Sankt Petersburg [et al.] Lan, 2011.-736 pp. http://e.lanbook.com/books/element.php pl1_cid=25&pl1_id=650

2. Budnikova, I.K. Statistical forecasting techniques: a teaching aid for practical training. Kazan [Kazan State Power Engineering University], 2011. 99 pp.

3. Chashkin, R. Y. (Yuri Romanovich). Mathematical statistics: analysis and data processing: Learning materials for students of higher educational institutions. Ed. 2nd, Revised. and add. Rostov-on-Don Phoenix, 2010. 236 pp.

Name of discipline Database Management


2 14 weeks (obligatory, elective)





Course coordinator

This discipline is a logical continuation of a series of courses studied by students of


Pinyagina, O.V.

Master's program direction "Cheminformatics", including "Fundamentals of computer programming in the application to chemical problems", "Computers, operating systems and networks."

Learning outcomes

After completion of the discipline:1. student must know: opportunities, prospects and problems of the use of database management systems;2. student must be able: to apply skills of the SQL language using to formulate and to execute databases queries.3. student must master: theoretical knowledge about programming techniques for databases, the basics of using

a client-server applications;4. student must show the ability and willingness: To apply the theoretical knowledge and practical skills to work with modern database

management systems.

Contents

Topic 1. Introduction to the database (DB).lecture (1 hrs.)Topic 2. Database Designlecture (1 hrs.), practical training (2 hrs.)Topic 3. Relational algebralecture (2 hrs.), practical training (2 hrs.)Topic 4. The theory of normalizationlecture (2 hrs.), practical training (2 hrs.)Topic 5. Language means of modern DBMS.lecture (2 hrs.), practical training (10 hrs.)Topic 6. Database Security.lecture (2 hrs.), practical training (2 hrs.)

Literature

Basic literature:1. Pinyagina, O.V. Practical course "Databases": [Learning materials] / O.V. Pinyagina, I.A.

Fukin; Kazan (Volga Region). Feder. Univ. Kazan: Kazan University, 2012. 91 [1] pp.2. Kultygin, O.P. Database Administration. DBMS MS SQL Server [electronic resource]:

Learning materials / O.P. Kultygin. - M .: MFPA, 2012. - 232 pp. - (University Series).

http://znanium.com/bookread.php book=4511143. Astakhova, I.F., Melnikov, V.M., Tolstobrov, A.P., Fertikov, V.V. The DBMS: SQL

language in the examples and problems. - M .: FIZMATLIT, 2009. - 168 pp. //http://e.lanbook.com/books/element.php pl1_cid=25&pl1_id=2101

Additional literature:1. Martishin, S.A., Simonov, V.L., Khrapchenko, M.V. Design and implementation of

databases in MySQL database using MySQL Workbench: Methods and tools for the design of information systems and technologies. The tools of information systems. Learning materials. Moscow Publishing House "FORUM" Moscow "Scientific Publishing Center INFRA-M", 2012. 160 pp. http://znanium.com/bookread.php book=318518

2. Golitsyna, O.L., Popov, I., Maksimov, N.V. Databases: Learning materials. 2. Moscow Publishing House "FORUM" Moscow Publishing House "INFRA-M", 2009. 400 pp. http://znanium.com/bookread.php book=182482

3. Benken, E.S. PHP, MySQL, XML: Programming for the Internet / E.S.Benken. SPb .: BHV- Petersburg, 2007 314. http://znanium.com/bookread.php book=350304

Name of discipline Physical research methods of organic compounds






Course coordinator

It is expected that students of this discipline have attended the courses "Organic chemistry" and "Physical chemistry"


Burilov, V.A.

Learning outcomes

After completion of the discipline:1. student must know: basic terminology related to the physical and chemical methods of investigation, classification of methods; the basic concepts and laws underlying the various methods2. student must be able: to demonstrate the link between the various physical and chemical methods of research,

the structure and properties of substances;

to implement an appropriate choice of physical and chemical methods of investigation, depending on the structure of matter and the task;

to use the laws of physical and chemical processes, physical and chemical methods of research in the performance of projects and activities and interpretation of experimental data;

to use the skills for the professional and social problems solving; to apply the appropriate software for data processing.3. student must master: Problem-solving skills to establish the structure of the compound according to physical

methods of molecules research.4. student must show the ability and willingness: to solve any problem related to the establishment of the compound structure according to

physical methods of molecules research.

Contents

Topic 1. General characteristics of physical methods of substances researchpractical training (8 hrs.)Topic 2. The method of NMR spectroscopypractical training (8 hrs.)Topic 3. Chromatography-mass spectrometry.practical training (4 hrs.)Topic 4. The method of infrared spectroscopypractical training (4 hrs.)Topic 5. Electron spectroscopy in the visible and ultraviolet regions, Emission spectroscopypractical training (4 hrs.)Topic 6. Preparation for pass

Literature

Basic literature:1. Pentin, Y.A. Physical methods of research in chemistry: textbook for high school students

trained on a specialty 011000 "Chemistry" and on the direction of training 510500 "Chemistry" / Y.A. Pentin, L.V. Vilkov. Moscow: Mir, [2012]. 683 pp.,

2. Shabarov, S. Organic chemistry. - 5th ed., Sr. - St. Petersburg: Lan, 2011. - 848 pp. http: //e.lanbook.com/books/element.phppl1_cid=25&pl1_id=4037

3. Karataeva, F.H. NMR spectroscopy in organic chemistry: [Learning materials] / F.H. Karataeva, V.V. Klotchkov. Kazan: Kazan University, 2013. ; 21. part 1: The general theory of NMR. Chemical shifts and ¹H ¹³C. 2013. 130. : Ill. Bibliography .: pp. 129-130 (19 references.). ISBN 978-5-00019-052-4 ((in cover)), 100.

4. Karataeva, F.H., Klotchkov, V.V. NMR Spectroscopy in Organic Chemistry. Part I. 2013. (For students of chemical and biological depts)Details: http://kpfu.ru/publication p_id=68614

5. Fedotov, M.A. Nuclear Magnetic Resonance in Inorganic and Coordination Chemistry. Solutions or liquids. - M .: FIZMATLIT, 2010. - 384 pp.http://e.lanbook.com/books/element.php pl1_cid=25&pl1_id=2151

Additional literature:1. Gabuda, S.P., Kozlova, S.G. Ione pair and a chemical bond in the molecular and ionic

crystals: multinuclear NMR spectroscopy, magnetochemistry electronic correlation

interaction and relativistic effects. Novosibirsk Publishing House of the Siberian Branch of the Russian Academy of Sciences, 2009. 164 pp.

2. Berdnikov, E.A.. Exercises of NMR spectroscopy in organic chemistry: [Learning materials] / E.A. Berdnikov, M.A. Kasymova; Kazan Federal Univ, Chem. Inst of Butlerov, SEC of KFU "Materials and Technologies of XXI Century". - Kazan: [KFU], 2007.-; 29.part. 1 - 2007 - 103.

3. Kamalov, D.I., Salakhov, M.H. Lectures on Applied Infrared Spectroscopy: Learning materials. Kazan Federal University, 2009. 167 pp.

Name of discipline Electronic and spatial structure of molecules


2 14 weeks





Course coordinator

The discipline "Electronic and spatial structure of molecules" provides an interdisciplinary connections between scientific disciplines "Non-organic chemistry", "Physics", "Physical Chemistry", "Organic chemistry".

oral Practical trainings, discusions, seminars

Chmutova, G.A

Learning outcomes

After completion of the discipline:1. student must know: basic theories, methods and approaches for qualitative predictions of the electronic

and spatial structure of organic, inorganic, organometallic and elementorganic compounds

Principles of methods to study the spatial and electronic structure of compounds The fundamentals of the quantum theory of atoms in R. Bader molecule,2. student must be able: to be conversant in experimental and theoretical methods of study of the electronic

structure, to acquire, organize and summarize the information from Internet sources, periodicals,

monographs,

to apply knowledge in practice, to use the basic laws of the structure of matter for validate choice of research method, for selection of partners for the reaction, for solvent and catalyst, and to professionally evaluate the results of the experiment,,

to conduct simple quantum-chemical calculations of the electronic structure3. student must master: theoretical knowledge about the most important aspects of the electronic structure

(effective atomic charges, dipole moments, polarizability, electrostatic potential, the characteristics of the molecular orbitals, topological indices, etc.)

4. student must show the ability and willingness: to realize knowledge about electronic and spatial structure of molecules for solving

practical problems.

Contents

Topic 1. The structure of the molecule (chemical structure - the primary structure, spatial structure, electronic structure).practical training (2 hrs.)Topic 2. The structure of inorganic molecules. Types of bonds in them and their nature.practical training (4 hrs.)Topic 3. Chemical bonds in organic (organoelement, organometallic) compounds, their classification and methods of description.practical training (4 hrs.)Topic 4. Molecular orbital structure (energy, symmetry, structure, sequence of molecular orbitals)practical training (4 hrs.)Topic 5. The theory of atoms in molecules Baderpractical training (6 hrs.)Topic 6. The relationship and interdependence of the characteristics of the electronic and spatial structure.practical training (4 hrs.)Topic 7. Intermolecular interactionspractical training (4 hrs.)

Literature

Basic literature:1. Sirotkin, O.S. Evolution of the theory of chemical matter structure of Butlerov to the

unitary theory of the chemical compounds structure (the basic unit of chemistry): Monograph / O.S. Sirotkin. - M .: SRC INFRA-M, 2013 - 247pp .: 60x88 1/16. - (Scientific Thought).http://znanium.com/bookread.php book=420415

2. Chmutova, G.A. Teaching manual for the "Structure of Matter" course / G.A. Chmutova, A.R. Kurbangalieva, M.A. Kazymova; Kazan Fed.. Univ, Chem. Inst of Butlerov A.M.. Kazan Fed. University, 2009 .-; 21. part. 1 .- 2009 .- 35.

3. Chmutova, G.A. Aspects of communication "Structure - Reactivity": Learning materials / G.A. Chmutova; Kazan (Volga Region). Feder. Univ, Chem. Institute. Kazan [Kazan (Volga) Federal University], 2010 93 .:

Additional literature:1. Holland, A. (Arne). Molecules and Models: the molecular structure of compounds of

elements of the main groups. Moscow URSS [KRASAND, 2011. 382 pp.

2. Quantum chemistry / G. Gelman; with a foreword and comments of D.Phys.Math.Sci. A.L. Chugreev and add. of Mr. Gelman jr. 2nd ed., Ext. Moscow: Binom. Knowledge Laboratory, 2011. 533 pp.

3. Sirotkin, R. O., Sirotkin, O.S. Chemical bond: Learning materials for the discipline "Chemistry". Kazan [Kazan State Power Engineering University], 2010. 50pp.

Name of discipline Drugs Design


3 14 weeks

elective 2 Classroom work - 28, Self-study -44




Course coordinator

This discipline uses knowledge formed (and emerging) of following courses: "Cheminformatics", "Molecular modeling", "Data mining in chemistry"

oral Lectures, Practical trainings, discussions

Madjidov, T.I.

Learning outcomes

After completion of the discipline:1. student must know: the main principles of the design of new molecular structures with potential medicinal

effect; The basic requirements for drugs which must be satisfied to enter the market; The basic ideas and approaches used in the creation of new drugs; The basis of medicinal chemistry typical algorithm for creating the drug using virtual screening; The main reason for the rejection drugs- candidates for the use;2. student must be able: to use technology of virtual screening in the creation of drugs with the prescribed

biological properties using different approaches of chemo- and bioinformatics; to filter out compounds which have potentially undesirable characteristics of

adsorption, metabolism, distribution and excretion (ADME characteristics), as well as potentially toxic compounds at early stages;

to validate docking method and to rank the compounds according to the scoring function;

to conduct the virtual screening without the knowledge of the structure of the biological target;

3. student must master: Virtual screening methods using information about the structure of a biological target; Approaches for the screening of compounds that do not satisfy the requirements of

"drug resemblance", "leader resemblance" and other characteristics; main programs used for docking and pharmacophore search; Bioizostere substitution programs for creating peptidomimetic, for patented

compounds "bypassing"; Methods of de novo drug design.4. student must show the ability and willingness: To use the tools of virtual screening based on the structure of the biological target and

on the structure of the ligand for the biological target for the development of biologically active substances

Contents

Topic 1. Introduction to the discipline.lecture (2 hrs.)Topic 2. Method for creating druglecture (2 hrs.), practical training (2 hrs.)Topic 3. High-throughput screening, its use in the drugs creatinglecture (2 hrs.), practical training (2 hrs.)Topic 4. The algorithm of the virtual screening of chemical compoundslecture (2 hrs.), practical training (2 hrs.)Topic 5. The virtual screening based on the structure of biomolecules.lecture (2 hrs.), practical training (2 hrs.)Topic 6. The method of docking.lecture (2 hrs.), practical training (4 hrs.)Topic 7. Use reverse QSAR to create connectionslecture (2 hrs.), practical training (2 hrs.)

Literature

Basic literature:1. Helte, H.-D. et al. Molecular Modeling: Theory and Practice: ed. V.A. Palyulin and E.V.

Radchenko; transl. from English. - M: Binom. Knowledge Laboratory, 2009.-318 pp.2. Gavrilov, A.S. Pharmaceutical Technology: production of pharmaceuticals: the

textbook for students of institutions of higher education trained on a specialty 060108 "Pharmacy" on discipline "Pharmaceutical Technology" / A. Gavrilov. - Moscow: GEOTAR Media, 2010.-618 pp .:

3. Pharmaceutical Technology. Technology of medicinal forms: textbook / I.I.Krasnyuk, G.V. Mikhailova, T.V. Denisova, V.I. Sklyarenko; ed. I.I. Krasnyuk, G.V. Mikhailova. - M.: GEOTAR Media, 2011. - 656 pp. : Ill. // http://www.studmedlib.ru/ru/book/ISBN9785970418055.html

4. Pharmaceutical Technology. Production of pharmaceuticals: Learning materials / Loyd V. Allen, A. Gavrilov. - M.: GEOTAR Media, 2014. - 512 pp. : Ill. // http://www.studmedlib.ru/ru/book/ISBN9785970427811.html

5. Pharmaceutical Technology. Production of pharmaceuticals: textbook / A.S. Gavrilov. - M.: GEOTAR Media, 2010. - 624 pp. : Ill.

Additional literature:1. Weinstein, V.A., Kauhova, I.E. Biphasic extraction in preparation medicines and

cosmetics. [St. Petersburg] Prospect of Science, 2010. 98 pp.2. Galkina, I.V. ABC of chemistry of biologically active substances: Learning materials for

higher educational institutions: students trained on a specialty 020101.65 - Chemistry. Kazan Federal University, 2009. 151 pp.

3. Methods of computer modeling for the study of polymers and biopolymers: [collection] / ed. Ivanov V.A. Moscow URSS [LIBROKOM], 2009. 662 pp.

Name of discipline Metabolism and toxicity of organic substances


3 14 weeks





Course coordinator

Knowledge of physical research methods of organic compounds, pharmaceutical chemistry, fundamentals of pharmacology, biochemistry of human, analytical chemistry, physical chemistry are necessary for the development of the module "Metabolism and toxicity of organic substances"

oral Lectures, Practical trainings, seminars, abstracts

Mironov, V.F.

Learning outcomes

After completion of the discipline:1. student must know: subject and features of toxicological chemistry as a science about the peculiarities of

the biological action of toxins and poisons on the human body, the ways of their metabolism and detoxification

2. student must be able: to be conversant in mechanisms of action of toxic substances, their distribution in the

body and ways to elimination, to know about antidotes to poisons and methods of detoxification, types of interaction

xenobiotic (toxicant) - receptor to have an idea of the metabolism of xenobiotics (toxins) and of toxicological issues

kinetics to understand the purpose of toxicology as the field of human activity: the continuous

improvement of activities, tools and methods to ensure the preservation of life, health and professional health of the individual, groups and of the general population in terms of everyday contact with chemicals and in emergency situations.

3. student must master: skills of detection and control of toxic substances and poisons, have a critical view on

the issue of the toxicological hazard / safety4. student must show the ability and willingness: Students who have completed the study of the discipline must:

understand the subject and features of toxicological chemistry as the science of the mechanisms of the harmful effects of substances on humans and animals, with the developing patterns of pathological processes, methods of diagnosis, treatment and prevention of poisoning;

Have theoretical knowledge about the basic types and classes of toxicants, their biological action and metabolism, methods of neutralization;

be conversant in the ways of creating the drug from synthesis of substance prior to approval the finished product, in orders of their certification, be conversant in government agencies responsible for registration and the introduction of new drugs into the practice;

Acquire skills on methods of determining and control of poisons and toxins; form a critical look at the problem of toxicological hazard / safety; be conversant in matters of biological action, metabolism, distribution and excretion of

toxins and poisons from the human body, etc.

Contents

Topic 1. Toxicological Chemistry and Toxicology foundationslecture (4 hrs.), practical training (4 hrs.)Topic 2. Toxicological dynamics. Interaction "toxicant-receptor"lecture (2 hrs.), practical training (2 hrs.)Topic 3. Receipt, absorption, distribution and excretion of xenobioticslecture (2 hrs.), practical training (2 hrs.)Topic 4. The biotransformation of xenobioticslecture (4 hrs.), practical training (4 hrs.)Topic 5. Toxicological kinetics.lecture (2 hrs.), practical training (2 hrs.)

Literature

Basic literature:1. Molecular Modeling: Theory and Practice / H.-D. Helte [et al.]; ed. V.A. Palyulin and

E.V. Radchenko; transl. from English. A.A. Oliferenko [et al.]. Moscow: Binom. Knowledge Laboratory, 2009 318.

2. Toxicological Chemistry. Analytical Toxicology: Textbook / Ed. R.W. Khabriev, N.I. Kaletina. - M.: GEOTAR Media, 2010. - 752 pp. // http://www.studmedlib.ru/ru/book/ISBN9785970415375.html

3. Clinical pharmacology textbook / N.V. Kuznetsova. - 2nd ed., Rev. and add. - M .:

GEOTAR Media, 2013. - 272 pp. // http://www.studmedlib.ru/ru/book/ISBN9785970426470.html

4. Pharmaceutical Technology. Technology of medicinal forms: textbook / I.I. Krasnyuk, G.V. Mikhailova, T.V. Denisova, V.I. Sklyarenko; ed. I.I. Krasnyuk, G.V. Mikhailova. - M.: GEOTAR Media, 2011. - 656 pp. : Ill. // http://www.studmedlib.ru/ru/book/ISBN9785970418055.htm

5. Pharmaceutical Technology. Production of pharmaceuticals: Learning materials / Loyd V. Allen, A. Gavrilov. - M.: GEOTAR Media, 2014. - 512pp. // http://www.studmedlib.ru/ru/book/ISBN9785970427811.html

Additional literature:1. Kovalenko, L.V. Biochemical ABC of chemistry of biologically active substances.

Moscow Binom. Knowledge Laboratory, 2010. 228 pp. http://e.lanbook.com/books/element.php pl1_cid=25&pl1_id=3160

2. Kukin, P.P., Ponomarev, N.L., and Tarantseva, K.R. Basics of toxicology: Learning materials for students of universities. Moscow Higher School, 2008. 279 pp.

3. Zobov, V. Environmental Toxicology: summary of lectures. Kazan (Volga Region) Federal University, Institute of Ecology and Geography, Department of Applied Ecology. 2013. http://libweb.ksu.ru/ebooks/02-IEG/02_081_A5kl-000494.pdf

Name of discipline Bioinformatics


3 14 weeks

elective 2 Classroom work - 28, Self-study -44




Course coordinator

This discipline is a logical continuation of a series of courses studied by students of Master's program on direction "Cheminformatics" incl. "Fundamentals of computer programming in the application to chemical problems", "Computers, operating systems and networks", "Database Management"


Akberova, N.I.

Learning outcomes

After completion of the discipline:1. student must know: challenges and opportunities for genome annotation, working with data on

transcriptomics, proteomics, comparative genomics, metabolomics, construction and analysis of metabolic networks

2. student must be able: to use modern bioinformatic methods and approaches for studying the structure and

function of genome3. student must master: theoretical knowledge on the structure and on presentation of the world's knowledge

in the field of biology (public database, database publishing, search tools)4. student must show the ability and willingness: To apply skills using standard bioinformatics software packages for nucleotide,

polypeptide and structural data analysis to solve custom research tasks

Contents

Topic 1. Introduction to bioinformaticslecture (2 hrs.)Topic 2. Biological Databaselecture (2 hrs.), practical training (2 hrs.)Topic 3. Analysis of polynucleotide and polypeptide sequencespractical training (4 hrs.)Topic 4. sequencing of genomeslecture (2 hrs.)Topic 5. The methods and algorithms for the protein predictionlecture (2 hrs.), practical training (2 hrs.)Topic 6. Metabolomicslecture (2 hrs.)Topic 7. Comparative genomics and proteomicslecture (2 hrs.), practical training (4 hrs.)Topic 8. Structural bioinformaticslecture (2 hrs.), practical training (2 hrs.)

Literature

Basic literature:1. Lesk, A. Introduction to bioinformatics / A. Lesk; transl. from English. ed. prof.

Doc.Bio.Sci. A.A. Mironov and prof. V.K. Svedas. Moscow: Binom. Knowledge Laboratory, 2009.- 318 pp.

2. Stojkov, I.I., Evtyugin, G.A. Fundamentals of nanotechnology and nanochemistry: Learning materials. Kazan: Publishing Kazan (Volga) Federal University. - 2010. - 237 pp.

3. Sergeyev, G.B. Nanochemistry: Learning materials for students trained on the direction 020100 (510500) - Chemicals and majoring 020 101 (011 000) - Chemistry / G.B. Sergeev. [3rd ed.]. Moscow: University Book House, 2009. 333.

4. Nanobiotechnology: Workshop / ed. A.B. Rubin. M: Binom. Knowledge Laboratory, 2013. - 384pp. : http://e.lanbook.com/books/element.php pl1_id=3130

Additional literature:

1. Haubold, B. (Bernhard), Vie, T., and Chudov, S.V. (Transl.). Introduction to computational biology: evolutionary approach. Moscow Izhevsk [Izhevsk] Institute of Computer Science, Regular and chaotic dynamics, 2011. 455 pp.

2. Kamenskaya, M.A., Kamensky, A.A. Information Biology: Learning materials for students of universities. Moscow Academy, 2006. 368 pp.

3. Akberova, N.I. methods of molecular phylogeny: a teaching aid. Kazan (Volga Region) Federal University, Institute of Basic Medicine and Biology, Department of Biochemistry and Biotechnology. 2014.http://libweb.ksu.ru/ebooks/01-IFMB/01_012_000708.pdf

Name of discipline Nanomaterials and nanosystems


3 14 weeks

elective 2 Classroom work -28 , Self-study -44




Course coordinator

The basis for the study of this discipline are following general courses: "General chemistry", "Non-organic chemistry", "Physics", "Physical Chemistry", "Analytical Chemistry", "Colloid Chemistry", "Chemical Technology".


Stoykov, I. I., Tatarinov, D.A.

Learning outcomes

After completion of the discipline:1. student must know: The main types of nano-objects and nanomaterials, how to predict their stability and

physico-chemical properties; an idea of instruments and devices developed on the basis of nanomaterials.

2. student must be able: to be conversant in methods of preparation and research of nanostructures: scanning

tunneling microscopy and spectroscopy.3. student must master:

Theoretical knowledge of the principle of size quantization and conditions of observation of quantum-dimensional effects; fundamental knowledge about the specifics of the behavior of matter at the nanometer size range; understanding the mechanism of dimensional physical and chemical effects occurrence.

4. student must show the ability and willingness: to apply this knowledge in practice, to use the basic laws of nanochemistry in professional activity, to understand the basic scientific and technical problems of nanotechnology and

prospects of development of this fundamental area of knowledge.

Contents

Topic 1. Introduction. Goals and objectives of nanochemistry.lecture (1 hrs.), practical training (1 hrs.)Topic 2. Nanomaterials and nanochemistry areas: existing developments and prospects.lecture (1 hrs.), practical training (1 hrs.)Topic 3. Nanostructured elements of matter, nanostructured polymerslecture (2 hrs.), practical training (2 hrs.)Topic 4. Optics of nano-objects.lecture (1 hrs.), practical training (1 hrs.)Topic 5. Methods of nanoscale systems.lecture (1 hrs.), practical training (1 hrs.)Topic 6. Physical chemistry of nanostructured materials.lecture (1 hrs.), practical training (1 hrs.)Topic 7. Basic principles of nanosystems.lecture (1 hrs.), practical training (1 hrs.)Topic 8. Submicron Technology.lecture (1 hrs.), practical training (1 hrs.)Topic 9. Laser radiation: interaction with the surface and application in nanochemistry.lecture (1 hrs.), practical training (1 hrs.)Topic 10. Soft methods.lecture (1 hrs.), practical training (1 hrs.)Topic 11. Supramolecular organization of molecules. Molecular recognition.lecture (1 hrs.), practical training (1 hrs.)Topic 12. The epitaxial techniques. Main regularities and the types of chemical vapor deposition.lecture (2 hrs.), practical training (2 hrs.)

Literature

Basic literature:1. Stojkov, I.I., Evtyugin, G.A. Fundamentals of nanotechnology and nanochemistry:

Learning materials. Kazan: Publishing Kazan (Volga Region) Federal University. - 2010. - p.237

2. Gusev, A.I. Nanomaterials, nanostructures, nanotechnology / A.I. Gusev. Edition 2, revised. Moscow: FIZMATLIT 2009. 416.

3. Golovin, Y.I. Fundamentals of of nanotechnology. - M .: Engineering, 2012. - 656 pp .// http://e.lanbook.com/view/book/5793/

4. Gusev, A.I. Nanomaterials, nanostructures, nanotechnology. - 2nd ed., Rev. - M .:

FIZMATLIT, 2009. - 416 p .// http://e.lanbook.com/view/book/2173/5. Rambidi, N.G., Berezkin, A.V. Physical and chemical bases of nanotechnology. -

M .: FIZMATLIT, 2009. - 456 pp. http://e.lanbook.com/books/element.php pl1_cid=25&pl1_id=2291

Additional literature:1. Fahlman, Bradley, D. Chemistry of new materials and nanotechnology / B. Fahlman;

transl. from English. D. O. Charkin, V.V. Utochnikova ed. Y.D. Tretyakov, E.A.Gudilin. Dolgoprudny: Intellect, 2011.-463 pp., - 1 copy.

2. Diachkov, P.N. Digital properties and applications of nanotubes. Moscow BINOM. Knowledge Laboratory, 2010. 488 pp.

3. Suzdalev, I.P. Nanotechnology: Physics and Chemistry of nanoclusters, nanostructures and nanomaterials. Moscow URSS [LIBROKOM], 2013. 589 pp.

Name of discipline Scientific seminar


1,2,3 15 weeks

obligatory 3 Classroom work - 30, Self-study -78




Course coordinator

Scientific seminar is closely linked to the performance of research work of students

oral seminars Madjidov, T.I.

Learning outcomes

After completion of the discipline:1. student must know: foundations of methods of molecular modeling, custom scientific results World experience in the field of research which is set by the supercisor as a research

topic.2. student must be able: to conduct their own research presentation, to answer questions short, clear and reasonable,\ to work with the scientific literature and with scientific data summarization systems.3. student must master: software for multimedia presentations.4. student must show the ability and willingness: to make a presentation of the research results in the scientific team, to answer the questions posed by listeners reasonably, clearly and concisely.

Contents

Topic 1. Presentation of the literary review on assigned (by supervisor) research topic within the scientific work internship. Discussion.practical training (10 hrs.)Topic 2. Presentation of the intermediate results on assigned (by supervisor) research topic within the scientific work internship. Discussion.practical training (10 hrs.)Topic 3. Presentation of the literary review on assigned (by supervisor) research topic within the pre-diploma internship. Discussion.practical training (10 hrs.)

Literature

Basic literature:1. Reutov, O.A. Organic chemistry In 4 vol.: Vol.: 1: Learning materials for HEI /

O.A.Reutov, A.L.Kurts, K.P.Butin - М.: Binom, 2014.- 567 pp.2. Reutov, O.A. Organic chemistry]: In 4 vol.: Vol.: 2: Learning materials for HEI /

O.A.Reutov, A.L.Kurts, K.P.Butin - М.: Binom, 2013.-623 pp.3. Reutov, O.A. Organic chemistry In 4 vol.: Vol.: 3: Learning materials for HEI /

O.A.Reutov, A.L.Kurts, K.P.Butin - М.: Binom, 2014. -543,[1] pp.4. Reutov, O.A. Organic chemistry In 4 vol.: Vol.: 4: Learning materials for HEI /

O.A.Reutov, A.L.Kurts, K.P.Butin - М.: Binom,2014.-722,[4] pp.5. Madjidov, T.I. Introduction to cheminformatics: Computer representation of chemical


6. Radaeva, Y.G. Word 2010: Ways and methods for creating professional-looking documents: Learning materials / Y.G. Radaeva. - M .: Forum: SRC INFRA-M, 2013. - 160 pp. http://znanium.com/bookread.php book=402060

Additional literature:1. Methods of computer modeling for the polymers and biopolymers study: [collection] /

ed. Ivanov V.A. Moscow URSS [LIBROKOM, 2009. 662 pp.2. Hoelte, H.-D., Zipple, B., Ronyan, D., Folkers, G. Molecular Modeling: Theory and

Practice. Moscow Binom. Knowledge Laboratory, 2009. 318 pp.

Name of discipline French Language


1,2,3 28 weeks

Additional course

4 Classroom work - 56 , Self-study - 88




Course coordinator

none Oral+written Practical trainings Khayrullina, E.M.

Learning outcomes

After completion of the discipline:1. student must know: basic search methods of professional information, basic techniques of analytical and

synthetic information processing, rules for annotations compiling and general scientific texts abstracting;

at least 2500 lexical units of general and specialized character, of which about 1000-1500 units are reproductively;

rules of oral monologue and dialogue speech making in situations of business and professional communication;

rules of drafting and presentation of scientific and technical documents, research reports, surveys, reports and articles.

2. student must be able: to understand, to translate, to abstract and to annotate the literature on the narrow

and wide profile of specialty; to understand oral (monologue and dialogue) professional speech; to actively wield the most common grammar and basic grammatical phenomena

typical for professional speech; to allocate primary and secondary information when reading adapted and original

literature; to register the information in the form of abstract, annotation, message, report; to raise a level of language competence, using a variety of reference books,

dictionaries and online resources competently and efficiently.3. student must master:

normative pronunciation and the rhythm of speech; the most common grammar and basic grammatical phenomena typical of the

general scientific speech; oral communication skills and their applying on topics of educational, general

scientific and professional communication with the norms and rules of the English language etiquette;

various types of reading of adapted and original literature (viewing, searching, analytical and specific information extracting);

monologue and dialogue speech within the general scientific and professional subjects;

basics of public speaking (making messages, reports and presentations with preliminary preparation);

basic written communication skills necessary to conduct correspondence in the professional and scientific purposes;

basic techniques of annotation, abstracting and translation of literature on specialty.

4. student must show the ability and willingness:А1+

to understand the and to be able to use familiar everyday phrases and expressions needed for specific tasks; to be able to introduce him / herself and others and to ask / answer questions about the place of residence, friends, property; to participate in a simple talk if the other person talks slowly and clearly and is prepared to provide assistance in situations of everyday communication, when they talk about him, his family and the immediate environment;

to understand familiar names, words and very simple sentences in ads, posters or catalogs; to participate in the dialogue, if the person repeats his statement at request

in slow motion or paraphrases it, and also helps to formulate what the student is trying to say; to be able to ask simple questions and answer them within familiar or interesting topic;

to be able to talk about the place where he lives, about the people he knows using simple phrases and sentences;\

to be able to write a simple postcard (for example with holiday greetings), fill in forms, make his name, nationality, address in the registration form at the hotel.

А2 to understand the sentences and frequently used expressions related to main spheres

of life (eg basic personal and family information, shopping, local geography, employment); to be able to perform tasks related to the simple exchange of information on familiar and routine matters; to be able to tell about himself and his relatives and close ones in simple terms, to describe the main aspects of daily life;

to be able to understand phrases and the most common words in the statements concerning the important topics (eg, basic information about yourself and your family, shopping, place of living, work); to understand what is being said in simple, well-spoken and small messages and announcements;

to perceive very brief, simple texts; be able to find specific, predictable information in easy plain text of daily dialogue: in advertisements, brochures, menus, schedules; simple personal letters;

to be able to communicate in simple routine tasks requiring a direct exchange of information on familiar topics and activities; to be able to maintain extremely short everyday talk, but not enough to keep the conversation independently;

to be able to use simple phrases and sentences to describe a family and other people, living conditions, school, current or previous job;

to be able to write short, simple notes and messages; to write a very simple personal letter (for example, to express to someone your gratitude for something).

В1 to understand the main ideas of clear standard messages on various matters regularly

encountered in work, school, leisure, etc. To be able to deal with most situations that may arise during a stay in the country of the target language; to create a coherent message on well-known or interesting subject; to describe experiences and events, hopes and ambitions and to briefly give reasons and explanations for opinions and plans for the future;

to understand basic statements of the well-known themes with which the learner is familiar, at school, on vacation, etc spoken clearly and within the literary norms; to understand what is being said in the majority of radio and TV programs on current affairs, as well as on programs related to personal or professional interest (speaking should be clear and relatively slow);

to understand texts built on the everyday language material and on professional communication; to understand descriptions of events, feelings and wishes in personal letters;

to be able to deal with most situations encountered during a stay in the country of the target language; to be able to spontaneously enter into conversation on familiar or on interested subject (eg, "family", "hobby", "work", "travel", "current events");

be able to construct a simple connected statements about his personal experiences and events, to talk about their dreams, hopes and desires. It can briefly give reasons and explanations for opinions and intentions; tell a story or relate the plot of a book or film and express their attitude to this;

to be able to write simple connected texts on familiar topics; to be able to write personal letters, informing about one's personal experiences and impressions

В2

to understand the of complex contents of a text on concrete or abstract topics, including highly specialized texts.

to be able to speak spontaneously and rapidly to constantly communicate with native speakers without difficulties for any of the parties; to make clear, detailed text on a variety of subjects, to explain a viewpoint on a topical issue, to give the advantages and disadvantages of various opinions;

to understand detailed reports and lectures and even complex lines of arguments if provided topic is reasonably familiar; to understand almost all news and reports on current events; to understand content of films, if the characters speak a literary language;

to understand the articles and reports on contemporary issues, the authors of which occupy a special position or express a particular point of view; to understand contemporary fiction.

to be able to participate in the dialogue with the natives quite freely and without preparation; to take an active part in discussions on familiar problems, to justify and defend one's point of view;

to be able to comment on a range of issues clearly and detailed; to explain one's pont of view on a topic, expressing all "pros" et "contras";

to be able to write clear detailed text on a wide range of issues; to master a technique of writing essays or reports, highlighting questions or arguing

"pro" or "contra"; to master a technique of writing letters highlighting the events and experiences that are particularly important for the student.

Contents

Topic 1. Phonetic skills solidifying. Lexical skills solidifying. Grammatical skills solidifying. Listening skills solidifying. Speaking skills solidifying.practical training (24 hrs.)Topic 2. Automation of lexical skills. Automation of grammatical skills. Automation of listening skills. Automation of speaking skills. Automation of communicative reading skills.practical training (24 hrs.)Topic 3. Improving vocabulary skills. Improving grammatical skills. Improving listening skills. Improving speaking skills. Improving communicative reading skills.practical training (8 hrs.)

Literature

Basic literature:1. Popova, I. N. French = Manuel de francais: 1 textbook for the course of universities

and faculties of foreign languages: textbook for students of higher educational institutions / I. N. Popova, J.A. Kazakova, G.M. Kovalchuk. Ed. 21th, Rev. Moscow: Nestor Akademik, [2009]. 574 pp.

2. Bagana, J. Le Français des Affaires. Business French language [electronic resource]: Learning materials / J. Bagana, N. Langner. - M.: Flinta: Nauka, 2011. - 264 pp. - ISBN 978-5-9765-1101-9 (Flinta), ISBN 978-5-02-037661-8 (Science). // http://znanium.com/bookread.php book=405871

3. Ivanchenko, A.I. Speak French: Collection of exercises for spoken language development. Publisher: KARO, 2009// http://www.bibliorossica.com/book.html currBookId=6752&ln=ru

Additional literature:1. Russian-French dictionary = Grand dictionnaire russe-français: 200,000 words and

phrases / [L. W. Szczerba and others.]. 7th edition, stereotyped. Moscow: Russian language- Media, 2007. XI, [3], 560 pp.

2. French = Manuel de francais: Textbook for I course of universities and foreign. lang. depts/ I. N. Popova, J. A. Kazakova, G.M. Kovalchuk. 21th ed., Rev. Moscow: Nestor Academic Publishers, 2005. 574 pp.

3. Russian-French dictionary: professional and everyday communication / A.P Sedykh, J. Bagana, A.N. Langner. - Flinta M .: Nauka, 2010. - 168 p .: 60x88 1/16. (Hardcover) ISBN 978-5-9765-0873-6, 1000 copies. http://znanium.com/bookread.php book=241721

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