636-0827/01 – Chemical and Materials Databases (CHaMD)

Gurantor departmentDepartment of Material EngineeringCredits4
Subject guarantorprof. Ing. Vlastimil Vodárek, CSc.Subject version guarantorprof. Ing. Vlastimil Vodárek, CSc.
Study levelundergraduate or graduateRequirementOptional
Year1Semestersummer
Study languageCzech
Year of introduction2004/2005Year of cancellation2015/2016
Intended for the facultiesFMTIntended for study typesFollow-up Master
Instruction secured by
LoginNameTuitorTeacher giving lectures
FIA30 prof. RNDr. Jaroslav Fiala, CSc.
KUB27 Dr.Ing. Petr Kubečka
Extent of instruction for forms of study
Form of studyWay of compl.Extent
Full-time Credit and Examination 2+2

Subject aims expressed by acquired skills and competences

- Describe the dabases of substances, structures, phase diagrams, reactions and properties of materials as well as spectra for their identifications. - Acquaint with activities of institutions that collect, edit and disseminate such information (Gmelin, Beilstein, Landolt-Boernstein, Elsevier). - Explain the way in which the chemical, materials and reaction databases are built and the manner by which they are handled. - Make clear how these databases are used in searching structural regularities and structure-properties (structure-reactivity) correlations with the view of predicting and developing new materials and technologies. - Illustrate how to work with literature and bibliographic information databases, particularly in context of products of the worlds´ top information industry centers - Chenical Abstracts Service and Institute for Scientific Information.

Teaching methods

Lectures
Tutorials

Summary

A broad range of databases is described, in detail, including databases of structure and properties of materials, spectral databases for materials identification and reaction databases. Account of activities of institutions that collect, edit and disseminate such information is given. The way in which chemical, materials and reaction databases are built is explained and the way of handling these databases is described. The uses of databases in searching structural regularities and structure-properties (structure-reactivity) correlations is accentuated with the view of predicting and developing new materials and technologies. The use of literature and bibliographic information databases is especially illustrated by numerous products of the world´s top information industry centers - Chemical Abstract Service a Institute for Scientific Information.

Compulsory literature:

1. R. E. MAIZELL: How to find chemical information, John Wiley, New York 1987 2. S. JAMES: Using literature, John Wiley, Chichester 1987

Recommended literature:

1. J. FIALA: Spectra Data Bases for Chemical Compound Identification, Computer Physics Communications 33 (1984), s. 85-89

Way of continuous check of knowledge in the course of semester

E-learning

Další požadavky na studenta

There are no further requirements.

Prerequisities

Subject has no prerequisities.

Co-requisities

Subject has no co-requisities.

Subject syllabus:

Lectures: 1. Databases of structures, reactions, properties and spectra, arrangement of data in files, compression codes, index-files, bit maps, descriptions of specific databases. 2. Systems for working with databases, search procedures, interpretive procedures, identification procedures 3. Use of databases for the prediction 4. The most important chemical information database, Gmelin, Beilstein, Landolt-Bornstein 5. Chemical Abstracts Service, organization and services it provides, Abstracts File Registry File 6. Science and informatics 7. Monitoring of current information, journals, abstracts, titles 8. Institute for Scientific Information: Current Contents (current information), Science Citation Index (search), Journal Citation Reports Index to Scientific Reviews, Index to Scientific Book Contents, Current Contents Address Directory 9. Hierarchy of chemical informatics 10. Libraries, their organisation and use 11. Classification systems, bibliographies and indexes 12. Services providing abstracts 13. Information on patents and corporate literature 14. On-line information services, database centers, computer networks, work with databases in the network Exercises: 1. Working with the Cambridge Structural Database (CSD) now containing information about the structure of more than 200 000 organic compounds. When working on Silicon Graphics computers with the operating system UNIX students individually search in the database substances either according to the structural fragment or according to the given chemical and crystallographic conditions. 2. Working with the Inorganic Crystal Structure Database (ICDS) containing currently over 50 000 entries on the structure of inorganic substances. When working with the demo version of the databasis on the PC operating system MS-Windows students independently seek information about substances and their structure according to the given chemical and crystallographic requirements. 3. Work with the database Powder Diffraction File (JCPDS ICDD FDP) containing over 70 000 diffraction records of inorganic substances. Work on PC operating system MS-DOS, search by the position of diffraction lines, the strongest lines, chemical composition. 4. Working with bibliographic information Compendex (Computer Engineering Index), Minabs (Mineralogical Abstracts), Current Contens and search literature on the Internet. Students by suitably chosen keywords and other aspects search bibliographic references to their future diploma work. 5. Using the database of reference diffraction spectra for identification of phase composition of material: a hands-on workshop.

Conditions for subject completion

Full-time form (validity from: 1960/1961 Summer semester, validity until: 2008/2009 Summer semester)
Task nameType of taskMax. number of points
(act. for subtasks)
Min. number of points
Exercises evaluation and Examination Credit and Examination 100 (100) 51
        Exercises evaluation Credit 35 (35) 0
                Project Project 15  0
                Written exam Written test 20  0
        Examination Examination 65 (65) 0
                Written examination Written examination 50  0
                Oral Oral examination 15  0
Mandatory attendence parzicipation:

Show history

Occurrence in study plans

Academic yearProgrammeField of studySpec.FormStudy language Tut. centreYearWSType of duty
2014/2015 (N3909) Process Engineering (2807T004) Chemical Engineering P Czech Ostrava 1 Optional study plan
2013/2014 (N3909) Process Engineering (2807T004) Chemical Engineering P Czech Ostrava 1 Optional study plan
2012/2013 (N3909) Process Engineering (2807T004) Chemical Engineering P Czech Ostrava 1 Optional study plan
2011/2012 (N3909) Process Engineering (2807T004) Chemical Engineering P Czech Ostrava 1 Optional study plan
2009/2010 (N3909) Process Engineering (2807T004) Chemical Engineering P Czech Ostrava 1 Optional study plan
2009/2010 (N3909) Process Engineering (3911T008) Chemical and Physical Methods of Material Testing P Czech Ostrava 1 Compulsory study plan
2008/2009 (N3909) Process Engineering (2807T004) Chemical Engineering P Czech Ostrava 1 Optional study plan
2008/2009 (N3909) Process Engineering (3911T008) Chemical and Physical Methods of Material Testing P Czech Ostrava 1 Compulsory study plan
2007/2008 (N3909) Process Engineering (2807T004) Chemical Engineering P Czech Ostrava 1 Optional study plan
2007/2008 (N3909) Process Engineering (3911T008) Chemical and Physical Methods of Material Testing P Czech Ostrava 1 Compulsory study plan
2006/2007 (N3909) Process Engineering (2807T004) Chemical Engineering P Czech Ostrava 1 Optional study plan
2006/2007 (N3909) Process Engineering (3911T008) Chemical and Physical Methods of Material Testing P Czech Ostrava 1 Compulsory study plan
2005/2006 (N3909) Process Engineering (2807T004) Chemical Engineering P Czech Ostrava 1 Optional study plan
2005/2006 (N3909) Process Engineering (3911T008) Chemical and Physical Methods of Material Testing P Czech Ostrava 1 Compulsory study plan

Occurrence in special blocks

Block nameAcademic yearForm of studyStudy language YearWSType of blockBlock owner