Download - Chemometric Education in Saint-Petersburg
Chemometric Chemometric Education Education
in Saint-Petersburgin Saint-Petersburg • St.-Petersburg State St.-Petersburg State University;University;• St.-Petersburg State St.-Petersburg State UniversityUniversity of Aerospace of Aerospace Instrumentation;Instrumentation;• St.-Petersburg State St.-Petersburg State Institute Institute
of Technology of Technology (Technical University)(Technical University)
St.-Petersburg State St.-Petersburg State UniversityUniversityFaculty of ChemistryFaculty of Chemistry
Department of Organic ChemistryDepartment of Organic ChemistryLaboratory of gas chromatographyLaboratory of gas chromatography
Dr. Anatolii MarinichevDr. Anatolii Marinichev• Translation of monography: Translation of monography: Sharaf M.A., Illmen D.L.Sharaf M.A., Illmen D.L. Kovalsky B.P. “Chemometrics”Kovalsky B.P. “Chemometrics” into Russian in 1986; into Russian in 1986;• Organization of Organization of St. Petersburg Chemometrics SocietySt. Petersburg Chemometrics Society together with L.A. Rusinov and N.N. Khramov together with L.A. Rusinov and N.N. Khramov inin 2000-2001;2000-2001;• Organization of Organization of Symposium on ChemometricsSymposium on Chemometrics in 2002 in 2002
Chemometric courses taught byChemometric courses taught byDr. Anatolii MarinichevDr. Anatolii Marinichev::
• ““Chemometrics” (Part 1)Chemometrics” (Part 1) for the 4 for the 4th th year year students, this course takes 16 hours;students, this course takes 16 hours;
• ““Chemometrics” (Part 2)Chemometrics” (Part 2) for the 5 for the 5th th year year students, this course, takes 24 hours;students, this course, takes 24 hours;
• course for Masterscourse for Masters
The main chapters of the courseThe main chapters of the course “Chemometrics” “Chemometrics”
(Part 1)(Part 1)1. The term chemometrics and main parts of
chemometrics;2. Elements of statistics;3. Statistics hypotheses and their verification;4. Analytical signal, it detection and control;5. Correlation and regression;
The main chapters of the courseThe main chapters of the course
“Chemometrics” “Chemometrics” (Part II)(Part II)
1. Multidimensional statistics analysis;2. Design of experiments;3. Elements of analysis of variance;4. Problems of reducing the dimensionality of data
Faculty of ChemistryFaculty of Chemistry
Department of Inorganic Department of Inorganic ChemistryChemistry
Dr. Andrei KudrevDr. Andrei Kudrev Chemometric course “Chemometric course “Mathematical Mathematical
treatment of results of chemical treatment of results of chemical experimentexperiment” (54 hours) is taught to ” (54 hours) is taught to Masters:Masters:
1. Error analysis;1. Error analysis;2. Statistics treatment of results of 2. Statistics treatment of results of
chemical analysis;chemical analysis;3. Multivariate data analysis using 3. Multivariate data analysis using
factor analysis methods;factor analysis methods;4. Application of factor analysis;4. Application of factor analysis;5. Principal Component Analysis5. Principal Component Analysis
Faculty of ChemistryFaculty of Chemistry
Department of RadiochemistryDepartment of RadiochemistryLaboratory of Chemical SensorsLaboratory of Chemical Sensors
Dr. Alisa RudnitskayaDr. Alisa RudnitskayaDevelopment and application of Development and application of
ELECTRONIC TONGUEELECTRONIC TONGUE - a sensor device for - a sensor device for recognition (identification, classification, recognition (identification, classification,
discrimination), quantitative multicomponent discrimination), quantitative multicomponent analysis and artificial assessment of taste and analysis and artificial assessment of taste and
flavour of various liquidsflavour of various liquids
Main application areas of ELECTRONIC TONGUEMain application areas of ELECTRONIC TONGUE
Food analysis Analysis of liquid food, beverages and brews, Food analysis Analysis of liquid food, beverages and brews, analysis of homogenates (flesh food, fruits, vegetables), analysis of homogenates (flesh food, fruits, vegetables), analysis of vegetable and olive oils. Raw materials, analysis of vegetable and olive oils. Raw materials, intermediates, final products, taste substances, food intermediates, final products, taste substances, food additives. Recognition, identification, classification and additives. Recognition, identification, classification and quality control. Multicomponent quantitative determination quality control. Multicomponent quantitative determination of the content of inorganic and organic nutrients. Correlation of the content of inorganic and organic nutrients. Correlation between between ELECTRONIC TONGUEELECTRONIC TONGUE and human sensory perception and human sensory perception in food flavor evaluation. Basic tastes (salty, sweet, bitter, in food flavor evaluation. Basic tastes (salty, sweet, bitter, sour, umami). Prediction of human taste panel scores. sour, umami). Prediction of human taste panel scores. Clinical analysis Recognition and multicomponent Clinical analysis Recognition and multicomponent quantitative analysis of inorganic and organic substances in quantitative analysis of inorganic and organic substances in biological and medical liquids. Diagnostic of diseases through biological and medical liquids. Diagnostic of diseases through the integral chemical analysis of liquid media. the integral chemical analysis of liquid media. Environmental analysis Analysis of pollutants in the ground Environmental analysis Analysis of pollutants in the ground water. Determination of toxic free ions in the seawater water. Determination of toxic free ions in the seawater Industrial analysis Control of composition of flue gas Industrial analysis Control of composition of flue gas (absorbed by the liquid) from incinerators. Determination of (absorbed by the liquid) from incinerators. Determination of heavy metal content in a fluid of an industrial waste heavy metal content in a fluid of an industrial waste purification system. Analysis of Cu, Zn, Fe, Cr and other purification system. Analysis of Cu, Zn, Fe, Cr and other components in the galvanic industry.components in the galvanic industry.
Electronic tongueElectronic tongue is an analytical instrument comprising is an analytical instrument comprising an array of non-specific, low selective chemical sensors an array of non-specific, low selective chemical sensors
with partial specificity (cross-sensitivity) to different with partial specificity (cross-sensitivity) to different components in solution, and an appropriate method of components in solution, and an appropriate method of pattern recognition and/or multivariate calibration for pattern recognition and/or multivariate calibration for
the data processing. the data processing.
Pattern recognition and multivariate calibration Pattern recognition and multivariate calibration methodsmethods
To deal with the data from a sensor array it is necessary To deal with the data from a sensor array it is necessary to use different methods, which allow fitting the to use different methods, which allow fitting the
multidimensional output of the sensor set. multidimensional output of the sensor set. DATA PROCESSING TECHNIQUESDATA PROCESSING TECHNIQUES
Principal Component AnalysisPrincipal Component AnalysisCluster analysisCluster analysis
Artificial neural networksArtificial neural networksMultivariate calibration methodsMultivariate calibration methods
Multi linear regressionMulti linear regressionPrincipal component regressionPrincipal component regressionPartial least square regressionPartial least square regression
Non-linear regressionNon-linear regression
St.-Petersburg State University St.-Petersburg State University of Aerospace Instrumentationof Aerospace Instrumentation
Faculty of economics and Faculty of economics and managementmanagement
Department of Applied Department of Applied InformationInformation
Technologies in Economics and Technologies in Economics and ManagementManagement
Prof. Svetlana SokolovaProf. Svetlana Sokolova courses courses “Intellectual Multivariate Data Analysis ”“Intellectual Multivariate Data Analysis ” and and “Intelligent Information Systems”“Intelligent Information Systems” for the 4 for the 4th th andand the 5the 5th th
year students.year students.The main topics of the The main topics of the Term PaperTerm Paper in the frame of in the frame of course course “Intelligent Information Systems”“Intelligent Information Systems”:: information information security of PC networks, analysis of stock market security of PC networks, analysis of stock market dynamicsdynamics etc.etc.
St.-Petersburg State Institute St.-Petersburg State Institute of Technology of Technology
(Technical University)(Technical University) Faculty of Informatics and ControlFaculty of Informatics and Control
Department of Automation of Department of Automation of ProcessesProcesses
of Chemical Industryof Chemical IndustryProf. Leon RusinovProf. Leon Rusinov
uses chemometrics in his course uses chemometrics in his course ““Automation of Processes of Chemical Industry”Automation of Processes of Chemical Industry”
and in his research and in his research ((Problems of reducing the dimensionality of data)
Faculty of Informatics and ControlFaculty of Informatics and ControlDepartment of Automation of Department of Automation of
ProcessesProcessesof Chemical Industryof Chemical IndustryLeading specialist of Leading specialist of
““Lumex” Ltd. (analytical Lumex” Ltd. (analytical equipment)equipment)
Dr. Konstantin ZharinovDr. Konstantin Zharinovuses chemometrics in his researchuses chemometrics in his research(application of (application of Principal Component Principal Component
AnalysisAnalysisfor near IR spectra)for near IR spectra)
Oleg YanushOleg Yanush,,Dr. Sc. (Chemistry), ProfessorDr. Sc. (Chemistry), Professor E-mail: E-mail: [email protected]@inbox.ru
Tatiana MarkovaTatiana Markova,,Ph. D (Chemistry), Assistant Ph. D (Chemistry), Assistant
ProfessorProfessorE-mail: E-mail: [email protected]@mail.ru
Department of Physics,Department of Physics, St.-Petersburg State St.-Petersburg State
Technological University of Technological University of Plant PolymersPlant Polymers