WSC-7 | Participants and abstracts

Appolonova Svetlana

Moscow Antidoping Centre

Head of Horse Doping Laboratory

Moscow, Russia

P02. Multivariate analysis and mass spectrometry for drug testing
P03. ESI-MS/MS and multivariate analysis application for structural classification of 3-Oxosteroids (Coathor)

Arvoh Benjamin Kaku

Telemark University College

PhD student

Porsgrunn, Norway

P01. Estimation of volume fractions in two-phase flow systems based on acoustic chemometric

Baranov Pavel

Moscow Antidoping Centre

Research assistant

Moscow, Russia

P03. ESI-MS/MS and multivariate analysis application for structural classification of 3-Oxosteroids
P02. Multivariate analysis and mass spectrometry for drug testing (Coathor)

Bazarsadueva Selmeg

Baikal Institute of Nature Management of SB RAS

PhD student

Ulan-Ude, Russia

P47. Study of heavy metals distribution in organs and tissues of freshwater fishes from Kichera river (lake Baikal feeder) using principal component analysis

Belyaev Ivan

Altai State University

PhD student

Barnaul, Russia

P06. The estimation of age of human remains using soft modeling approach
P09. Classification of crystal drops images (Coathor)

Bikmeev Denis

Bashkir State University

PhD student

Ufa, Russia

Blinov Kirill

Advanced Chemistry Development

Leading expert

Moscow, Russia

Bogomolov Andrey

J&M Analytik AG

Project manager

Essingen, Germany

T12. In-line monitoring of yeast fermentation with 2D-fluorescence probe (Download PDF, 1.2 Mb)
P15. Multivariate classification and discrimination of oil-slime depositories in accordance with their condition (Coathor)

Bondarenkova Irina

Saint Petersburg State Technological University of Plant Polymers

Senior lecturer

Saint Petersburg, Russia

Brereton Richard

University of Bristol

Professor

Bristol, UK

L01. One class classifiers in chemometrics (Download PDF, 2.3 Mb)
T15. Pattern recognition methods for profiling microbial communities (Coathor)

Bulianitsa Anton

Institute of Analytical Instrumentation RAS

Head of department

Saint Petersburg, Russia

P34. Renessaince of colorimetry: scientometrical study

Burger James

BurgerMetrics SIA

Director

Jelgava, Latvia

P16. Sampling strategies for hyperspectral image models

Burmistrova Natalia

Saratov State University

Associate professor

Saratov, Russia

P04. The data processing method of sensor system for pH monitoring

Cherednik Ekaterina

Tomsk State University

MS student

Tomsk, Russia

P35. Determining of general water hardness by digital image-based titration

Christensen Niels Peter Aae

University of Copenhagen

PhD student

Copenhagen, Denmark

P36. Improved process understanding of solid dosage formulations through spectroscopy and multivariate data analysis

Daszykowski Michal

Institute of Chemistry, The University of Silesia

Adiunkt

Katowce, Poland

L03. Challenges in handling complex metabolomic data

Derkachova Olga

Saint Petersburg State Technological University of Plant Polymers

Associate professor

Saint Petersburg, Russia

T02. The use of FTIR-spectroscopy and chemometrics for analysis of kraft pulps
P42. Application of chemometrics method and constant stoichiometry groupings concept to the Raman spectra of lead metaphospate — TeO₂ glasses (Coathor)

Dmitriev Alexander

Altai State University

Student

Barnaul, Russia

P08. Analysis of MRI images of a brain of patients with dementia using multivariate approach

Dolgonosov Anatoly

Vernadsky Institute of Geochemistry and Analytical Chemistry RAS

Professor

Moscow, Russia

P05. Mathematical simulation and strategy for optimization of ion chromatographic analysis

Dynina Alena

Saint Petersburg State Technological University of Plant Polymers

Student

Saint Petersburg, Russia

P43. Using infrared spectroscopy and principal component regression for study of the bleaching and ageing influence on paper brightness

Elyashberg Mikhail

Advanced Chemistry Development

Leading specialist

Moscow, Russia

T04. Chasing molecules that were never there: misassigned molecular structures and the role of computer-aided systems in structure elucidation (Download PDF, 791 Kb)

Ermakov Vasiliy

Samara State Technical University

Engineer

Samara, Russia

P15. Multivariate classification and discrimination of oil-slime depositories in accordance with their condition

Esbensen Kim

Aalborg University

Professor

Esbjerg, Denmark

L04. Cross-validation — a chemometric dinosaur going extinct (Download PDF, 3.3 Mb)
T10. Process Analytical Technology — monitoring of biogas processes at meso scale test biogas plants (Coathor)
T13. PLS2 regression as a tool for selection of optimal analytical modality — a closer look at beer brewing process analysis with alternative spectroscopic data types (Coathor)

Folkmane-Burgere Aelita

BurgerMetrics SIA

Project manager

Jelgava, Latvia

Giussani Barbara

University of Insubria

Researcher

Como, Italy

P27. Chemical and isotopic tracers in copper deposits and ancient artefacts: a multivariate analysis approach to establish the provenance of materials
P23. Principal Component Analysis and Multi-way Analysis of tropospheric trace gases data in Lake Como area (Italy) during the period 1992–2007 (Coathor)

Gorbatsova Jelena

Tallinn University of Technology

PhD student

Tallinn, Estonia

Gowen Aoife

University College Dublin

Postdoc researcher

Dublin, Irland

P19. A simple method for estimation of optimal dimensionality in PLS models based on regression vector features

Gulyaev Ivan

Moscow State University

PhD student

Moscow, Russia

P28. Identification of unknowns based on structure data bases and computer simulation of mass-spectra

Halstensen Maths

Telemark University College

Associate Professor

Porsgrunn, Norway

P01. Estimation of volume fractions in two-phase flow systems based on acoustic chemometric (Coathor)
P07. Acoustic chemometrics and sampling for volume fractions determination in oil/gas flow (Coathor)

Heberger Karoly

Chemical Research Center, Hungarian Academy of Sciences

Scientific advisor

Budapest, Hungary

T22. Comparison of methods and models by consensus (Download PDF, 144.3 Kb)

Heydorn Kaj

Technical University of Denmark

Consultant

Roskilde, Denmark

T20. The impact of metrology on chemometrics — a historical challenge (Download PDF, 752.4 Kb)

Holm-Nielsen Jens Bo

Aalborg University

Head of Bioenergy and Green Engineering Centre

Esbjerg, Denmark

T10. Process Analytical Technology — monitoring of biogas processes at meso scale test biogas plants (Download PDF, 2.2 Mb)

Ihunegbo Felicia Nkem

Telemark University College

PhD student

Porsgrunn, Norway

P07. Acoustic chemometrics and sampling for volume fractions determination in oil/gas flow

Jankevics Andris

Groningen Bioinformatics Centre, University of Groningen

PhD student

Groningen, The Netherlands

T18. Quality control for large-scale LC-MS studies at runtime

Kabanova Natalja

Tallinn University of Technology

PhD student

Tallinn, Estonia

Kalambet Yuri

Ampersand Ltd.

General director

Moscow, Russia

Khodyreva Nadezhda

Saint Petersburg State Technological University of Plant Polymers

Vice-rector

Saint Petersburg, Russia

T01. St. Petersburg State Technological University of Plant Polymers: incorporation of chemometrics into its research and educational activities (Download PDF, 503.6 Kb)

Kirsanov Dmitry

Saint Petersburg State University

Senior researcher

Saint Petersburg, Russia

T11. Beer quality assessment by hybrid spectroscopic-electrochemical technique (Download PDF, 222.2 Kb)

Korobova Elena

Vernadsky Institute of Geochemistry and Analytical Chemistry RAS

Science secretary

Moscow, Russia

P44. Mathematical models and frequency histograms as a tool to study the structure of geochemical fields

Kucheryavski Sergey

Aalborg University

Assistant professor

Esbjerg, Denmark

P09. Classification of crystal drops images
P06. The estimation of age of human remains using soft modeling approach (Coathor)
P08. Analysis of MRI images of a brain of patients with dementia using multivariate approach (Coathor)

Kurkina Victoria

Saint Petersburg State Institute of Technology (Technical University)

Docent

Saint Petersburg, Russia

Lemanska Agnieszka

University of Bristol

PhD student

Bristol, UK

T15. Pattern recognition methods for profiling microbial communities (Download PDF, 2.4 Mb)

Madsen Michael

Aalborg University

PhD student

Esbjerg, Denmark

T13. PLS2 regression as a tool for selection of optimal analytical modality — a closer look at beer brewing process analysis with alternative spectroscopic data types (Download PDF, 483.8 Kb)

Maeder Marcel

University of Newcastle

Associate professor

Callaghan, Australia

L02. Advances in hard-modelling of chemical processes (Download PDF, 1.1 Mb)

Mannoylov Vladimir

Institute of Analytical Instrumentation RAS

Head of department

Saint Petersburg, Russia

P37. Processing of mass-spectrometer’s signals utilizing integrated spectral analys in adaptive basis

Marbach Ralf

Optical Instruments Center

Chief Research Scientist

Oulu, Finland

T24. Message from the EE department: calibration of multivariate measurements is easy (Download PDF, 971.2 Kb)

Marini Federico

Sapienza University of Rome

Researcher

Rome, Italy

L05. Particle swarm optimization (PSO): a potentially useful tool in chemometrics? (Download PDF, 1.9 Mb)

Marinichev Anatoly

Saint Petersburg State University

Docent

Saint Petersburg, Russia

P20. Regularities of phase transition temperatures within homologous series of organic compounds

Markova Tatiana

Saint Petersburg State Technological University of Plant Polymers

Associate professor

Saint Petersburg, Russia

P42. Application of chemometrics method and constant stoichiometry groupings concept to the Raman spectra of lead metaphospate — TeO₂ glasses (Coathor)

Marks Chris

Chemistry teacher

Richmond, USA

P38. Chemometric investigation of polarization curves

Marusina Inna

Saint Petersburg State Technological University of Plant Polymers

PhD student

Saint Petersburg, Russia

P42. Application of chemometrics method and constant stoichiometry groupings concept to the Raman spectra of lead metaphospate — TeO₂ glasses

Mazina Jekaterina

Tallinn University of Technology

MS student

Tallinn, Estonia

Minkkinen Pentti

Lappeenranta University of Technology

Professor

Lappeenranta, Finland

T14. Comparison of independent process analytical measurements — a variographic study (Download PDF, 670.7 Kb)

Monakhova Yulia

Saratov State University

PhD student

Saratov, Russia

Nikolaev Fedor

JSC "Leading institute "VNIPIET"

Senior scientific employee

Saint Petersburg, Russia

P45. Using the neuron network based classification technique for modeling the nuclear power plant water chemistry

Novikov Lev

Institute of Analytical Instrumentation RAS

Leading researcher

Saint Petersburg, Russia

P12. Instrument-oriented wavelets for data-processing of the analytical devices

Paul Sylvia

University of South Africa

Professor

Pretoria, South Africa

T03. The study of the interaction between dimethyl formamide and water in binary mixtures by means of Raman spectroscopy and chemometric techniques (Download PDF, 475.8 Kb)

Penkin Maxim

International Atomic Energy Agency

Senior safeguards analyst

Vienna, Austria

P40. Statistical data evaluation for trace element analysis in nuclear safeguards

Pomerantsev Alexey

Institute of Chemical Physics RAS

Leading researcher

Moscow, Russia

T09. PAT solution to the drug release prediction
T17. Another proof that chemometrics is usable: NIR confirmed by HPLC-DAD-MS and CE-UV (Coathor)

Possokhov Yuri

Eastern Research & Development Institute of Coal Chemistry

Senior researcher

Yekaterinburg, Russia

P13. Application of chemometric tools for coal calibration by DRIFT spectroscopy

Rodionova Oxana

Institute of Chemical Physics RAS

Senior researcher

Moscow, Russia

T17. Another proof that chemometrics is usable: NIR confirmed by HPLC-DAD-MS and CE-UV (Download PDF, 1.1 Mb)
T09. PAT solution to the drug release prediction (Coathor)

Roncoroni Simone

University of Insubria

PhD student

Como, Italy

P23. Principal Component Analysis and Multi-way Analysis of tropospheric trace gases data in Lake Como area (Italy) during the period 1992–2007
P27. Chemical and isotopic tracers in copper deposits and ancient artefacts: a multivariate analysis approach to establish the provenance of materials (Coathor)

Rudakova Irine

Saint Petersburg State Institute of Technology (Technical University)

Associate professor

Saint Petersburg, Russia

T08. Statistical methods of process monitoring and diagnostics (Coathor)
P25. The oil treating process diagnostic system (Coathor)

Rusinov Leon

Saint Petersburg State Institute of Technology (Technical University)

Professor

Saint Petersburg, Russia

T08. Statistical methods of process monitoring and diagnostics (Download PDF, 1.7 Mb)
P25. The oil treating process diagnostic system (Coathor)

Samokhin Andrey

Moscow State University

PhD student

Moscow, Russia

T23. Application of principal component analysis for extraction of pure mass spectra from gas chromatography/mass spectrometry data (Download PDF, 819.6 Kb)

Sanina Elena

Pharmaceutical Company ZAO GlaxoSmithKline Trading

Management accountant

Moscow, Russia

P22. Evaluation of the number of factors needed for residual bilinearization in BLLS and UPLS models to achieve the second-order advantage

Shelpakova Anna

Omsk State University

PhD student

Omsk, Russia

T21. Calibration set design in spectrophotometric analysis of multicomponent mixtures (Download PDF, 2 Mb)
P11. Analysis of multicomponent medicines without separation: concentration calculations for nonadditive analytical signals (Coathor)

Skvortsov Alexej

Institute of Cytology RAS

Associate professor

Saint Petersburg, Russia

P14. Probing cisplatin reactivity towards biological nucleophiles by UV-spectroscopy and multivariate analysis

Sokolova Svetlana

Saint Petersburg Institute of Informatics and Automation RAS

Leading researcher

Saint Petersburg, Russia

P41. Intelligent monitoring subsystem of information security with mandatory access control

Soktoeva Touyana

Buryat State University

PhD student

Ulan-Ude, Russia

P46. Comparative analysis of chemical compositions of Artemisia l., growing in central asia

Stanimirova Ivana

Institute of Chemistry, The University of Silesia

Adiunkt

Katowce, Poland

T19. Simultaneous processing of data from multiple sources

Styazhkin Pavel

JSC "Leading institute "VNIPIET"

Deputy chief of department

Saint Petersburg, Russia

Sysoeva Inna

Saint Petersburg State Institute of Technology (Technical University)

Student

Saint Petersburg, Russia

Taivosalo Anastassia

Tallinn University of Technology

PhD student

Tallinn, Estonia

Urtubia Alejandra

Universidad Tecnica Federico Santa Maria

Researcher

Valparaiso, Chile

Vago Emese

Budapest University of Technology and Economics

Teaching assistant

Budapest, Hungary

T16. Straight-line calibration when both variables are subject to error (Download PDF, 558.2 Kb)

Vlasova Irina

Omsk State University

Associate professor

Omsk, Russia

P11. Analysis of multicomponent medicines without separation: concentration calculations for nonadditive analytical signals

von Frese Juergen

Data Analysis Solutions DA-SOL GmbH

Managing Director

Greifenberg, Germany

Yakimova Eugenia

Saint Petersburg State Institute of Technology (Technical University)

PhD student

Saint Petersburg, Russia

P25. The oil treating process diagnostic system

Yanush Oleg

Saint Petersburg State Technological University of Plant Polymers

Professor

Saint Petersburg, Russia

P42. Application of chemometrics method and constant stoichiometry groupings concept to the Raman spectra of lead metaphospate — TeO₂ glasses (Coathor)

Zakharova Svetlana

JSC "Leading institute "VNIPIET"

Engineer-technologist

Saint Petersburg, Russia

P45. Using the neuron network based classification technique for modeling the nuclear power plant water chemistry (Coathor)

Zhilin Sergei

Altai State University

Docent

Barnaul, Russia

P26. KNIME extension for building multivariate regression under interval error

Program

Participants and abstracts

By contribution