Second Winter School on Chemometrics

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WSC-3
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The Second Russian Winter School on Chemometrics (WSC-2) took place Feb. 28- March 06 in Barnaul and Belokurikha, Altai. As its predecessor the second school was conducted in the context of the DRUSHBAMETRICS (DM) program. The objective of DM is to contribute to starting up chemometrics in Russia, establishing a framework for international chemometrics interaction, presenting and discussing new possible fields of Multivariate Data Analysis (MDA) applications, also to attract the attention of scientists from Siberian scientific centers to chemometrics. This time the organizing committee decided to transform the format of the WSC in comparison with the previous one. The program of WSC-2 was divided into two parts.

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Workshop at the school 

First stage was addressed to the beginners and was held in Barnaul 28.02-01.03, "Introduction to MDA" (in Russian). Barnaul is a big scientific and educational Siberian center. A total of 42 attendees, mainly from different Barnaul universities (Altai State University, Altai Medical State University, Barnaul Pedagogic State University, Altai State technical university) took part in the first stage. There were also participants from Tomsk, Novosibirsk, Irkutsk, Yakutsk and Moscow. The program of the first stage:

1. O. Rodionova. Introduction to MDA and PCA ( presentation in Russian)
2. O. Rodionova. Bilinear regression methods ( presentation in Russian)
3. A. Pomerantsev. Introduction to non-linear regression ( presentation in Russian) 
4. K. Esbensen. Multivariate data analysis in practice - applications
5. Attendees also had occasion to work on computers and to try the UNSCRAMBLER software for bilinear modeling and the FITTER Add-Ins for non-linear regression

Central parts of prof. Esbensen's textbook: "Multivariate Data Analysis - an Introduction" has been translated into Russian by Sergei Kucheryavski & Oxana Rodionova. This was used - with great success - for this stage. It is planned to translate further parts for the next school. Excellent facilities for lectures and computer exercises were provided by Altai State University and Federation of Internet education in Barnaul. The participants showed the great interest to the subject under consideration, eager to ask questions and to apply the newly acquired knowledge to their own work.

The second stage was held in Belokurikha: 02.03-06.03, Advanced MDA and Applications (in English). There were 20+ more experienced participants from 5 countries and different places of Russia. Since several attendees had taken part in WSC-1, the opportunity existed to discuss more advanced topics and application of chemometrics to problems from the participants' everyday work. Belokurikha is a marvelous resort popular of its unique nature and located at foothills of Altai Mountains at height of 250 meters above a sea level, in a valley of the mountain river Belokurikha. The participants had time for downhill skiing and also had chance to try excellent Altai mountain honey. Traditionally the participants lived in a small but rather comfortable hotel and rather secluded environment led to active social interaction and improved concentration.

The program consisted of lectures by invited speakers and short contributions from the attendees. Each talk was followed by ample time for questions and detailed discussions. The sessions were held in the branch of the Altai Sate University in Belokurikha provided all facilities necessary for lectures and discussion. 

Invited lectures included:

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Lecture at the conference 

Pentti Minkkinen (Lappeenranta University, Lappeenranta, Finland)
1. Practical applications of sampling theory ( presentation and abstract)
2. Environmental applications of chemometrics ( presentation and abstract)
 
Kim Esbensen (Alborg University, Esbjerg, Denmark) ( abstracts)
1.Relationships between sampling, analysis and chemometrics
2.Proper validation - the most important thing in calibration
3.Introduction to the AMT-technique
 
Vladimir Palyulin (Lomonosov State University, Moscow, Russia)
QSAR/QSPR methodology: past, present and future
 
Alexey Pomerantsev (Institute of Chemical Physics, RCS, Moscow, Russia)
Successive Bayesian estimation for linear and non-linear modeling ( presentation)
 
Oxana Rodionova (Institute of Chemical Physics, RCS, Moscow, Russia)
Simple Interval Calculation (SIC) - theory and applications ( presentation)
 
Oleg Startsev (Altai State University, Barnaul, Russia)
Feasibility of chemometric methods application for composite material science ( abstract in Russian)

Short communications and contributions by the participants:

Emese Vago & Sindor Kemeny (Budapest University of Technology and Economics, Budapest, Hungary)
Pair-wise t-Test and analysis of variances  ( presentation)
 
Denis Filistovich (Altai State University, Barnaul, Russia)
Dynamical mechanical analysis of polymer composite materials
 
Katya Pomerantseva (Institute of Gene Biology, Moscow, Russia)
The problem of genetic regulation and the structure of experimental data
 
Sergei Kucheryavski (Altai State University, Barnaul, Russia)
Fractal analysis of the deformation structure of porous pseudoalloys
Electrical impedance Tomography
 
Natalia Petrova (Institute of Non-Metallic Materials, Yakutsk, Russia)
Frost resistance materials for machines and mechanisms used in the northern region
 
Andrey Bogomolov (ACD, Moscow, Russia)
Mutual peak matching in a series of HPLC/DAD mixture analysis  ( abstract)
 
Christopher Marks (University of Virginia, Charlottesvile, USA)
Chemometric investigation of polarization curves  ( presentation)
 
Elena Shabanova (Geochemical Institute, Irkustsk, Russia)
Using multivariate calibrations for direct atomic emission analysis  ( abstract in Russian)

To the great regret of the participants, prof. Paul Geladi lectures " NIR in industrial applications" and " Introduction to 3-way analyzes" were canceled as Paul was stuck in Vasa (Finland) due to the awful weather and could not arrive to Altai in time.

WSC-2 showed a healthy, continuously growing interest in Chemometrics in Russia and the fruitfulness of the DRUSHBAMETRICS program: It is especially noteworthy that almost all young(er) participants in Stage 2 contributed  oral presentations and were very active in the scientific (as well as the social) program. All the participants are grateful to the Oleg Startsev and Sergei Kucherayvski, the members of the local organizing committee, who spent a lot of time and energy to make work and life of the participants pleasant and effective. The organizers are satisfied with the results of locating WCS-2 to this distal part of Siberia even though the long distances precluded large attendances both from within other regions of Russia as well as from abroad. WCS-2 was mainly a testimony to the active status of the group led by Oleg Startsev at Altai State University, Barnaul, which now must be counted as a second center of Russian chemometrics. The organizing committee is grateful for sponsoring and financial support, which included the following:
ACACSRG, Alborg University, Esbjerg, Denmark 
Altai State University, Barnaul, Russia

Opinion of the participants:

Chris Marks, University of Virginia:
"The effort required to reach Belokurikha (5 airports, 3 buses, the Moscow Metro, and a train), was well worth it. The value of the learning and friendships acquired at WSC-2 is hard to top. As one traveling from abroad, I especially enjoy the travel from the major Russian cities to the conference sites. This gives one a better look at Russia than one would ordinarily get and an opportunity to chat informally with others about chemometrics or other subjects of mutual interest. Once again the organizing committee did an excellent job of putting together a balanced program of invited talks, contributed talks, and informal learning opportunities. This was especially impressive in light of the last minute inability of Paul Geladi to make the trip. I was a little disappointed with the small turnout for this year's conference, and I missed seeing some friends from WSC-1. However, this circumstance provided an opportunity to get better acquainted with new friends and easy access to the invited speakers for questions and clarifications. I hope to see many new and familiar faces next year in PushGory."

Sergei Kucheryavski, Altai State University :
"From my point of view, in addition, the conference was very actual for young scientist, who makes their first steps in the application of chemometric's methods in their investigations. It allowed them to discuss their results, plans and ideas with experts, who use those methods in the wide areas of science and technology for a long time and have a great experience. There were many things that helped these associations and very friendly conference atmosphere was not least of them. It was a really good time!"

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WSC-3
The Third Winter School in Chemometrics (WSC-3) is planned for February 2004 in Pushkinskie Gory village, near Pskov, 300 km south of St. Petersburg. The organizers here plan for a significant foreign attendance in addition to a major Russian turnout, at which it is hoped to involve many St. Petersburg chemometricians in the organizational work.


Trigorskoe. Park 

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Last update 25.05.03