16.
dos Reis M. M., Biloti D. N., Pessine F. B. T., Ferreira M. M. C., “Human dental calculi analysis using total luminescence”.  Porsgrunn, Norway, 15-19/08/1999: 6th Scandinavian Symposium on Chemometrics (SSC6), Program & Abstracts, 89 (1999). Poster P29.

17.
Ferreira M. M. C., Antunes A. M., Volpe P. L. O., “A study of aminoacid transport through liquid membranes using UV-VIS spectroscopy”.  Porsgrunn, Norway, 15-19/08/1999: 6th Scandinavian Symposium on Chemometrics (SSC6), Program & Abstracts, 52 (1999). Oral L34.



This is a simplified version of the original conference site available at: http://www-pors.hit.no/~junh/ssc6/ssc6.htm 


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General Information
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General Information
The Scientific and the Organizing committees cordially invites you to participate in SSC6: The 6.th Scandinavian Symposium on Chemometrics in Porsgrunn, Norway, Aug. 15-19 1999. The symposium program will consist of oral presentations (invited as well as contributed lectures), poster sessions, exhibitions, tutorial courses a.o.
The aim of SSC6 in Porsgrunn, Norway, is to follow the successful tradition of the previous five Scandinavian Symposia - with focus on the highest quality scientific forum as well as providing for an enriching social program for all participants when at Telemark Institute of Technology.
The program of SSC6 and the book of extended abstracts will also appear on this SSC6 web-site.
Besides the inviting circular, distributed by international chemometric mail-listings, SSC6 will conduct all it's organisational business via internet (program information, registration, venue and travel info ):
SSC6's web-site homepage: http://www-pors.hit.no/~junh/ssc6/ssc6-front.htm
A parallel e-mail address will also be available for communication: ssc6@hit.no


Program
The scientific committee welcomes both applied and theoretical contributions covering all aspects of chemometrics. A set of invited key-note lectures will be arranged, each with the duration of 45 min. (pending funding from the Royal Norwegian Research Council). There will be a prize for the best lecture as well as for the best poster at SSC6. 
The program for SSC6 will be available in updated form on the web-site from Feb. 1999. 
Two special sessions are planned for SSC6:
  Process chemometrics and system identification & - control: A new friendship! 
  Applied chemometrics: The forefront of chemometrics at year 2000

Symposium tutorials & exhibitions
Opportunities for symposium tutorials as well as commercial exhibition space will be available. Interested companies and parties are encouraged to contact the organizing committee no later than December 15, 1998 (deadline for circular-II). Contact Mr. Thorbjørn T. Lied: ttlied@online.no

Social program
A social program for participants and/or accompanying persons outside the planned SSC6 joint activities is an offer courtesy of the county tourist organisation. Further information to be forwarded after registration. For your immediate curiosity see the following: Telemark-1, Telemark-2 and Porsgrunn.



Call for contributed papers
Participants are encouraged to present contributions to SSC6 either as oral lectures (duration 25 min. + 5 min. discussion) or as posters (approx. 1.20 x 1.80 meters). SSC6 will provide an extraordinary poster facility, present at all times in the main get-together areas of the symposium; SSC6 wants to direct renewed focus on high quality poster presentations. Participants are requested to state their primary preference (oral or poster) when registering for the conference. The scientific committee will select the final program of the conference and will decide on the final status of all contributions.

Language
The Symposium language will be English.

Publication of papers
All contributions presented as invited lectures, oral contributions or posters will all be considered for publication in a leading chemometrics journal, and will be subject to peer review for inclusion in the printed conference proceedings. All conference attendees will receive the published proceedings from SSC6 as part of the registration fee. 



Venue
Porsgrunn is a regional industrial and educational center in south-eastern Norway, easily accessible from all other Scandinavian countries as well as from abroad. The county of Telemark, where Porsgrunn is situated, boasts many varied visiting highlights, e.g. the birthplace of skiing and wonderful outdoor facilities (especially mountain hiking, recreational sailing and swimming in the summer). The city of Porsgrunn with Telemark Institute of Technology (HiT-TF) provides an excellent setting for SSC6 thanks to its range of services and tourist facilities. Of particular interest for SSC6: The coastal (southern) part of Telemark has the highest concentration of process industries in Norway, e.g. Norsk Hydro, Borealis, Union paper mill, NORCEM.

Travel to Porsgrunn
By plane, Porsgrunn is easily accessible by the convenient 55 min. Copenhagen-Sandefjord (Torp airport) link. From Torp airport, a SSC6-shuttle bus facility to Porsgrunn will be available at the beginning and the end of SSC6. There are also excellent possibilities for travelling to Porsgrunn by car along very scenic routes from Norway, Sweden and Denmark, e.g. Porsgrunn can be reached by car from Oslo in just about 2 hour's drive. Larvik (situated only 25 minutes away from Porsgrunn) is the key port for Color Line's popular ferry link to Denmark (either from Fredrikshavn or Skagen's 3-hour express connection), while Sandefjord (45 minutes away) is the port for Color Line's ferry to Strømstad in Sweden. More detailed travel information will be available after registration.
Porsgrunn will be most conveniently accessible by plane in 1999 by the 55 minute Copenhagen-Sandefjord air link operated by Widerøe. A shuttle bus service will be organised to transport the delegates to Porsgrunn on Tuesday the 10th August. The Oslo airport will be relocated to Gardemoen in late 1998, and delegates arriving there are advised to take trains via Oslo. A time table will be put on this web site as soon as one is available.

Porsgrunn can also be readily reached by car. From Sweden via the Strømstad-Sandefjord ferry links (2.5 hours) operated by Scandi Line or by the Fredrikshafen- or Skagen-Larvik express ferry links (3 hours) operated by Color Line.
Travel time by car are Oslo-Porsgrunn 2h, Sandefjord-Porsgrunn 45 minutes and Larvik-Porsgrunn 25 minutes. More details will be put on this web site in early 1999
Accommodation for SSC
Accommodation for SSC6 will be at "Hotel VIC" downtown Porsgrunn, situated only some 15 minutes walk from the conference location at HiT-TF. The organizers have reserved the entire hotel for the duration of SSC6. Whomever you'll meet at VIC during SSC6 will be a true "VIC": Very Important Chemometrician. SSC6 will be a singular opportunity for networking you'll not want to miss! Wonderful opportunities for individual extensions of your stay in Porsgrunn and Telemark are available, but will have to be made on a personal basis.
The organising committee will further your individual requests.
Single room: 750,- NOK person/night
Double room: 500,- NOK person/nigh


Registration (conference fee & travel costs)
Registration for SSC6 will be possible either via snail-mail or by e-mail: ssc6@hit.no.
Registration fee, travel and hotel costs
The registration fee for SSC6 will be $ 650 - The registration fee includes:
Airport shuttle Torp - Porsgrunn (beginng and end of conference)
Get together, Hotel VIC (Sunday evening Aug. 15.th)
All scientific symposium activities
Symposium program/abstract book
Proceedings journal issue
All coffee breaks, lunches and conference dinners, including the banquet. 
All joint social activities during SSC6 
Participants are responsible for their own travel arrangements (with the exception of the SSC6 airport shuttles to/from Torp airport). Hotel accommodation will also be individually paid for.


Organization
Symposium Chairman
Prof. Kim H. Esbensen, Telemark Institute of Technology & Tel-Tek

Scientific Committee
Prof. Kim H. Esbensen, HiT-TF(PT), Porsgrunn (chairman)
Dr. Agnar Høskuldsson, Technical University of Denmark, Copenhagen
Prof. Michael Sjöström, Umeå University, Sweden
Prof. Pentti Minkkinen, Lappeenranta University of Technology, Finland
Assoc. Prof. Torbjörn Lundstedt, Head of SPOC, Pharmacia & Upjohn, Uppsala, Sweden
Dr. Kristian Helland, BOREALIS, A/S, Bamble
M.Sc.(Eng.) Jørild Svalestuen, Norsk Hydro Research Center, Porsgrunn
Dr. Barry Wise, Eigenvector Research, Manson, Washington, USA
Dr. Pentti Manninen, Lahti Research Centre, Finland

Organizing Committee
Assoc. Prof. Rolf Ergon, HiT-TF
Mrs. Anita D. Thomassen
Mr. Olav T. Grande, TBR
Ph.D. stipendiate Maths Halstensen, HiT-TF 
Ph.D. stipendiate Thorbjørn T. Lied, HiT-TF
Ph.D. stipendiate Jun Huang, HiT-TF
Studies director Bjørn Goksøyr, HiT- central administration

ssc6@hit.no

Kjølnes Ring 56
N-3914 Porsgrunn
Norway
Tel: +47 35 57 50 35
Fax: +47 35 57 52 50

6th Scandinavian Symposium on Chemometrics

Sunday
August 15, 1999
14:00-20:00  Registration at Hotel VIC
18:00-20:00  Ice-breaker at Hotel VIC

 
Monday
August 16, 1999
08:00-09:00 Registration at Telemark College
09:00-09:25  Conference Opening, Kim H. Esbensen
   
Session 1:  Chairman Kim H. Esbensen
09:25-09:50  Charles E. Miller
Chemometrics for On-Line Spectroscopy Applications - Theory and Practice
09:50-10:15  A. K. Conlin, E. B. Martin and A. J. Morris
Confidence limits for contribution plots
10:15-10:30 Coffee Break and Refreshments
   
Session 2:  Chairman Magni Martens
10:30-10:55  Pentti Minkkinen, Marko Lallo, Pekka Sten and Markku J. Lehtinen
Analysis of mineral mixtures by using IR spectrometry
10:55-11:20  Åsa Lindgren
The use of multivariate methods and experimental design to improve the quality of ethyl-hydroxy-ethyl-cellulose
11:25-12:15 Barry Wise (invited guest lecturer)
What chemometricians and chemical engineers refuse to learn from each other
12:15-13:15  Lunch
   
Session 3:  Chairman Lars Munck
13:15-13:40  Magni Martens
Quality and the art of quantitative measurements
13:40-14:05 R. M. Dyson, A. Helg, K. Kaufmann, M. Länzlinger, M. Maeder, A. Zilian
Modern tools for reaction monitoring: spectral monitoring in situ: hard and soft analysis of «non-ideal» data
14:05-14:30 P. M. Andersson, M. Sjöström, S. Wold and T. Lundstedt
Comparison of molecular descriptors using multivariate methods
14:30-14:45  Coffee Break and Refreshments
   
Session 4:  Chairman Philip K. Hopke
14:45-15:10 Lennart Eriksson, Erik Johansson, Martin Müller and Svante Wold
On the selection of training set in environmental QSAR when chemical compounds are clustered
15:10-15:35  R. Leardi
The application of genetic algorithms for feature selection in spectral data sets
15:35-1600 Sven Ahlinder
Model based cross validation
16:00-16:25  Pekka Teppola and Pentti Minkkinen
Wavelet-PLS regression models for monitoring high- and low-frequency phenomena
16:30-18:00 POSTER Session P1-P42
17:00-18:30  Barbecue

 
 
 
Tuesday
August 17, 1999
Session 1:  Chairman Age Smilde
09:00-09:25 Philip K. Hopke, Chuanhai Liu and Donald B. Rubin
Multiple imputation for multivariate time series of the chemical concentrations of air pollution in the arctic
09:25-09:50  M. Sjöström, M. Edman and Å. Wieslander
Auto cross covariances in principal properties and other preprocessing methods for modelling of peptide sequences
09:50-10:15 Ruijie Shi and John F. MacGregor
Relationships among latent variable and subspace methods for the identification of dynamic models
10:15-10:30  Coffee Break and Refreshments
   
Session 2: Chairman Michael Sjöström
10:30-10:55 Rasmus Bro
Centering & scaling: is it simple?
10:55-11:20  Narinder Singh Sahni and Tormod Næs
The use of experimental design methodology and multivariate analysis in product development and process optimization
11:25-12:15 Harald Martens (invited guest lecturer)
Validation and optimization in chemometric data analysis
12:15-13:15  Lunch
   
Session 3:  Chairman Rasmus Bro
13:15-13:40  Johan A. Westerhuis, Ricard Boque and Age K. Smilde
Multiblock component and covariates regression models
13:40-14:05 Sabina Bijlsma and Age K. Smilde
Estimating reaction rate constants from a two-step reaction: A comparison between curve resolution and three-way methods
14:05-14:30 Age K. Smilde, Florian Wulfert, Wim Th. Kok and Onno E. de Noord
Continuous piecewise direct standardization. A method to correct for temperature induced spectral variation
14:30-14:45  Coffee Break and Refreshments
   
Session 4: Chairman Harald Martens
14:45-15:10 Torbjörn Lundstedt and Elisabeth Seifert
SPOC 1992-1998 - «An overview of chemometrics in drug development. From
 «lead finding» to production and process control
15:10-15:35  Tom Artursson, Martin Holmberg, Tomas Eklöv, Ingemar Lundström, Michael Sjöström and Per Mårtensson
Drift correction for gas sensors using multivariate methods
15:35-16:00 Agnar Höskuldsson
Analysis of dynamic systems
16:00-16:25  Kim H. Esbensen, Bart Braam, Maths Halstensen, Thorbjørn T. Lied, Jun Huang,   and Maria Lundhaug
Introducing «Camera-X», a new multispectral, 1-D scanning camera for virtual imaging - with compositional, textural and process monitoring application illustrations
16:30-18:00 POSTER session P1-P42
19:00-21:00  Dinner including lecture at Hotel VIC: Pierre Gy (invited guest lecturer) 
Theory of sampling for composite materials

 
 
 
Wednesday
August 18, 1999
08:30  Departure from Hotel VIC
09:30-10:45 Vestfold fylkesmuseum (Whaling section, Viking ship section and the Vestfold Farm)
11:00-12:00  Haugar Art gallery
12:00  Departure from Haugar Art gallery
12:45-13:45  Lunch at Fredtun folkehøgskole
13:45-14:30  Lecture: Kay Heydorn (invited guest lecturer)
Uncertainty - a great challenge for chemometrics
14:30-14:50 Coffee Break and Refreshments
14:50 Departure from Fredtun folkehøgskole
15:15-16:15 Mølen (National park with a unique archaeological history and fauna)
16:15  Departure from Mølen
17:00  Arrival Hotel VIC
18:00  Departure from Hotel VIC
18:30  River Boat trip down the Skien river with «MS Victoria»
20:00  Banquet at Café Osebro

 
 
 
Thursday
August 19, 1999
Session 1:  Chairman John F. MacGregor
09:00-09:25  Bjøn K. Alsberg
The parsimonious multi-scale classification model
09:25-09:50 Henrik Antti
Orthogonal signa correction of process NIR data
09:50-10:15  Richard Garner, Marc Van Bogaert, Hans Van Cauwenberghe, Werner Bilina and
Danny Maes
A comparison of some on- and off-line spectroscopical MVA applications in poly-olefin PP and HDPE production using FTIR, NIR and NMR
10:15-10:30  Coffee Break and Refreshments
   
Session 2:  Chairman Barry Wise
10:30-10:55 Marit Seim, Rune Mathisen, Per A. Hassel, Jens Solli, Anne Merete Bryntesen and  Kristian Helland
Challenges to face during installation and use of on-line NIR in a production plant
10:55-11:20  A. L. Pomerantsev
Non-linear regression analysis - new approach to the traditional implementation
11:20-11:45 Petteri Malkavaara, Jaakko Toivanen and Raimo Alén
Multivariate FTIR, NIR and UV/VIS spectroscopic analysis of unbleached and oxygen-delignified pine kraft pulp
11:45-12:10  Philip K. Hopke and Ji-Hong Wang
Analysis of multivariate microscopic images using positive matrix factorization
12:15-13:15 Lunch
   
Session 3: Chairman Kay Heydorn
13:15-13:40  Charlotte Wittrup
Comparison of chemometric methods for classification of fungal extracts
13:40-14:05 Márcia M. C. Ferreira, Alexandre M. Antunes and Pedro L. O. Volpe
A study of aminoacid transport through liquid membranes using UV-VIS spectroscopy
14:05-14:30  N. N. Khramov, S. A. Bartenev, G. S. Markov and V. N. Romanovskii
Properties of chemical elements and simple substances: Representation of periodicity in frequency domain
14:30-15:10  Conference Closing, Kim H. Esbensen
15:10-  Departure

LECTURES
 

L1. Chemometrics for On-Line Spectroscopy Applications -Theory and Practice

Charles E. Miller, DuPont, Center for Process Sensors and Analyzers, Wilmington DE 198800357, USA

L 2. Confidence limits for contribution plots

A.K. Conlin, E.B. Martin and A.J. Morris, Centre for Process Analytics and Control Technology, Merz Court, University of Newcastle, Newcastle upon Tyne, NE1 7RU, U.K.

L 3. Analysis of mineral mixtures by using ir spectrometry

Pentti Minkkinen a), Marko Lalloa), Pekka Stenb), and Markku J. Lehtinenc)

a)Lappeenranta University of Technology, Department of Chemical Technology, P.O. Box 20, FIN53851 Lappeenranta, Finland
b)State Research Centre, Mineral Technology, Outokumpu, Finland
c)Partek Nordkalk Oy Ab, Poikkitie 1, FIN53500 Lappeenranta, Finland (Present address: Geological Survey of Finland, R & D department/Mineralogy and Applied, Mineralogy, P.O.Box 96, FIN2151 Espoo, Finland)
L 4. The use of multivariate methods and experimental design to improve the quality of ethyl-hydroxy-ethyl-cellulose
Åsa Lindgren, Akzo Nobel Surface Chemistry AB, 444 85 Stenungsund, Sweden
L 5. Invited guest lecture:What Chemometricians and Chemical Engineers Refuse to Learn from Each Other
BARRY WISE,USA

L 6. Quality and the art of quantitative measurements

Magni Martens, The Royal Veterinary and Agricultural University, Rolighedsvej 30, DK1958 Frederiksberg, Danmark

L7. Modern Tools for Reaction Monitoring: spectral monitoring in situ; hard and soft analysis of ?non ideal? data
R. M. Dysona, A. Helga, K. Kaufmanna, M. Länzlingera, M. Maederb, A. Ziliana
a)Novartis Services AG., Scientific Services, Physics, CH4002 Basel, Switzerland
b)Department of Chemistry, University of Newcastle, Callaghan, NSW, 2308, Australia
L 8. Comparison of Molecular Descriptors using Multivariate Methods 
P.M. Anderssona, M. Sjöström , S. Wold and T. Lundstedtb
a)Dep. Of Chemistry, Umeå University
b) Melacure Therapeutics AB, Uppsala Science Park, SE 751 83, Uppsala, Sweden

L9. On the selection of training set in environmental QSAR when chemical compounds are clustered

Lennart Eriksson,1 Erik Johansson,1 Martin Müller,2 and Svante Wold.3

1)Umetrics AB, POB 7960, 907 19 Umeå, Sweden
2)Fraunhofer Institute for Environmental Chemistry and Ecotoxicology, P.O.B. 1260, D57377 Schmallenberg, Germany
3)Institute of Chemistry, Umeå University, S901 87 Umeå, Sweden
L10. The application of genetic algorithms for feature selection in spectral data sets
R. Leardi, Department of Pharmaceutical and Food Chemistry and Technology, University of Genova – Italy
L 11. Model based validation
Sven Ahlinder, Volvo
L 12. Wavelet-PLS Regression Models for Monitoring. High- and Low-Frequency Phenomena
Pekka Teppola and Pentti Minkkinen, Chemometrics Group,Department of Chemical Technology,Lappeenranta University of Technology, P.O. Box 20, FIN53851 Lappeenranta, Finland
L 13. Multiple imputation for multivariate time series of the chemical concentrations of air pollution in the arctic
Philip K. Hopke, Department of Chemistry, Clarkson University, Potsdam, NY 13699
Chuanhai Liu, Bell Laboratories, Lucent Technologies, Murray Hill, NJ 07974
Donald B. Rubin, Department of Statistics, Harvard University, Cambridge, MA 02138

L 14. Auto cross covariances in principal properties and other preprocessing methods for modelling of peptide sequences

M. Sjöströma, M. Edmana,b and Å. Wieslanderb

aResearch Group for Chemometrics and bDepartment of Biochemistry, Umeå University, S-901 87 Umeå, Sweden
L 15. Relationships Among Latent Variable and Subspace Methods for the Identification of Dynamic Models
Ruijie Shi and John F. MacGregor, Dept. of Chemical Engineering, McMaster University, Hamilton, ON, Canada
L 16. Centering & scaling: is it simple?
Rasmus Bro,LMT/MLI/ KVL, Denmark
L17. The use of Experimental Design Methodology and Multivariate Analysis in Product Development and Process Optimization
Narinder Singh Sahni1,2 and Tormod Næs2
1)MILLS DA, Innovation department, P.O. Box 4644 Sof., N-0506 Oslo, Norway,
2)MATFORSK, Norwegian Food Research Institute, Osloveien 1, N-1430 Ås, Norway,
L 18. Invited guest lectureValidation and optimization in chemometric data analysis 
HARALD MARTENS, DK (Norway)

L 19. Multiblock Component and Covariates Regression models

Johan A. Westerhuis1, Ricard Boqué2 and Age K. Smilde1

1 Process Analysis and Chemometrics, Department of Chemical Engineering, University of Amsterdam, Amsterdam 1018 WV, The Netherlands
Department of Analytical and Organic Chemistry, Rovira I Virgili University of Tarragona, Tarragona 43005, Catalonia, Spain.
L 20. Estimating Reaction Rate Constants from a Two Step Reaction: A Comparison Between Curve Resolution and Three Way Methods 
Sabina Bijlsma and Age K. Smilde, Process Analysis and Chemometrics, Department of Chemical Engineering, University of Amsterdam, Nieuwe Achtergracht 166, NL 1018 WV Amsterdam, The Netherlands

L 21. Continuous Piecewise Direct Standardization. A method to correct for temperature induced spectral variation

Age K. Smilde, Florian Wulfert, Wim Th. Kok, Process Analysis and Chemometrics, Department of Chemical Engineering, University of Amsterdam

Onno E. de Noord, Shell International Chemicals B.V, Shell Research and Technology Centre, Amsterdam

L 22. SPOC 1992-1998 – An overview of chemometrics in drug development. From ”lead finding” to production and process control

Torbjörn Lundstedt and Elisabeth Seifert
Melacure Therapeutics AB, Uppsala Science Park, SE-751 82 Uppsala, Sweden
L 23. Drift correction for gas sensors using multivariate methods 
Tom Artursson1, Martin Holmberg1, Tomas Eklöv1, Ingemar Lundström1, Michael Sjöström2 and Per Mårtensson3
1S SENCE and Division of Applied Physics, Linköping University, S 581 83, Linköping, Sweden
2Research Group for Chemometrics, Umeå University, S901 87, Sweden
3Nordic Sensor Technologies, S583 30, Linköping, Sweden
L24. Analysis of Dynamic Systems
Agnar Höskuldsson, AKP, DTU
L 25. Introducing ”Camera X”, a new multispectral line scan camera for virtual imaging – with compositional, textural and process monitoring application examples
Kim Esbensen, Telemark Institute of Technology, Porsgrunn, Norway,
Bart Braam, BBCom, Savitaipale, Finland

L 26. The parsimonious multi-scale classification model

Alsberg, Bjøn K., Department of Computer Science, Llandinam building, University of Wales, Aberystwyth, Ceredigion, SY23 3DB, United Kingdom

L27. Orthogonal signal correction of process NIR data 
Henrik Antti, Umeå University, S 901 87, Umeå, Sweden
L 28. A comparison of some on- and off-line spectroscopical MVA applications in polyolefin PP and HDPE production using FTIR, NIR and NMR 
Richard Garner1, Marc Van Bogaert2, Hans Van Cauwenberghe2, Werner Bilina3 and Danny Maes4
1Borealis Beringen, Belgium
2Borealis Kallo, Belgium
3Borealis Schwechat, Austria
4Borealis Rønningen, Norway
L 29. Challenges to face during installation and use of on-line NIR in a production plant
Marit Seim, Per A. Hassel, Rune Mathisen, Jens Solli, Anne Merete Bryntesen, Kristian Helland, Borealis Rønningen (Norway)

 

 

L 30. Non-linear regression analysis – new approach to the treditional implementation
A.L.Pomerantsev, Polycert, Institute of Chemical Physics RAS117977, Russia, Moscow, KosyginStr,4
L 31. Multivariate ftir, nir, and uv/vis spectroscopic analysis of unbleached and oxygen-delignified pine kraft pulp
Petteri Malkavaara, Jaakko Toivanen, and Raimo Alén, University of Jyväskylä, Department of Chemistry, Laboratory of Applied Chemistry, P.O. Box 35, FIN40351, Jyväskylä, Finland

L 32. Analysis of multivariate microscopic images using positive matrix factorization

Philip K. Hopke and Ji Hong Wang, Department of Chemistry, Clarkson University, Box 5810, Potsdam, NY, 136995810

Pentti Paatero Department of Physics, University of Helsinki, P.O. Box 9, FIN00014 Helsinki, Finland,
Thomas M Hancewicz, Advanced Imaging and Management, Unilever Research US, Edgewater, NJ 07020

L 33. Comparison of chemometric methods for classification of fungal extracts

Charlotte Wittrup, Department of Biotechnology, Building 221, Technical University of Denmark, 2800 Lyngby, Denmark

L 34. A study of aminoacid transport through liquid membranes using UV VIS Spectroscopy

Márcia M. C. Ferreira, Alexandre M. Antunes & Pedro L. O. Volpe, Instituto de Quimica – Universidade Estadual de Campinas, UNICAMP CAMPINAS – SP – 13083 970 Brazil

L 35. Properties of chemical elements and simple substances: representation of periodicity in frequency domain

N.N. Khramov, S.A. Bartenev, G.S. Markov, V.N. Romanovskii, V.G. Khlopin Radium Institute St. Petersburg, Russia

L36. Invited guest lecture:UNCERTAINTY – a great challenge for chemometrics

K. Heydorn, Denmark

L37. Invited guest lecture:THEORY of SAMPLING for composite materials
Pierre Gy, Ph.D , France

POSTERS
 
P1. Jackknife optimization of QSAR models 
Endre Anderssen, Frank Westad, Kay J. Steen, NTNU, Dept. of Chemistry, Group of Chemometrics
P 2. Multivariate Quantitative Structure- Activity Relationships for the Aquatic Toxicity of Alkyl Polyglucosides
Lise-Lott Uppgård and Michael Sjöström, Research Group for Chemometrics, Department of Organic Chemistry, Umeå University, S-901 87 Umeå, Sweden
P 3. Using miniature diode array nir spectrometers for measurements on moving samples, with a live demonstration
Lars Axrup, Korsnäs AB / Uppsala Universitet
P 4. On-line monitoring of a latex semi batch emulsion polymerization by fiber optic FT Raman spectroscopy 
C. Bauer1, B. Amram2, M. Agnely2, D. Charmot2, J. Sawatzki3, N. Dupuy1, L. Duponchel1, J-P. Huvenne1
1 Laboratoire de Spectroscopie Infrarouge et Raman, LASIR, CNRS, Bât. C5, Université des Sciences et Technologies de Lille, F59655 Villeneuve d'Ascq Cedex, France
2 RHODIA Centre de Recherches d'Aubervilliers, 52, rue de la Haie Coq, F93308 Aubervilliers Cedex, France
3 BRUKER OPTIK GmbH, Wikinstr. 13, D76189 Karlsruhe, Germany
P5. Wood Defects Identification by Spectroscopical Techniques: Preliminary Investigation 
Alessandro del Bianco[1]a, Roman Beneš*b, Edwin Deutschlc, Alfred Rinnhofferc aCarinthian Tech Research, Badstubenweg 40, A9500 Villach, Austria
bAnton Paar GmbH, Kärntnerstraße 322, A8054 Graz, Austria
bJoanneum Research FmbH, Institute of Digital Image
Processing, Wastiangasse 6, Graz, A8010 Austria
P 6.Object-oriented PLS generalisation

Kim H. Esbensen & Agnar Høskuldsson

P 7. Camera X: Multispectral line scan camera for virtual imaging

Bart Braam, BBCom, Sacitaipale, Finland, Kim.Esbensen, Telemark Institute of Technology, Porsgrunn, Norway

P 8. Nlr fitting of thermomechanic curves of electron beamed polyethylene and curing kinetics
E.V.Bystritskaya1, O.Ye.Rodionova1, N.Overbergh2
1Polycert, Institute of Chemical Physics RAS,Kosygin Str. 4, Moscow, 117977, Russia
2N.V. Raychem S.A.,Diestesteenweg 692, 3010 Kessel lo, Belgium
P 9. A chemometric study on the waste water treatment system in a metallurgical plant
Guido Crisponi, Franco Cristiani, Valeria M. Nurchi, Gaetano Verani, Dipartimento di Chimica e Tecnologie Inorganiche e Metallorganiche Via Ospedale 72, 09124 Cagliari (Italy), Riccardo Leardi, Dipartimento di Chimica e Tecnologie Farmaceutiche e Alimentari Via Brigata Salerno, 16147 Genova (Italy)

P 10. Classification of polymeric materials by Factor Analysis of factor analyzed thermochromatographic data

Matti Elomaa1, Charles H. Lochmüller2, Marina Kudrashova3, Mihkel Kaljurad3 1Laboratory of Polymer Chemistry, PB 55 FIN 00014 University of Helsinki Finland,

2P. M. Gross Chemical Laboratory, Duke University, Durham, NC 27708, USA,
3Institute of Chemistry, Akadeemia tee 15, Tallinn 12618, Estonia

P 11. Dynamic system multivariate calibration applied on acoustic data with low Y sampling rate

Rolf Ergon and Maths Halstensen, Telemark Institute of Technology

P12.Chemometric Mixture Design – Charting the Course

Lennart Eriksson, Erik Johansson and Conny Wikström, Umetrics AB, POB 7960, 907 19 Umeå, Sweden.

 

 

P 13. Principles of proper validation
Kim Esbensen, Telemark Institute of Technology, Porsgrunn, Norway,
Jun Huang, HiT/TF, Porsgrunn, Norway
P 14. Resolution of multicomponent peaks by opa, pmf and als
A.Garrido Frenich, Department of Analytical Chemistry, University of Almeria, 4071 Almeria, Spain, D.L. Massart, Free University of Brussels, Pharmaceutical Institute, Laarbeeklaan 103, B1090 Brussels, Belgium, Ji Hong Wang and P.K. Hopke, Department of Chemistry, Clarkson University, Potsdam, NY 136995810
P 15. Evaluation of techniques for determining kinetic parameters from multiwavelength spectroscopic data
Erik Furusjö and Lars Göran Danielsson, Analytical Chemistry, Royal Institute of Technology, SE100 44 Stockholm, Sweden

 

 

P 16. Multivariate methods in developing an evolutionary strategy for tablet formulation
Jon Gabrielsson, Research Group for Chemometrics, Organic Chemistry, University of Umeå
P 17. In-line hemometric prediction of grain-size distributionspecifications by using Novel multivariate sensor technology and three-way decomposition – with powder, aggregate particulate matter and industrial transportation monitoring samples
Maths Halstensen, HiT/TF, Porsgrunn, Norway, Kim Esbensen, Telemark Institute of Technology, Porsgrunn, Norway
P18. On-line determination of colloidal wood resin (pitch) in papermaking process waters by acoustic chemometrics

Kenneth E. Sundberg1 and Kim H. Esbensen2, Maths Halstensen2,
1 Raisio Chemicals, Raisio, Finland


2 Telemark College (ACRG), Porsgrunn, Norway

P19. Multivariate Image Regression (MIR): Implementation image PLS R – first forays
Thorbjørn T. Lied, HiT/TF, Porsgrunn, Norway, Kim Esbensen, HiT/TF, Porsgrunn, Norway
P20. RAM based neutral nets and PLS classification
Christian Linneberg, IntellixAKP, DTU and Agnar Höskuldsson, AKP, DTU
P 21. Dithionite bleaching of thermomechanical pulp: factors having effects on bleaching effiency
Petteri Malkavaara, Jukka Pekka Isoaho, Raimo Alén, and Jori Soininen, University of Jyväskylä, Department of Chemistry, Laboratory of Applied Chemistry, P.O. Box 35, FIN40351, Jyväskylä, Finland
P 22. Prediction of bleaching properties of stored wood using NIR-spectroscopy and multivariate calibration
David Nilsson, Department of Organic Chemistry, Umeå University
P 23. A comparison of electrical bioimpedance (EBI) spectrometry and NIR in the study of skin disorders for diabetic patients
Josefina Nystroem, Paul Geladi, Anders Nilsson*, Stig Ollmar**, Folke Lithner, Ulf Bertheim , Jan Eriksson & Britta Sethson Umeå University *Bruker Sverige, Taeby **Karolinska Institute, Huddinge

P 24. Traditional and modern chemometric techniques – application of kinetic analytical data to dyadic and triadic systems

I.A.Pettas, M.I.Karayannis, Laboratory of Analytical Chemistry, Department of Chemistry, University of Ioannina, 45110 Ioannina, Greece

 

 

P 25. Application of partial least squares multivariate calibration for the determination of the hydroxyl group content in calcined silica by diffuse reflectance infrared spectrometry
M. Peussa, S. Härkönen and L. Niinistö, Laboratory of Inorganic and Analytical Chemistry, Helsinki University of Technology, P.O. Box 6100, FIN02015 Espoo, Finland

P 26. Nlr software tools - what is the best?

 A.L.Pomerantsev, O.Ye.Rodionova, Polycert, Institute of Chemical Physics RAS 117977, Russia, Moscow, Kosygin str,4

P 27. Multivariate batch modeling and bspc used in bioprocess engineering
Tarja Rajalahti and Terhi Siimes, Whitelake Software Point Oy, Valkjärventie 1, FIN 02130 Espoo, Finland
P 28. Batch Statistical Process Control, BSPC. An approach based on observation, and batch level monitoring
Stefan Rännar and Lennart Eriksson, Umetrics AB, Box 7960, S907 19 Umeå, Sweden
P 29. Human dental calculi analysis using total luminescence
M. M. Reis, D. N. Biloti, F. B. T. Pessine and M. M. C. Ferreira, Department of Physical Chemistry, Institute of Chemistry, State University of Campinas – UNICAMP, 13081-970, Campinas, SP, Brazil
P30. Applicability of MIR spectroscopy in modeling of oil properties:viscosity index and pour point

Satu-Pia Mujunen, Pentti Minkkinen, 


Jukka Myllyoja, Annikki Perkio, Alpo Toivo, 
Taito Vaanaen

P 31. Optimization constrained by the principal directions of variationin the X-matrix
Ketil Svinning, Norcem AS
P 32. Multiresolution analysis and compression of time series in multivariate process monitoring using the wavelet transform
Johan Trygg and Svante Wold, Research Group for Chemometrics, Institute of Chemistry, Umeå University, 901 87 Umeå, Sweden
P 33. Application of PARAFAC2 to Fault Detection and Diagnosis in Semiconductor Etch



Barry Wise, Neal Gallagher and Elaine B. Martin,Eigenvector Research, Inc., USA
P 34. Concepts and applications of a Jack- knifing technique for estimation of parameter uncertainties in multivariate models
Frank Westad1 , Michael Byström1and Harald Martens2
1CAMO ASA, Box 1405 Vika, 0115 Oslo, Norway
2The Technical University of Denmark, Institute of Biotechnology, Denmark and Norwegian University of Science and Technology, 7034 Trondheim, Norway
P 35. Synchronizing the trajectories of the process variables for on-line monitoring of batch runs with unequal duration
Johan A. Westerhuis1, Theodora Kourti*, Athanassios Kassidas2, Paul. A. Taylor, John F. MacGregor, McMaster Advanced Control Consortium, Department of Chemical Engineering, McMaster University, Hamilton, ON, Canada, L8S 4L7

P 36. Product improvement of cooking fat using experimental design and sensory evaluation

Malin Wikström, Research Group for Chemometrics, Department of Chemistry, Umeå University, SE-901 87 Umeå

P 37. Total body composition measured by Dual-Energy X-ray Absorption (DEXA) and Electrical Bioimpedance (EBI), a comparison using chemometrics
Jasintha Åberg, Lena Håglin, Paul Geladi, Britta Sethson, Umeå University
P 38. Multi- and Megavariate Calibration in Quantitative Analysis with LC/MS (Poster)
Dan Bylund, Rolf Danielsson and Karin E. Markides
Department of Analytical Chemistry, Uppsala University, Box 531, S-751 21 Uppsala, Sweden
P 39. NIR spectrometry as an alternative to classical polyolefin analysis techniques
Part A:off-line NIR polypropylene analysis: Peter Mayo, Heinz Kamon, Johan Berger: Borealis Schwechat
P 40. NIR spectrometry as an alternative to classical polyolefin analysis techniques
Part B: off-line NIR polyethylene analysis: Markku Vahteri, Irma Heikkinen, Markku Asumalahti, Jyrki Salminen: Borealis Porvoo (Finland)
P 41. Interval partial least squares regression (IPLS)



Jesper Wagner


Department of Dairy and Food Science
Food Technology
Rolighedsvej 30, DK-1958 Frederiksberg C
Denmark

P 42.Prediction of Malt Quality using Near Infrared Spectroscopy and Chemometrics
Jesper Wagner


Department of Dairy and Food Science
Food Technology
Rolighedsvej 30, DK-1958 Frederiksberg C
Denmark