Chemometrics Group in
Semenov Institute of Chemical Physics (ICP RAS)

   Russian

   English

Alexey Pomerantsev and Oxana Rodionova -
 members of the group

Team

Oxana Rodionova

Alexey Pomerantsev

How to find us

Our friends

Our enemies

Research

SIC

Matlab for SIC

Nonlinear regression

Statistics

SIMCA

SBE

Fitter Add-in

Counterfeit Drugs  

PAT & QBD

Chemometrics in Excel    

Data

Projects

Drushbametrics

Distance Learning

Events

DM-0.5

WSC-1

WSC-2

WSC-3

WSC-4

WSC-5

WSC-6

WSC-7

WSC-8

WSC-9

WSC-10

WSC-11

Links

RCS

ICP RAS

Group News

October 10, 2017

A paper has been published:

R.G. Brereton, J. Jansen, J. Lopes, F. Marini, A. Pomerantsev, O. Rodionova, J.M. Roger, B. Walczak, R. Tauler, "Chemometrics in analytical chemistry—part I: history, experimental design and data analysis tools",  Anal Bioanal Chem 409, 5891–5899 (2017)  

 

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August 1, 2017

Two papers are published:

A.L. Pomerantsev, O.Ye. Rodionova, A.N. Skvortsov "Diffuse Reflectance Spectroscopy of Hidden Objects, Part I: Interpretation of the Reflection-Absorption-Scattering Fractions in Near-Infrared (NIR) Spectra of Polyethylene Films", Appl. Spectrosc., 71(8), 1760-1772 (2017)

A.L. Pomerantsev, O.Ye. Rodionova, A.N. Skvortsov "Diffuse Reflectance Spectroscopy of Hidden Objects. Part II: Recovery of a Target Spectrum", Appl. Spectrosc., 71(8),1773-1784 (2017)

 



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May 23, 2017

A paper has been published:

Y.V. Zontov, O.Ye. Rodionova, S.V. Kucheryavskiy, A.L. Pomerantsev, "DD-SIMCA – A MATLAB GUI tool for data driven SIMCA approach",  Chemom. Intell. Lab. Syst. 167, 23-28 (2017)  

 

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May 15-19, 2017

Oxana Rodionova and Alexey Pomerantsev took part in the first Research Coordination Meeting  on the project “Field-deployable analytical methods to assess the authenticity, safety and quality of food” (D52040 and G42007) in IAEA Headquarters, Vienna.
The talk title

A.L. Pomerantsev, O.Ye. Rodionova "Elaboration of a set of strategies and end-user software application tools for solving food authentication/quality assessment problems using multivariate analytical signals and chemometrics (G42007)"

 

February 1, 2017

A paper has been published:

A.L. Pomerantsev, A.V. Kutsenova, O.Ye. Rodionova, "Kinetic Analysis of Nonisothermal Solid-State Reactions. Multi-stage Modeling without Assumptions on the Reaction Mechanism", Phys. Chem. Chem. Phys., 19, 3606-3615 (2017)

 

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December 15, 2016

Chemometrics Workshop was held in Vienna University of Technology in the laboratory CSTAT  of Institut fur Stochastik und Wirtschaftsmathematik
(Ao.Univ.-Prof. DI Dr. Peter Filzmoser)

Two lectures have been given:

Alexey Pomerantsev "SIMCA: Forty years but still grows"
Oxana Rodionova  "Chemometrics in Russia"

December 12-14, 2016

Course "Chemometrics in Excel" was given for given for the specialists of the FAO/IAEA Agriculture and Biotechnology Laboratories.

10 persons from 6 countries participated.

December 1, 2016

A paper has been published:

M. Fidelis, J.S. Santos, A.L. Kincheski Coelho, O.Ye. Rodionova, A. Pomerantsev, D. Granato "Authentication of juices from antioxidant and chemical perspectives: A feasibility quality control study using chemometrics", Food Control, 73 ,796-805 (2017) 

 

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October 20, 2016

A paper has been published:

O.Ye. Rodionova, P. Oliveri, A.L. Pomerantsev, "Rigorous and compliant approaches to one-class classification", Chemom. Intell. Lab. Syst. 159, 89-96 (2016) 

 

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August 18, 2016

A paper has been published:

Y.V. Zontov, K.S. Balyklova, A.V. Titova, O.Ye. Rodionova, A.L. Pomerantsev, "Chemometric aided NIR portable instrument for rapid assessment of medicine quality", J.Pharm. Biomed. Anal., 131, 87-93 (2016) 

 

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June 10, 2016

Alexey Pomerantsev has participated as keynote speaker at XVI conference Chemometrics in Analytical Chemistry (CAC-2016), Barcelona, June 6-10 2016 .
The lecture title
 
                              "Spectroscopy undercover: investigation of hidden objects"

February 1, 2016

A paper has been published:

O.Ye. Rodionova,  A.V. Titova, A.L. Pomerantsev, "Discriminant analysis is an inappropriate method of authentication", Trends Anal. Chem., 78 (4), 17-22 (2016) 

 

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January 1, 2016

Two papers are published:

O. Ye. Rodionova, A. L. Pomerantsev "Application of the Curve Resolution Method to the Preprocessing Spectral Data in Two-layer Systems", J.Anal.Chem.,71, 56–61 (2016)

O.Ye. Rodionova, A.L. Pomerantsev "Non-linear Multivariate Curve Resolution Applied to Spectrophotometric Determination of Cerium(III) in Aqueous Nitric Acid Solutions for Process Control", Anal. Methods, 8, 435-444 (2016)

 

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November 1, 2015

The XIII Edition of National Pharmacopeia of Russian Federation has been published. It contains new General Chapter .1.2.1.1.0001.15 

O.E. Rodionova, A.V. Titova at al.  “Near Infrared Spectrometry”,  pp 350-362   (in Russian)

 

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September 1, 2015

Oxana Rodionova participated in the APEC "Training Program Workshop on Global Medical Product Integrity and Supply Chain Security" held in Cebu, Philippines.
Presentation
 
                              Anna Titova , Oxana Rodionova  "Mobile laboratory. Russian experience"

June 20, 2015

Oxana Rodionova and Alexey Pomerantsev participated in the 13th Scandinavian Symposium on Chemometrics (SSC13), held in Chia, Sardinia, Italy with presentations:
O.Ye. Rodionova, A.L. Pomerantsev
                               "Chemometric Aid for Low Resolution Instruments"
A.L. Pomerantsev, O.Ye. Rodionova
                              "Abnormal View of Linearity"
  

March 25, 2015

A paper has been published 

O.Ye. Rodionova, T.I. Tikhomirova, A.L. Pomerantsev "Spectrophotometric Determination of Rare Earth Elements in Aqueous Nitric Acid Solutions for Process Control",  Anal. Chim. Acta ,869: 59-67 (2015)

 

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February 14, 2015

Oxana Rodionova participated in the 2nd International Conference on Perspectives in Chemometrics (ICOPIC 2015) held in Chennai, India with an invited lecture :
                               "How do Near Infrared Spectroscopy (NIR) and Chemometrics Help in Pharmaceutical Applications? "
  

October 25, 2014

A paper has been published 

A.L. Pomerantsev, Yuri V. Zontov, O.Ye. Rodionova "Nonlinear multivariate curve resolution alternating least squares (NL-MCR-ALS)", J. Chemometrics, 28: 740–748 (2014)

 

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June 20, 2014

A book has been published

A.L. Pomerantsev, Chemometrics in Excel, Wiley, 336 pages, 2014 , ISBN: 978-1-118-60535-6

 

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June 17, 2014

Oxana Rodionova and Alexey Pomerantsev participated in the 14-th International Conference on Chemometrics in Analytical Chemistry (CAC-2014), held in Richmond VA, USA with presentations:
O.Ye. Rodionova, Y.V. Zontov, A.L. Pomerantsev (oral)
                               "MCR calibration vs. PLS calibration. Analysis of spectrophotometry data"
A.L. Pomerantsev, O.Ye. Rodionova (poster)
                              "SIMCA as a one-class classifier "
  

June 1, 2014

Two papers are published:

A.L. Pomerantsev, O.Ye. Rodionova, "On the type II error in SIMCA method",  J. Chemometrics, 28, 518-522 (2014)

O.Ye. Rodionova, K.S. Balyklova, A.V. Titova, A.L. Pomerantsev "Quantitative risk assessment in classification of drugs with identical API content",  J. Pharm. Biomed. Anal. 98, 186-192 (2014)

 

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May 29, 2014

Oxana and Alexey participated in international conference «Quality of medicines and medical devices. Modern approach and requirements» in Moscow and presented invited lectures:
O. Rodionova
                           "Improving application of the express methods for the quality control of medicines. Russian and international practices "
A. Pomerantsev
                           "Process analytical Technology"
  

May 11, 2014

A paper has been published 

A.L. Pomerantsev, O.Ye. Rodionova, "Concept and role of extreme objects in PCA/SIMCA",  J. Chemometrics, 28, 429–438 (2014)

 

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February 20, 2014

A book has been published

A.L. Pomerantsev, Chemometrics in Excel: tutorial,  Tomsk, TPU, 2014, 435 pages, (ISBN 978-5-4387-0374-7), In Russian

December 11, 2013

A paper has been published 

O.Ye. Rodionova, K.S. Balyklova, A.V. Titova, A.L. Pomerantsev "The Influence of Fiber-Probe Accessories Application on the Results of Near-Infrared (NIR) Measurements", Appl. Spectrosc., 67(12), 1401-1407 (2013)

 

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November 1, 2013

Oxana Rodionova and Alexey Pomerantsev participated in Second International Conference on New Trends in Chemometrics and Applications (NTCA-2013),  faculty of Pharmacy of Ankara University, Turkey, with invited lectures
O.Ye. Rodionova.
                               "Data Driven Method For Intact Tablets’ Recognition"
A.L. Pomerantsev.
                              "SIMCA Revised: A Dual Data Driven Approach "
Additionally, Oxana gave a course
 "Chemometrics Add-in: Multivariate Data Analysis in Excel"

June 10, 2013

Oxana Rodionova participated in 16th International Conference on Near Infrared Spectroscopy (ICNIRS) took part in La Grande-Motte, France.
Two posters have been presented:
O.Ye. Rodionova, N.G. Izmaylova, K.S. Balyklova, A.V. Titova, A.L. Pomerantsev
              "Feasibility of 3D-SIMCA application for explorative analysis and classification of drugs with identical API content"
N.G. Izmaylova, O.Ye. Rodionova, K.S. Balyklova, A.V.Titova
              "Distinctive features of NIR measurements with a fiber-optic probe"

October 26, 2012

Oxana Rodionova and Alexey Pomerantsev visited Mining and Chemical Combine in town Zheleznogorsk, Krasnoyarsk Krai and participated in the conference "Spent Nuclear Fuel in Russia".
The lecture "Modern methods of process control" has been presented.

October 20, 2012

Alexey Pomerantsev visited  Sofia University "St. Kliment Ohridski" and gave the course "Chemometrics in Excel"  for the students of Faculty of Chemistry and Pharmacy

The lecture "PAT solutions for pharmaceutical industry" was presented for the faculty staff.

October 1, 2012

Oxana Rodionova visited China as a member of official  delegation from Federal Service on Surveillance  in Healthcare (Roszdravnadzor.) 

July 1, 2012

Alexey Pomerantsev participated in the 13-th International Conference on Chemometrics in Analytical Chemistry (CAC-2012), held in Budapest, Hungary with an invited lecture

A.L.Pomerantsev, O.Ye. Rodionova "Use and abuse of robust PCA"

June 23, 2011

A review has been published 

A.L. Pomerantsev, O.Ye. Rodionova, "Process analytical technology: a critical view of the chemometricians ", J. Chemometrics, 26, 299-310 (2012)

 

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December 8, 2011

Oxana Rodionova  participated in workshop"Drug quality control using the methods of express-diagnostics" with a lecture:
O.Ye. Rodionova, A.L. Pomerantsev "Peculiarities of application NIR spectroscopy for express-control of quality of medicines"  

October 26, 2011

A paper has been published 

A.L. Pomerantsev, O.Ye. Rodionova, M. Melichar, A.J. Wigmore, A. Bogomolov "In-line prediction of drug release profiles for pH-sensitive coated pellets " Analyst, 136 (22), 4830 - 4838 (2011)

 

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October 11, 2011

Oxana Rodionova and Alexey Pomerantsev participated in the First International Conference on New Trends in Chemometrics and Applications (NTCA-2011), took place in Side, Antalya, Turkey, 8-11 October 2011
Two invited lectures have been given

A.L. Pomerantsev "PAT solutions for pharmaceutical industry "
O.Ye. Rodionova "NIR based approach for counterfeit drugs’ detection "

October 3, 2011

Alexey Pomerantsev presented a lecture in Bashkir State University at school-conference for students and young scientists "Basic mathematics and its applications in natural sciences".
Lecture topic "Multivariate Curve Resolution"  

September 18, 2011

Oxana Rodionova  participated in the 16th European  Conference on Analytical Chemistry  (EuroAnalysis 16) held in Belgrade, Serbia with lecture
O.Ye. Rodionova, A.L. Pomerantsev "Near Infrared Spectroscopy as a Challenging Analytical Tool "  

April 13, 2011

Alexey Pomerantsev participated in International Conference on Perspectives in Chemometrics (ICOPIC 2011) held in Chennai, India as an invited speaker with lecture
A.L. Pomerantsev "PAT solutions for pharmaceutical industry"  

October 21, 2010

Oxana Rodionova and Alexey Pomerantsev participated in the 11-th International Conference on Chemometrics in Analytical Chemistry (CAC-2010) held in Antwerp, Belgium.
Three presentation have been made
A.L. Pomerantsev, O.Ye. Rodionova, M. Melichar, A.J. Wigmore and A. Bogomolov "In-line prediction of drug release profile for pH-sensitive coated pellets"
O.Ye. Rodionova, A.L. Pomerantsev, L.P. Houmøller, A.V. Shpak and O.A. Shpigun "Comparison of NIR non-invasive detection of counterfeited ampoules with wet chemistry analysis"
A.N. Skvortsov, A.L. Pomerantsev "Rotation ambiguities and convergence of the iterative self-modelling MCR methods for the non-negative constraints " 

Kurt Warmuza, Oxana & Alexey
photo
B. Walszak

August 15, 2010

A paper has been published 

O.Ye. Rodionova, A.L. Pomerantsev,"NIR based approach to counterfeit-drug detection" Trends Anal. Chem., 29 (8), 781-938 (2010)

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July 17, 2010

A paper has been published 

A.L. Pomerantsev, O.Ye. Rodionova,"Chemometric view on “comprehensive chemometrics”" Chemom. Intell. Lab.Syst., 103 (1), 19-24 (2010)

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June 28, 2010

Chemometrics Workshop - Wien 2010 was held in Vienna University of Technology in the laboratory for chemometrics (prof. Kurt Varmuza)

Three presentations have been given:

O.Ye. Rodionova  Application of NIR for counterfeit drug detection. Another proof that chemometrics is usable: NIR confirmed by HPLC-DAD-MS and CE-UV 
A.L. Pomerantsev PAT solution to the drug release prediction 
A.L. Pomerantsev Chemometrics in Excel

June 22-23, 2010

Course "Chemometrics in Excel" was given in the frame of the 5th International Symposium on Computer Applications and Chemometrics in Analytical Chemistry (SCAC2010).

15 persons from 7 countries participated.

Course booklet

June 20, 2010

A paper has been published

O.Ye. Rodionova, A.L. Pomerantsev, L. Houmuller, A.V.Shpak, O.A. Shpigun " Noninvasive detection of counterfeited ampoules of dexamethasone using NIR with confirmation by HPLC-DAD-MS and CE-UV methods " Anal Bioanal Chem  397, 1927–1935 (2010)

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February 15, 2010

Course "Chemometrics in Excel" was given in St Petersburg Technol. University of Plant Polymers before WSC-7 symposium.

5 persons from 3 countries participated.

Course booklet

September 19, 2009

In university Sapienza (Rome) was held a discussion on preparations to the next call of international TEMPUS programme. 

There were the useful and pleasant talks with Federico Marini -the project co-ordinator.

May 18, 2009

Lappeenranta Technical university held the concluding meeting within the project "Distance Learning Course in Chemometrics for Technological and Natural-Science Mastership Education".

The meeting includes a one-day workshop on Chemometrics and the classes on "Chemometrics in Excel" where  a novel software Chemometrics Add-In has been presented 

The project is completed.    

May 7, 2009.

A paper has been published in the special issue of ACA, with contributions from CAC-2008:

O.Ye. Rodionova, Ya.V. Sokovikov, A.L. Pomerantsev " Quality control of packed raw materials in pharmaceutical industry" Analytica Chimica Acta , 642(1-2),  222-227 (2009) 

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May 6, 2009

Two papers have been published in the special  WSC-6 issue of  ChemoLab: 

I.A. Starovoitova, V.G. Khozin, L.A. Abdrakhmanova, O.Ye. Rodionova, A.L. Pomerantsev "Application of nonlinear PCR for optimization of hybrid binder used in construction materials", Chemom. Intell. Lab.Syst., 97 (1), 46-51 (2009) 

O.Ye. Rodionova, A.L. Pomerantsev "Simple view on Simple Interval Calculation (SIC) method"  Chemom. Intell. Lab.Syst., 97 (1), 64-76 (2009)

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March 19, 2009 

Oxana Rodionova visited Institute for Transuranium Elements in Karlsruhe  and took part in  ESARDA  workshop "Impurity measurements in Uranium samples".  

The presentation 

         Application of chemometric methods for evaluation of the trace element analysis
  
has been given
    

February 14, 2009 

S. Petersburg University of Plant Polymers held the second meeting within the project "Distance Learning Course in Chemometrics for Technological and Natural-Science Mastership Education".

The meeting consisted of a one-day conference "Methodological Aspects of Chemometrics Teaching in Europe including Russia" and a workshop "Chemometrics in Excel" that was dedicated to the a novel software Chemometrics Add-In designed for education of multivariate data analysis .

The next meeting will be held in Lappeenranta, in May 2009.
    

December 8, 2008

Alexey Pomerantsev  and  Oxana Rodionova took part in the First Symposium of South African Chemometrics Society  (Stellenbosch University). The following presentations were given:

    Alexey Pomerantsev "Acceptance areas for multivariate statistical process control and classification"
    Oxana Rodionova "Two-stage approach for quality control of packed raw materials" 
    Alfred Suleimanov "Application of multivariate analysis for prediction of polymer materials durability"

Additionally two workshops "Chemometrics in Excel" have been conducted - in Stellenbosch and in  UNISA (Pretoria). 
Alexey gave a lecture "Distance Learning Course in Chemometrics for Technological and Natural-Science Mastership Education" in UNISA.

Workshop presentation

November 30, 2008

Two papers have been published in the special  SSC-10 issue of  J. Chemometrics: 

Alexey L. Pomerantsev "Acceptance areas for multivariate classification derived by projection methods", J. Chemometrics,  22,  601-609 (2008) 

 Oxana Y. Rodionova, Alexey L. Pomerantsev "Subset selection strategy", J. Chemometrics,  22, 674-685 (2008)

 

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October 23,  2008

Two-days course on chemometrics took place in the training unit of the Perm petroleum refinery "LUKOIL-Permnefteorgsintez". 
The course goal was education of the methods applied for calibration of the laboratory analyzer Guided Wave.

October 10,  2008

Alexey Pomerantsev participated in the All-Russia conference of young scientists on mathematical and quantum chemistry took place in the Bashkir State University (Ufa city).
Invited lecture on topic "Multivariate Statistical Process Control" was given.

October 3,  2008

The first, kick-off  workshop within the project "Distance Learning Course in Chemometrics for Technological and Natural-Science Mastership Education" took place in Aalborg University Esbjerg (Denmark). The project, supported by Nordic Consuls of Ministers, is mainly devoted to development of new chemometric mastership program with emphasis on distance and virtual learning.
The following scientists took part in the workshop: Nadezhda Khodyreva, Oleg Yanush and Tatiana Markova  (St. Petersburg Technological University of Plant Polymers),   Satu-Pia Reinikainen and Jarno Kohonen (Lappeenranta University of Technology), Sergey Kucheryavskiy (Aalborg University Esbjerg), Alexey Pomerantsev and Oxana Rodionova (Semenov Institute of Chemical Physics).
The plans to create a network for collecting and exchanging information on the distance and virtual learning have been discussed.
The next meeting will take place in St. Petersburg, in February 2009

September 1,  2008

Oxana Rodionova became a member of the Editorial Board of  Journal of  Chemometrics.

August 10,  2008

Oxana Rodionova spend two weeks in Wien working as an invited expert in IAEA - International Atomic Energy Agency 
The IAEA specialists are interested in implementation of new approach to SIMCA classification and will used this chemometric method in solving their problems.

July 7,  2008

Oxana Rodionova and Alexey Pomerantsev participated in the 11-th International Conference on Chemometrics in Analytical Chemistry (CAC-2008), held in Montpellier, France 
Three presentations were made: 
              A.L. Pomerantsev "Acceptance areas in SIMCA method"
              O.Ye. Rodionova, Ya.V. Sokovikov, A.L. Pomerantsev "Quality control of packed raw materials in pharmaceutical industry"
              O.Ye. Rodionova, A.L. Pomerantsev "Early experience in the NIR-based detection of counterfeit drugs"                

October 17,  2007

Oxana Rodionova has defended a Full Doctor thesis "Interval approach to the analysis of  large physical and chemical data". .Specialty is Doctor of Science in Chemical Physics.  
Special Council:     Institute of Chemical Physics RAS 
Opponents:
                                          prof. Stanislav Razumovskiy 
                                          prof. Vasily  Dement'ev
                                          prof. Semen Spivak

August 15, 2007

Three papers have been published in the special WSC-5 issue of  ChemoLab 

K.H. Esbensen, O.Ye. Rodionova, "Foreword — Chemometrics in Russia: The first five-year plan fulfilled", Chemom. Intell. Lab.Syst., 88 (1), 1-2 (2007)

E.V. Mikhailov, O.V. Tupicina, D.E. Bykov, K.L. Chertes, O.Ye. Rodionova, and A.L. Pomerantsev "Ecological assessment of landfills with multivariate analysis — A feasibility study", Chemom. Intell. Lab.Syst., 88 (1), 3-10 (2007)

A. Hoskuldsson, O. Rodionova and A. Pomerantsev "Path modeling and process control" Chemom. Intell. Lab.Syst., 88 (1), 84-99 (2007)

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July 18, 2007

Oxana Rodionova, Kim Esbensen and Alexey Pomerantsev visited Dusseldorf  (Germany). Two days workshop on chemometrics was conducted at Henkel company
The workshop was opened with two lectures
:
       K.H. Esbemsen -- Introduction to chemometrics. 
      A.L. Pomerantsev  -- Chemometrics is a key to
success
Alexey's presentation is available here.  

The workshop was concluded by the hands-on classes with a training in  SIMCA-P software

June 8, 2007

Now the  SIC method is implemented in MATLAB script-language. The program includes two main modules: SIC_result and SIC_OSP, named in accordance with their basic functionality. The SIC_result module calculates the estimation of the maximum error deviation Beta and SIC intervals, using the calibration and test datasets, provided by the user. The SIC_OSP module employs the output of the SIC_result procedure for calculation of the SIC-Residuals,  SIC-Leverages and construction of the Object Status Plot. The program author is a graduate student Yury Zontov.

Program description

April 8, 2007

Oxana Rodionova and Alexey Pomerantsev visited Omsk (Western Siberia). Two days courses on chemometrics were given in Omsk State University. Furthermore two workshops were conducted. The topics were as follows:
       A. Pomerantsev -- Process analytical technology. 
       O. Rodionova   --  Interval based approach to linear calibration. Simple Interval Calculation method

Presentations (in Russian) are available here.  In the picture are Oxana, Alexey and the people from Omsk SU

March 21, 2007

Two lectures were given at the department of analytical chemistry of Moscow State University. They were dedicated to the concept of hidden (latent) variables in chemical analysis.  
                         A. Pomerantsev  --  Part I. Qualitative analysis 
                          O. Rodionova    --   Part II. Quantitative analysis

 

March 12, 2007 

Oxana Rodionova and Alexey Pomerantsev visited Germany.  Two lectures have been given at the Technische Universitat Braunschweig:
                        A. Pomerantsev -- A kinetic approach to the landfill exploration. 
                        O. Rodionova   -- A chemometric approach to the landfill exploration

In the picture are Alexey and the BU people (left to right) Andreas Haarstrick  and Kaj Münnich. 

November 17, 2006

During  XXXI Annual session of Science Council on Analytical Chemistry RAS two lectures were given 
        A. Pomerantsev -- Qualitative analysis: exploration, classification and discrimination (multivariate approach)
         O. Rodionova   -- Quantitative analysis: calibration (multivariate approach)

August 24, 2006

The training course of Eugeny Mikhailov is over and he returned back to Samara State Technological University. Jenya worked in the group for one year, starting in September 2005. During this time he has came to much: he presented a talk at WSC-5, sent a paper to ChemLab, and wrote two more papers, which are to be presented in the journals.

He has exerted himself a good fellow, a conscientious and diligent student.  We wish good luck to Jenya.
 

August 10, 2006

A paper has been published 

A.L. Pomerantsev, O.Ye. Rodionova, "Construction of a Multivariate Calibration by the Simple Interval Calculation Method", Zh. Anal. Khim, 61, 952-966 (2006)

The translation is awful. 

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July 22, 2006

Oxana Rodionova and Alexey Pomerantsev visited the United Kingdom. There was a workshop on the Counterfeit Drugs Detection program. It was conducted by the Laboratory of NIR Spectroscopy PerkinElmer Life and Analytical Sciences (Seer Green, UK) during July 17-21. 

In the picture are the PE people (left to right) Fausto Aldrighetti, Gavin Aston, and  Jerry Sellors. 

July 20, 2006

A paper has been published

A.L. Pomerantsev, O.Ye. Rodionova, "Two Approaches to Kinetic Analysis Applied to the Prediction of Antioxidant Activity" Kinetics and Catalysis, 47, 537-548 (2006)

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July 5, 2006 г.

Oxana Rodionova and Alexey Pomerantsev  took part in the conference "Interval 2006", Petergof, Russia

Oxana presented a talk "Analysis of large chemical data sets under interval non-statistical error", 

In the picture are the participants of the conference

June 27, 2006 г.

Oxana Rodionova and Alexey Pomerantsev  took part in the conference "International Congress on Analytical Sciences" (ICAS-2006, Moscow). The following talks have been presented

A.P. Arzamastsev, V.L. Dorofeyev, D.V. Dolbnev, L.Houmoller, O.Ye. Rodionova "Analytical methods for rapid counterfeit drug detection"

A.L. Pomerantsev, O.Ye. Rodionova "Simple Interval Calculation and object status classification"

A.L. Pomerantsev, O.Ye. Rodionova "Application of simple interval calculation method for representative subset selection"

June 14, 2006

A paper has been published

O.Ye. Rodionova, A.L. Pomerantsev "Chemometrics: achievements and prospects", Russ. Chem. Rev, 75 (4), 302-321 (2006)

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March 31, 2006

A paper has been published

A.L. Pomerantsev, O.Ye. Rodionova, A. Höskuldsson, "Process control and optimization with simple interval calculation method", Chemom. Intell. Lab.Syst., 81 (2), 165-179 (2006)

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January 10, 2006

Alexey Pomerantsev became a member of the Editorial Board of Chemometrics and Intelligent Laboratory Systems journal.

November 7, 2005

Alexey Pomerantsev had a short visit to European Molecular Laboratory (EMBL) in Hamburg, Germany and gave a lecture on the topic "Introduction to Chemometrics. Basics and Applications"

In the picture are Alexey and Sasha Popov from EMBL 

August 30, 2005

Two papers have been published

O.Ye. Rodionova, L.P. Houmøller, A.L. Pomerantsev, P. Geladi, J. Burger, V.L. Dorofeyev, A.P. Arzamastsev "NIR spectrometry for counterfeit drug detection", Anal. Chim. Acta, 549, 151-158 (2005)

and

A.L. Pomerantsev, O.Ye. Rodionova, "Hard and soft methods for prediction of antioxidants' activity based on the DSC measurements", Chemom. Intell. Lab.Syst., 79 (1-2), 73-83 (2005)

 

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June 30, 2005

Oxana Rodionova and Alexey Pomerantsev visited Samara State Technological University. Two lectures have been given -- "Multivariate Statistical Process Control (MSPC)"  and "Introduction to Chemometrics". 

The next Winter Symposium on Chemometrics (WSC-5) will be held in Samara. Plans and preparations were discussed with the chair (prof. Dmitry Bykov) and the secretary (Natasha Rumina) of organizing committee. See them (with Oxana) in picture.

May 30, 2005

A paper has been published in the Kinetics and Catalysis journal

O. E. Rodionova, A. L. Pomerantsev "Estimating the Parameters of the Arrhenius Equation",  Kinetics and Catalysis, 46, (3), 2005, 305–308.

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April 20, 2005

On April 19,  2005, in the framework of the exhibition AnalyticaExpo, a one-day conference "Chemometrics and Process Analytical Technology" was  held . Presentation of professor  R. Brereton (University of Bristol, UK) "PAT - Methods and examples of real-world applications" as well as presentations of other speakers are available at web-site  Chemometrics in Russia. 

Conference program 

March 18, 2005

Two papers have been published in the  Journal Applied Polymer Science 

O. Y. Rodionova, A. L. Pomerantsev "Prediction of Rubber Stability by Accelerated Aging Test Modeling", J Appl Polym Sci, 95(5) 1275-1284, (2005)

A. L. Pomerantsev "Phenomenological modeling of anomalous diffusion in polymers", J Appl Polym Sci, 96(4) 1102 - 1114, (2005)

as well as a long-awaited paper about the SIC-method in the  Journal of Chemometrics

O. Ye. Rodionova, K. H. Esbensen, and A.L. Pomerantsev, "Application of SIC (Simple Interval Calculation) for object status classification and outlier detection - comparison with PLS/PCR", J. Chemometrics, 18 , 402-413 ( 2004)

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March 15, 2005

Oxana Rodionova and Alexey Pomerantsev were visiting  Vietnam for 2 weeks. Lectures and workshops on the topic "Hard and Soft Methods of Data Modeling" have been given in the Russian-Vietnamese Tropical Center" 

There were agreed the interesting plan on co-operation between Russian Chemometrics Society and Vietnam scientists. 

March 10, 2005

Nova Science Publishers announced ordering of the book of the  WSC-3 Proceedings

                                                 Progress in Chemometrics Research

 

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 Last update 03.11.17