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Oct 20, 2024
A papers was published
A. L. Pomerantsev, O. Y. Rodionova, Selectivity in Nontargeted Qualitative Analysis,
Anal. Chim. Acta, 1332 (2024), 343352
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Aug 10, 2024
A papers was published
O. Y. Rodionova, N. I. Kurysheva; G. A. Sharova; A. L. Pomerantsev, Novelty and Similarity: Detection Using Data‐Driven Soft Independent Modeling of Class Analogy,
J.Chemom., 2024,.38, 3587
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Aug 1, 2024
A papers was published
V.A. Lozano, A.M. Jimenez Carvelo, A.C. Olivieri, S.V. Kucheryavskiy, O.Ye. Rodionova, A.L. Pomerantsev, Authentication of Argentinean extra-virgin olive oils using three-way fluorescence and two-way near-infrared data fused with multi-block DD-SIMCA,
Food Chemistry, 463 (2025) 141127
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July 14, 2024
A papers was published
S. Kucheryavskiy, O. Rodionova;
A.Pomerantsev, "A comprehensive tutorial on Data‐Driven
SIMCA: Theory and implementation in web", J.Chemom.,38,
3556; 2024.
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Mar 28, 2024
Two papers were published
A.P. Pagani, G. Camargo, G.A. Ibañez, A.C. Olivieri, A.L. Pomerantsev, O.Ye. Rodionova,
"Data-Driven Version of Multiway Soft Independent Modeling of Class Analogy (N-Way DD-SIMCA): Theory and Application",
Anal. Chem.. 96, 4845-4853 (2024)
O.Ye. Rodionova, P. Oliveri, C. Malegori, A.L. Pomerantsev,
"Chemometrics as an efficient tool for food authentication: Golden pillars for building reliable models",
Trends in Food Science & Technology, 147, 104429
(2024)
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Mar 1, 2024
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Oxana and Alexey took part in
WSC-14, Tsaghkadzor, Armenia. The following presentations were given :
A. Pomerantsev, O. Rodionova, "New concepts and methods originated from SIMCA",
O. Rodionova, A. Pomerantsev, "Chemometric support for precision and personalized medicine"
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Oct 5, 2023
Two papers were published :
A.L. Pomerantsev, D.N. Vtyurina, O.Ye. Rodionova, "Limit of detection in qualitative analysis: Classification Analytical Signal approach",
Microchem. J., 195, 109490 (2023)
V.B. Ivanov, E.V. Kalugina, A.L. Pomerantsev, A.V. Samoryadov, M.S. Shebanov, "Kinetic features of nonisothermal degradation of polyarylene ketones",
Thermochimica Acta, 730, 179608 (2023)
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 Sep
15, 2023
A.L. Pomerantsev, O.Ye. Rodionova, "Mutter SIMCA und ihre Kinder" ,
O.Ye. Rodionova, N.I. Kurysheva, G.A. Sharova, A.L. Pomerantsev, "Chemometrics for personalized medicine"
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Aug 10, 2023
A paper was published :
N.I. Kurysheva, O.Y. Rodionova, A.L. Pomerantsev, G.A. Sharova, O. Golubnitschaja, "Machine learning–couched treatment algorithms tailored to individualized profile of patients with primary anterior chamber angle closure predisposed to the glaucomatous optic neuropathy",
EPMA Journal, 14, 527 (2023)
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June 5, 2023
Two papers were published :
O. Rodionova, A. Pomerantsev, "Multi-block DD-SIMCA as a high-level data fusion tool",
Anal. Chim. Acta, 1265, 341328 (2023)
N.I. Kurysheva, A.L. Pomerantsev, O.Y. Rodionova, G.A. Sharova,
"Comparison of Lens Extraction versus Laser Iridotomy on Anterior Segment, Choroid and Intraocular
Pressure in Primary Angle Closure Using Machine Learning", J. Glaucoma,
32, :e43–e55 (2023)
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Apr 14, 2023
A paper has been published:
N.I. Kurysheva, O.Ye. Rodionova, A.L. Pomerantsev, G.A. Sharova,
"Comparative study of predictors of hypotensive efficacy of laser peripheral iridotomy and lensectomy in patients
with primary anterior chamber angle closure based on machine learning methods",
Biomed. Signal Process.Control, 85, 104884 (2023)
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Mar 27, 2023
Two papers were published :
S. Kucheryavskiy, O.Rodionova, A. Pomerantsev, "Procrustes cross-validation of multivariate regression models",
Anal. Chim. Acta, 1255, 341096 (2023)
A.L. Pomerantsev, O.Ye. Rodionova, "Subset selection using Combined Analytical Signal",
Microchem.J.,
190, 108654 (2023)
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Mar 1, 2023
A paper has been published:
O. Rodionova, N. Kurysheva, G. Sharova, A. Pomerantsev "Expanding the DD-SIMCA concept: A case study of precision medicine"
Anal. Chim. Acta, 1250, 340958 (2023)
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Nov 15, 2022
Two papers were published :
N.I. Kurysheva , A.L. Pomerantsev, O.Ye. Rodionova, G.А.Sharova, "Machine Learning Methods in the Comparative Evaluation of Various Approaches to the Surgical Treatment of Primary Angle Closure",
Ophthalmology in Russia. 19(3):549–556 (2022) (in Russian)
O.Ye. Rodionova, A.L. Pomerantsev, D.N. Rutledge, "Kinetic Model of Diclofenac Degradation Developed Using Multivariate Curve Resolution Method",
Molecules, 27, 07904 (2022).
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 Oct 15, 2022
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Oxana and Alexey conducted a course in
Saratov on
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«Chemometrics in Excel»
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 Sep 28, 2022
"Chemometrics in qualitative analysis"
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 Sep 3, 2022
S. Kucheryavskiy,
O. Rodionova, A. Pomerantsev, "Procrustes cross-validation of multivariate regression models",
O. Rodionova, N. Kurysheva, G. Sharova, A. Pomerantsev, "Expansion of the DD-SIMCA concept"
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Jul 12, 2022
A paper has been published:
O.Ye. Rodionova, A.V. Titova, F.Y. Godin, K.S. Balyklova, A.L. Pomerantsev, D.N. Rutledge,
"Monitoring of the natural aging of Diclofenac tablets, NIR and MIR-ATR spectroscopy coupled with chemometrics data analysis",
J. Pharm. Biomed. Anal. 219, 114917 (2022)
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 Feb
9, 2022
Soft independent modeling of class
analogy (SIMCA)
Partial least squares-discriminant analysis (PLS-DA)
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Feb 1, 2022
A paper has been published:
V. Ivanov, A. Lizunova, O. Rodionova, A. Kostrov, D. Kornyushin, A. Aybush, A. Golodyayeva, A. Efimov, V. Nadtochenko, "Aerosol Dry Printing for SERS and Photoluminescence-Active Gold Nanostructures Preparation for Detection of Traces in Dye Mixtures",
Nanomaterials 12, 448 (2022)
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Jul 15, 2021
A paper has been published:
O.Ye. Rodionova; A.V. Titova; N.A. Demkin; K.S. Balyklova; A.L. Pomerantsev,
"Influence of the quality of capsule shell on the non-invasive monitoring of medicines using Terizidone as an example",
J. Pharm. Biomed. Anal. 204, 114245 (2021)
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Jun 1, 2021
A paper has been published:
A.L. Pomerantsev, O.Ye Rodionova, "New trends in qualitative analysis: Performance, optimization, and validation of multi-class and soft models",
Trends. Anal. Chem, 143, 116372.(2021)
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Apr 21, 2021
A paper has been published:
O. Rodionova, S. Kucheryavskiy, A. Pomerantsev,
"Efficient tools for principal component analysis of complex data- a tutorial",
Chemom.Intell.Lab.Syst, 213, 104304 (2021)
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 Feb
2, 2021
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Oxana Rodionova participated in the
conference
e-CHIMIOMETRIE 2021, France, with an invited
lecture:
"Beneficial Features of Procrustes Cross Validation"
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Jan 18, 2021
Two papers have been published:
A.L. Pomerantsev, O.Ye Rodionova, "Procrustes Cross-Validation of short datasets in PCA context",
Talanta, 226, 122104 (2021)
M. Arif, G. Chilvers, S. Day, S.A. Naveed, M. Woolfe, O.Ye. Rodionova, A.L. Pomerantsev, O. Kracht, C. Brodie, A. Mihailova, A. Abrahim, A. Cannavan, S.D. Kelly, "Differentiating Pakistani long-grain rice grown inside and outside the accepted Basmati Himalayan geographical region using a 'one-class' multi-element chemometric model",
Food Control, 123, 107827 (2021)
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Sep 01, 2020
A paper has been published:
O.Ye Rodionova, J.A. Fernandez Pierna, V. Baeten, A.L. Pomerantsev,
"Chemometric non-targeted analysis for detection of soybean meal adulteration by near infrared spectroscopy",
Food Control, 119, 107459 (2021)
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Aug 25, 2020
A paper has been published:
S. Kucheryavskiy, S. Zhilin, O. Rodionova, A. Pomerantsev,
"Procrustes Cross-Validation -- A Bridge between Cross-Validation and Independent Validation Sets",
Anal. Chem. 92:11842-11850 (2020)
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Aug 5, 2020
A paper has been published:
A.L. Pomerantsev, O.Ye. Rodionova, "Popular decision rules in SIMCA: Critical review",
J. Chemometrics, 34, e3250 (2020)
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June 15, 2020
A paper has been published:
Y.V. Zontov, O.Ye. Rodionova, S.V. Kucheryavskiy, A.L. Pomerantsev, "PLS-DA – A MATLAB GUI tool for hard and soft approaches to partial least squares discriminant analysis", Chemom. Intell. Lab. Syst.
203, 104064 (2020)
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March 1, 2020
A paper has been published:
O.Ye. Rodionova, A.L. Pomerantsev "Chemometric tools for food fraud detection: The role of target class in nontargeted analysis,
Food Chemistry, 317, 126448 (2020)
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February 1, 2020
A paper has been published:
O.Ye. Rodionova, A.L. Pomerantsev "Detection of Outliers in Projection-Based Modeling",
Anal. Chem., 92, 2656−2664 (2020)
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December 7, 2019
A chapter has been published:
A.L. Pomerantsev, O.Ye. Rodionova, "3-30. Soft Independent Modeling by Class Analogy"
It is a part of the book
Comprehensive Chemometrics (Second Edition) Chemical and
Biochemical Data Analysis 2020, pages 605-623
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November 10, 2019
A paper has been published:
M.N.H. Adenan, S. Moosa, S.A. Muhammad, A. Abrahim, Z. Jandric, M. Islam, O. Rodionova, A. Pomerantsev,
B. Perston, A. Cannavan, S.D. Kelly, Z. Othman, N.A. Abdullah Salim, Z. Sharif, F. Ismail
"Screening Malaysian edible bird’s nests for structural adulterants and geographical origin using
Mid-Infrared – Attenuated Total Reflectance (MIRATR) spectroscopy combined with chemometric analysis
by Data-Driven – Soft Independent Modelling of Class Analogy (DD-SIMCA)",
Forensic Chem., 17, 100197 (2020)
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October 29, 2019
A paper has been published:
P.I. Monteiro, J. Sousa Santos, O.Ye Rodionova, A. Pomerantsev, E. Sidinei Chaves, N. Deliberali Rosso, D. Granato,
"Chemometric authentication of Brazilian coffees based on chemical profiling", J.Food Sc,
84, 3099-3108 (2019)
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October 10, 2019 г.
New papers have been published
P. Putnik, D. Granato, A. Gomes Da Cruz, O. Ye. Rodionova, A. Pomerantsev, G. Rocchetti, L. Lucini, D. Bursac Kovacevic, "Trends in chemometrics and meat products",
IOP Conference Series Earth and Environmental Science 333:012016, (2019)
I. Strashnov, I. Izosimov, J.D. Gilmour, M. A. Denecke, J. Almiral, A. Cannavan, G. Chen, C. Dissanayake, I. Doroshenko, T. Elghali, E. Enston, B.R. Fernando, G. Kasozi, S. Kelly, M. Maqsood, S.A. Muhammad, C. Muryn, A.L. Pomerantsev, D.K. Singh, G. Smith, F. Taous, C. Webb, D. Williamson, Z. Xu, S. Yang, A, Zitek "A Laser Ablation Resonance Ionisation Mass Spectrometer (LA-RIMS) for detection
of isotope ratios of uranium at ultra-trace concentrations from solid particles
and solutions", J. Analytical Atomic Spectrometry,
34(8):1630 (2019)
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September, 20 2019
New papers have been published:
O.Ye. Rodionova, A.V. Titova, N.A. Demkin, K.S. Balyklova, A.L. Pomerantsev
"Qualitative and quantitative analysis of counterfeit fluconazole capsules- A
non-invasive approach using NIR spectroscopy and chemometrics", Talanta,
195, 662-667 (2019)
O.Ye. Rodionova, A.V. Titova, K.S. Balyklova, A.L. Pomerantsev, "Detection of counterfeit and substandard tablets using non-invasive NIR and chemometrics - A conceptual framework for a big screening system",
Talanta, 205, 120150 (2019)
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 September 19, 2019
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Oxana Rodionova participated in the
2nd Food Chemistry Conference: Shaping the Future of
Food Quality, Safety, Nutrition and Health, Spain with plenary lecture
"Class modeling versus discrimination. In search for a tool for food authentication"
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 May 1-4, 2019
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Oxana Rodionova and Alexey Pomerantsev participated in
the Fourth International Conference on New Trends in
Chemometrics and Applications (NTCA-2019),
Didim-Aydin, Turkey, with invited lectures
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O.Ye. Rodionova
"Application of NIR spectroscopy, chemometrics and VisCam instrument for detection of the ‘high quality’ counterfeit drugs"
A.L. Pomerantsev.
"Multi-class PLS-DA: soft and hard approaches"
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Additionally, Oxana read a course
- O.Ye. Rodionova.
"Chemometric applications in vibration spectroscopy"
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April 29, 2019
A paper has been published:
C. Malegori, P. Oliveri, A. Pomerantsev, O. Rodionova
"Conference report: The first “food and drug testing workshop” (FDT-2018), 12–14 December, Genoa, Italy",
Food Chemistry 292 , 106–107 (2019)
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 April
15-19, 2019
Course "Chemometrics in Excel" was given in Zhejiang Academy of Agricultural Sciences (ZAAS), Hangzhou, China.
There were about 30 people from 15 Asian
countries.
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 December 12-14, 2018
Oxana Rodionova and Alexey Pomerantsev took part in "Food and Drug Testing 2018"
workshop in Genoa, Italy
Two presentation were given:
"Discriminant analysis versus class modeling in authentication"
"Detection of the ‘high quality’ falsified medicines using Viscam and NIR-based analysis"
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November 29, 2018
A paper is published:
O.Ye. Rodionova, A.V. Titova, N.A. Demkin, K.S. Balyklova, A.L. Pomerantsev "Qualitative and quantitative analysis of counterfeit fluconazole capsules- A non-invasive approach using NIR spectroscopy and chemometrics", Talanta,
195, 662-667 (2019)
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October 11, 2018
A paper is published:
R.V. Nazarenko, A.V. Irzhak, A.L. Pomerantsev, O.Ye. Rodionova, "Confocal Raman spectroscopy and multivariate data analysis for evaluation of spermatozoa with normal and abnormal morphology. A feasibility study" Chemom. Intell. Lab. Syst.
182, 172-179 (2018)
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September 13, 2018
A paper is published:
G. Brereton, J. Jansen, J. Lopes, F. Marini, A.
Pomerantsev, O. Rodionova, J.M. Roger, B. Walczak, R.Tauler,
"Chemometrics in analytical chemistry—part II: modeling, validation, and
applications", Anal Bioanal Chem , 410
(26): 6691–6704 (2018)
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 August
30, 2018
A paper is published:
A.L. Pomerantsev, O.Ye. Rodionova,
"Multiclass partial least squares discriminant analysis:
Taking the right way — A critical tutorial", J.
Chemometrics, 32(8): e3030 (2018)
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May 5, 2018
A paper is published:
D. Granato , P. Putnik , D.B. Kovacevic, J.S.V. Calado, R.S. Rocha, A.G. Da Cruz , B. Jarvis, O.Ye Rodionova, A. Pomerantsev, "Trends in Chemometrics: Food Authentication, Microbiology, and Effects of Processing",
Comp Rev Food Sc Food Saf, 17: 663-677 (2018)
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 May 1, 2018
Alexey's book
Chemometrics in Excel
is published in Chinese
Excel中的化学计量学 (简体中文) 平装 [俄] 阿列克谢 L. 波莫兰采夫 (作者) ISBN: 9787122310996, 712231099X
Chemometrics in Excel (Simplified Chinese), Chemical
Industry Press, Beijing Shi, 2018, 286 pages
Order
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March 25, 2018
A paper is published:
O.Ye. Rodionova, K.S. Balyklova, A.V. Titova, A.L. Pomerantsev, "Application of NIR spectroscopy and chemometrics for revealing of the ‘high quality fakes’ among the medicines",
Forensic Chemistry, 8, 82-89 (2018)
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 March 2, 2018
Alexey Pomerantsev and Oxana Rodionova finished their service
for Russian Chemometrics Society
The new chair was elected - prof.
Dmitry
Kirsanov from Saint Petersburg University. New secretary
will be announced latter.
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 February
20, 2018
Addition items of the book
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A.L. Pomerantsev, Chemometrics in Excel: tutorial, Tomsk, TPU, 2014, 435 pages, (ISBN 978-5-4387-0374-7), In Russian
are available.
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 December
11-15, 2017
Course "Chemometrics
in Excel" was given for given for the specialists of the
Chinese Academy of Agricultural Sciences (CAAS).
About 20
persons from different institutes and universities participated.
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 November 19-23, 2017
Oxana Rodionova and Alexey Pomerantsev took part in "I International Caparica Conference in Translational Forensics"
in Lisbon, Portugal
Two presentation were given:
"Recognition of patterns in pattern recognition"
"Recognition of the ‘high quality forgeries’ among
the medicines: application of NIR spectroscopy and chemometrics"
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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)"
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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"/
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 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.
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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
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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"
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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
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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
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Anna Titova , Oxana Rodionova "Mobile laboratory.
Russian experience"
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 June
20, 2015
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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"
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March 25, 2015
A paper has been published
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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
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Oxana Rodionova participated in the 2nd
International Conference on Perspectives in Chemometrics
(ICOPIC
2015) held in
Chennai, India with an invited lecture :
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"How do Near Infrared Spectroscopy (NIR) and Chemometrics Help in Pharmaceutical
Applications? "
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October 25, 2014
A paper has been published
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AA.L. Pomerantsev, Yuri V. Zontov, O.Ye. Rodionova "Nonlinear multivariate curve resolution alternating least squares (NL-MCR-ALS)", J. Chemometrics,
28/strong>: 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
Order
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 June
17, 2014
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OOxana 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 "
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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 11, 2014
A paper has been published
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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
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A book has been published
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A.L. Pomerantsev, Chemometrics in Excel: tutorial, Tomsk, TPU, 2014, 435 pages, (ISBN 978-5-4387-0374-7), In Russian
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December 11, 2013
A paper has been published
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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
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 June
10, 2013
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Oxana Rodionova participated in 16th International Conference on Near Infrared Spectroscopy
(ICNIRS) took part in La Grande-Motte, France.
Two posters have been presented:
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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"
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 October
26, 2012
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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".
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The lecture "Modern methods of process control" has been
presented.
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 October 20, 2012
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The lecture
"PAT solutions for pharmaceutical industry" was presented for the faculty
staff.
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 October 1, 2012
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Oxana Rodionova visited China as a member of
official delegation from Federal Service on
Surveillance in Healthcare (Roszdravnadzor.)
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 July
1, 2012
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Alexey Pomerantsev participated in the 13-th
International Conference on Chemometrics in Analytical
Chemistry (CAC-2012),
held in Budapest, Hungary with an invited lecture
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A.L.Pomerantsev, O.Ye. Rodionova "Use and abuse of robust PCA"
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June 23, 2011
A review has been published
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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
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Oxana Rodionova participated in workshop"Drug
quality control using the methods of express-diagnostics"
with a lecture:
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O.Ye. Rodionova,
A.L. Pomerantsev "Peculiarities of application NIR spectroscopy
for express-control of quality of medicines"
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October 26, 2011
A paper has been published
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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
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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
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Two invited lectures have been given
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A.L. Pomerantsev "PAT
solutions for pharmaceutical industry
"
O.Ye. Rodionova "NIR based approach for counterfeit
drugs’ detection
"
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 October 3, 2011
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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".
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Lecture topic "Multivariate Curve Resolution"
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 September 18, 2011
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Oxana Rodionova participated in the
16th European Conference on
Analytical Chemistry (EuroAnalysis
16)
held in Belgrade, Serbia with lecture
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O.Ye. Rodionova,
A.L. Pomerantsev "Near Infrared Spectroscopy as a Challenging Analytical Tool
"
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April 13, 2011
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Alexey Pomerantsev participated in International Conference on
Perspectives in Chemometrics (ICOPIC 2011)
held in Chennai, India as an invited speaker with lecture
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A.L. Pomerantsev "PAT solutions for pharmaceutical industry"
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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.
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Three presentation have
been made
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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
"
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Kurt Warmuza, Oxana & Alexey
photo
B. Walszak
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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
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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.
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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.
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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, who is the project
co-ordinator.
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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.
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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
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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.
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December 8, 2008
Alexey Pomerantsev and Oxana Rodionova took part in the
First Symposium of South African Chemometrics Society (Stellenbosch
University). Thefollowing 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.
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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.
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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.
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October 3, 2008
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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
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 September
1, 2008
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 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.
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July 7, 2008
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Oxana Rodionova and Alexey Pomerantsev participated in the 11-th
International Conference on Chemometrics in Analytical
Chemistry (CAC-2008),
held in Montpellier, France
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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"
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October 17, 2007
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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.
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Special Council of Institute of Chemical Physics RAS
- Opponents:
prof. Stanislav Razumovskiy
prof. Vasily Dement'ev
prof. Semen Spivak
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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
The
workshop was concluded by the hands-on classes with a training
in SIMCA-P
software
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 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.
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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
In the
picture are Oxana, Alexey and the people from Omsk SU
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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
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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.
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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)
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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.
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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.
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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
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
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June 27, 2006
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"
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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.
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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
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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.
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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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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"
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March10, 2005
Nova Science Publishers announced ordering of the book of
the WSC-3 Proceedings
Progress
in Chemometrics Research
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rcs@chph.ras.ru
English
