NEXT EVENTS
Chemometrics Summer Course
Prof. Hector Goicoechea (Universidad Nacional del Litoral - Argentina).
19 to 26 January 2018, auditorium of LAB-III (Institute of Chemistry/UFRN), 8:00 AM - 5:00 PM.
19 to 26 January 2018, auditorium of LAB-III (Institute of Chemistry/UFRN), 8:00 AM - 5:00 PM.
PAST EVENTS
Lecture - Centre of Marine Sciences & Erasmus Mundus Master in Quality in Analytical Laboratories
Prof. Maria Clara Costa (Algarve University - Portugal).
08 August 2016, auditorium of LAB-III (Institute of Chemistry/UFRN), 2:00 PM.
08 August 2016, auditorium of LAB-III (Institute of Chemistry/UFRN), 2:00 PM.
Lecture - Method Validation
Prof. Piotr Konieczka (Gdansk University of Technology - Poland).
14 July 2016, auditorium of LAB-III (Institute of Chemistry/UFRN), 10:00 AM.
14 July 2016, auditorium of LAB-III (Institute of Chemistry/UFRN), 10:00 AM.
Group Meeting 2016.1
Group meeting for 2016.1: Auditorium of LAB-III (Institute of Chemistry/UFRN), 2:00 PM.
Calendar:
Calendar:
- Feb 22, 2016. Visiting Professor (Prof. Bjørn Grung - University of Bergen/Norway): Chemometrics at University of Bergen.
- March 07, 2016. Lilian Silva (PPGQ/UFRN): Chemosensors / Quimiossenssores.
- March 21, 2016. Norberto Monteiro (PPGQ/UFRN): Theoretical reaction mechanisms / Mecanismos de reação teóricos.
- April 04, 2016. Isadora Costa (IQ/UFRN): Synthesis and characterization of silver nanoparticles / Síntese e caracterização de nanopartículas de prata.
- April 18, 2016. Ana Neves (PPGQ/UFRN): Cancer cells / Células cancerígenas.
- May 02, 2016. Zózimo Silva (PPGQ/UFRN): Electrooxidation of alcohols / Eletroxidação de álcoois.
- May 16, 2016. Fernanda Costa (PPGQ/UFRN): Neglected tropical diseases / Doenças tropicais negligenciadas.
- May 30, 2016. Anderson Viana (PPGQ/UFRN): Modified surfactant and nanoparticles / Surfactante modificado e nanopartículas.
- June 13, 2016. Camilo Morais (PPGQ/UFRN): Development of new multivariate algorithms / Desenvolvimento de novos algoritmos multivariados.
MCR-ALS Course
MCR-ALS course - Prof. Roma Tauler (CSIC/IDAE/SPAIN) - 20 to 24th October 2014 - Natal/RN (Institute of Chemistry, Laboratory of Chemistry III, First floor.
The deadline for registration (free) is October 15, 2014.
Registration: kassiolima@gmail.com (Full name and filiation)
Course Capacity: 70
9h – 12 h
Course Multivariate Curve Resolution (MCR)
Professor Romà Tauler
IDAEA-CSIC, Jordi Girona 18-26, 08034 Barcelona, Spain
Roma.Tauler@idaea.csic.es
Prerequisites:
1) Basic knowledge of chemometrics (multivariate analysis of chemicial data) 2) Participants must have access to computers with MATLAB installed.
Objectives
This course is dedicated to presenting the theoretical aspects of the MCR method and to its practical applications. Procedures are described for exploring the structure of the data, generation of initial estimates, choosing appropriate constraints, and to the application of MCR to data sets arranged in a table or matrix or to data multisets arranged in multiple data tables, data matrices, data cubes or data hypercubes with multiple directions or ways (three-way, multi-way data). Theoretical sessions will be accompanied by practical problem solving exercises from various selected examples. The software to be used will be the MCR-ALS program and its graphical user interface (web page http://mcrals.wordpress.com/download/mcr-als-toolbox/) in its last version. The MCR-ALS program (for one data matrix) and more advanced aspects (for multiple datasets (multiset), and for multiway data) will be presented. Ways to handle and ascertain the presence of uncertainties in MCR results due to rotation ambiguities or to noise propagation, as well as recent extensions of the MCR-ALS method will be also presented.
Program.
• The MCR bilinear model. The MCR-ALS method. Number of components, initial estimates and constraints (non-negativity, unimodality, mass balance,
Selectivity / local rank, etc).
• MCR application to the study of chemical reactions and processes, to hyphenated chromatography, to hyperspectral imaging and to environmental data monitoring
• Simultaneous analysis of multiple data sets (multiset and multiway data). Multilinear models and implementation of constraints (trilinear, quadrilineal, interaction ...).
• MCR for multidimensional spectroscopy and chromatography. MCR for multiset data analysis
• Quantitative information from MCR analysis of second and higher order data.
• Quantitative information from MCR analysis of first order data. Correlation constraint. Multivariate calibration.
• Evaluation of MCR ambiguity. Rotation ambiguity. Indication of the extent of rotation ambiguity: MCR-BANDS program.
• Uncertainties, noise propagation and maximum likelihood approaches.
• Other variants of MCR for simultaneous hard and soft modelling data analysis. Kinetic data analysis
The deadline for registration (free) is October 15, 2014.
Registration: kassiolima@gmail.com (Full name and filiation)
Course Capacity: 70
9h – 12 h
Course Multivariate Curve Resolution (MCR)
Professor Romà Tauler
IDAEA-CSIC, Jordi Girona 18-26, 08034 Barcelona, Spain
Roma.Tauler@idaea.csic.es
Prerequisites:
1) Basic knowledge of chemometrics (multivariate analysis of chemicial data) 2) Participants must have access to computers with MATLAB installed.
Objectives
This course is dedicated to presenting the theoretical aspects of the MCR method and to its practical applications. Procedures are described for exploring the structure of the data, generation of initial estimates, choosing appropriate constraints, and to the application of MCR to data sets arranged in a table or matrix or to data multisets arranged in multiple data tables, data matrices, data cubes or data hypercubes with multiple directions or ways (three-way, multi-way data). Theoretical sessions will be accompanied by practical problem solving exercises from various selected examples. The software to be used will be the MCR-ALS program and its graphical user interface (web page http://mcrals.wordpress.com/download/mcr-als-toolbox/) in its last version. The MCR-ALS program (for one data matrix) and more advanced aspects (for multiple datasets (multiset), and for multiway data) will be presented. Ways to handle and ascertain the presence of uncertainties in MCR results due to rotation ambiguities or to noise propagation, as well as recent extensions of the MCR-ALS method will be also presented.
Program.
• The MCR bilinear model. The MCR-ALS method. Number of components, initial estimates and constraints (non-negativity, unimodality, mass balance,
Selectivity / local rank, etc).
• MCR application to the study of chemical reactions and processes, to hyphenated chromatography, to hyperspectral imaging and to environmental data monitoring
• Simultaneous analysis of multiple data sets (multiset and multiway data). Multilinear models and implementation of constraints (trilinear, quadrilineal, interaction ...).
• MCR for multidimensional spectroscopy and chromatography. MCR for multiset data analysis
• Quantitative information from MCR analysis of second and higher order data.
• Quantitative information from MCR analysis of first order data. Correlation constraint. Multivariate calibration.
• Evaluation of MCR ambiguity. Rotation ambiguity. Indication of the extent of rotation ambiguity: MCR-BANDS program.
• Uncertainties, noise propagation and maximum likelihood approaches.
• Other variants of MCR for simultaneous hard and soft modelling data analysis. Kinetic data analysis
MCR-ALS Basic Course
Curso básico de MCR-ALS (Multivariate Curve Resolution - Alternating Least Squares), dias 06 e 07/03, das 13:30 hs - 17:30 hs, Anfiteatro A do CCET, público alvo: alunos de graduação e pós-graduação. Número de vagas: 120
Palestrante: Romá Tauler (CSIC-Espanha)
1st Summer School of Chemometrics - UFRN
Last January (2012) we had the 1st Summer Schol of Chemometrics at UFRN - Natal - Brazil.
This event was organized by the Prof. Dr. Kássio Lima and had two mini courses on two fields of chemometrics Multivariate Calibration and Design of Experiments, presented by Prof. Roney Poppi and Prof. Roy E. Bruns, respectively, both from the Institute of Chemistry in UNICAMP.
Promulgation poster link.
This event was organized by the Prof. Dr. Kássio Lima and had two mini courses on two fields of chemometrics Multivariate Calibration and Design of Experiments, presented by Prof. Roney Poppi and Prof. Roy E. Bruns, respectively, both from the Institute of Chemistry in UNICAMP.
Promulgation poster link.
