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1. INTRODUCCIÓN A LA ESPECTROSCOPÍA DE
INFRARROJO CERCANO (NIRS): FUNDAMENTOS,
TRATAMIENTO DE DATOS Y APLICACIONES
El conocimiento existente sobre fundamentos básicos, instrumentación y
algoritmos de tratamiento matemático de datos NIRS, mayoriamente se
han generado en lengua inglesa. Ello representa una dificultad añadida
para estudiantes, investigadores y profesionales, que no poseen el Inglés
como lengua materna. La oportunidad de celebración en Brasil del
congreso bianual del ICNIRS, en Octubre del 2015, anima a realizar la
presenta oferta de formación en Español, para facilitar la participación de
hispanoparlantes de paises latinomaricanos cercanos al lugar de
celebración del Congreso NIR2015.
El curso está estructurado en los siguientes bloques temáticos:
 Módulo I. Introducción a la tecnología NIRS.
 Módulo II: Etapas críticas en el proceso de desarrollo de aplicaciones NIRS.
 Módulo III. Métodos de regresión multivariante más usuales ( RLM, PCR, PLS) en el
desarrollo de calibraciones NIRS.
 Módulo IV. Ejemplos de aplicaciones NIRS en diferentes campos. Servicios analíticos y
redes NIRS. Futuro de la tecnología NIRS.
Mínimo pre-requisito: conocimiento y práctica de
análisis de datos fisico-químicos por métodos
químicos tradicionales. Es deseable que los
futuros participantes, al menos hayan visitado
algún laboratorio NIRS y conozcan como se
presentan muestras al instrumento y que típo de
información proporciona el mismo.
TRAINER PROFILE
Prof. Dr. Ana Garrido-varo is PhD in Agriculture Engineering
(University of Córdoba, Spain). Since 1980 she has served as
instructor and teacher in the Faculty of Agriculture and Forestry
Engineering (University of Cordoba). Currently, she holds the
position of Professor in Fundamentals and Technology of
Livestock Production and in Non-destructive Spectral Sensors for
Quality, Safety and Traceability of Agri-Food Products. She has
over twenty five years experience in the field of Near Infrared
Spectroscopy (NIRS).
She leads the Non-Destructive Spectral Sensors Unit (NDSSU) at her Faculty. From
1992 untill today she has trained more than 500 students, researchers and
professionals through NIRS courses taught in Spanish. . She is the academic
coordinator of the International Virtual Platform for Teaching and Learning of Near
Infrared Spectroscopy- IVPTL-NIRS (http://www.uco.es/nirsplatform/). In 2005 she was
honoured by ICNIRS with the Tomas Hirschfeld award and since 2013, she held the
position of ICNIRS Chair. She has published more than 200 journal papers, book
chapters, conferences and refereed workshop papers and she has supervised more
than 50 MSc and PhD theses related to NIRS, NIRS-microscopy and NIRS-imaging.
Prof. Dr. Peréz-Marín, PhD in Agriculture Engineering. Senior
Lecturer in Non-destructive Spectral Sensors and in Livestock
Production in the Faculty of Agriculture and Forestry Engineering
(University of Cordoba, Spain). Her contributions cover the whole
spectrum, from basic research to implementation on an ever
widening range of applications in food and agriculture using NIRS,
alone or combined with other sensors. This research has resulted
in well over 170 publications. She has an intensive dedication to
the training of undergraduate and postgraduate students (Msc and
PhD) and in courses for beginners with an international audience.
She is member of the Council Management Committee (2013-
2017) and of the Educational Group of ICNIRS, being involved in
the educational project IVPTL-NIRS. She has been recognized with
the Tomas Hirschfeld Award 2014.
Tom Fearn is Professor of Applied Statistics at University College London,
UK. He has worked in NIR since 1978, and received the Tomas Hirschfeld
award for contributions to near infrared spectroscopy in 2001. His
publications include joint authorship of the books Practical NIR Spectroscopy,
with Osborne and Hindle, and A User Friendly Guide to Multivariate
Calibration and Classification, with Næs, Isaksson and Davies. He is
chemometrics editor of the Journal of Near Infrared Spectroscopy and writes
the Chemometric Space column in NIR News.
Schedule: 8 am – 12 am
13:30 pm – 17:30 pm
(October 18, 2015)

2. APPLICATIONS OF NEAR INFRARED
SPECTROSCOPY IN AGRICULTURE
The aim of the course is to briefly summarize the reasons of the interest in
the use of near-infrared spectroscopy for addressing emerging food quality
and safety issues.
The course will describe the use of NIR to assess the quality and safety of
agro-food products and to control food processing at the laboratory, field
and industry levels. In particular, it describes the theory and application of
NIR spectroscopy in the food, feed and non-food sectors. The properties of
the electromagnetic radiation characteristic of molecular vibrational
spectroscopy will be briefly explained, highlighting the measurement mode
and spectra acquisition procedure.
situ analysis will be outlined and sample presentation techniques are discussed. One section
of the course will be devoted to data treatment and interpretation; as well as the properly use
of the statistics. Overview of the chemometrics tools for multivariate calibration for both
quantitative and qualitative analysis purposes will be provided.
The following topics will be addressed:
Instrumentation for laboratory and in
 What is NIR? Just the result of the interaction of the light and
the matter?
 What is NIR? Just the result of the interaction of the light and
the matter?
 Right sampling and right sample presentation make the
differences!
 Data-treatment, statistics and validation: make it simple!
 Demonstration: from the spectra to the validated and
exploitable results.
 Routine quantitative analysis: examples and perspectives.
 Routine qualitative analysis: examples and perspectives.
 A challenge: the analysis of manure by NIR.
TRAINER PROFILE
Dr. Pierre Dardenne is Agronomy Engineer from Gembloux
Agricultural University. In 1980, he has been employed by the
Walloon Agricultural Research Centre (CRA-W) to lead researches
in Near Infrared Spectroscopy (NIRS), domain that he did not
leave since. Since 2000, he leads at CRA-W the department,
extended and renamed on 1 st January 2010 “ Valorisation of
agricultural products”. He is leading groups of scientists working on
biomass, feed and food chemical composition, contaminants
(heavy metals, antibiotics), milk microbiology and GMO detection,
authenticity, anti-fraud and food safety are keywords in many
research programs of his department. The department has 85
employees with 30 scientists. He was awarded by the Tomas
Hirschfeld award in 2002 for his contribution to NIRS and he is
immediate Past Chairman of ICNIRS.
Dr Phil Williams was graduate B.Sc. Hons 1st Class 1954; Ph.D.
1956 Univ. of Wales Aberystwyth. Cereal Chemist, Wagga Wagga,
NSW, 1958-1964. Specialities: wheat kernel texture, protein-testing
methods. Post Doctoral Grain Research Laboratory (GRL),
Winnipeg, Canada, 1964-65. Analytical Chemist, GRL 1965-2002,
specialities, protein-testing methods, near-infrared spectroscopy
(NIRS) 1972-present. Pioneered application of NIRS in industry,
February, 1972-75. Retired GRL March 2002. R &D Director PDK
Projects, Nanaimo B.C., Canada, 2002-present, specialities.
application of NIRS to soils and manures.
Schedule: 8 am – 12 am
13:30 pm – 17:30 pm
(October 18, 2015)
The course will also summarize recent applications of NIR to tackle food, feed and non-food
problems. Focus will be made on the main outputs and most promising trends that should
lead to the development of a new methodology. The information provided will relate to the
routine application of NIR for quality control at the laboratory level and for process control of
various food products.
Dr. Vincent Baeten is head of the Food and Feed Quality Unit of
the Valorisation of Agricultural Products Department of CRA-W
(Belgium). The Food and Feed Quality Unit is involved in the
development of methods based on electronic and vibrational
spectroscopy (Fluorescence, NIR, NIR imaging, MIR, Raman),
optical microscopy and chemometrics.
In the last 15 years, he has
participated to several European projects dealing with quality and safety of food
and feed including aspects of quality, safety, traceability and authentication
(STRATFEED, TYPIC, MEDEO, CO-EXTRA, TRACE, SAFEED-PAP,
FEEDforHEALTH, CONFFIDENCE, QSAFFE, FOODINTEGRITY). Dr Vincent
Baeten has been awarded of the 2011-Q-Interline Sampling Awards.
Requirements: No specific pre-requisites are required. However, basic
knowledge in near-infrared and chemometrics is assumed.

3. MULTIVARIATE CURVE RESOLUTION
(MCR). APPLICATION IN PROCESS
ANALYSIS AND IMAGING
The course will be a combination of theoretical concepts and hands-on
work around the topic of Multivariate Curve Resolution, particularly the
description and the use of the MCR-Alternating Least Squares (MCR-ALS)
algorithm. There will be explanations on how to work with single
data sets and multiset structures (formed by several data tables
together). Focus on recent variants of MCR incorporating hard-modeling
information (e.g., kinetic laws,..) and calibration tasks (correlation
constraint) will be also illustrated. Practical examples will be mainly
processes and hyperspectral images, mostly collected with NIR
spectroscopy. Some basics on the estimation of uncertainty (ambiguity)
in the resolution results will also be introduced. Theory and hands-on
work will be combined during the sessions. Documentation, software and
data sets will be provided.
Program
 MCR. Basic concept.
 Single data analysis.
 Multiset analysis.
 MCR variants: correlation constraint, hybrid hard- and soft-modelling.
 Assessment of ambiguity in MCR results.
Requirements: It is recommended that attendants have some basic background in multivariate
data analysis. Since practical work will be done, bringing a laptop is necessary to follow
adequately the course. No need for any preinstalled software is needed, since a compiled GUI
interface (programmed in MATLAB environment) will be provided and used
TRAINER PROFILE
Anna de Juan, associate professor at the
Universitat de Barcelona. She has more than 20
years of experience developing and applying the
MCR technique in very diverse areas. She has
experience in teaching MCR in undergraduate
and graduate programs at different international
institutions and also in conferences and private
companies.
Joaquim Jaumot, senior researcher at the Spanish
Council of Research (CSIC) in Barcelona. He has
worked as a professor at the Universitat de
Barcelona and has a long experience in the MCR
topic, particularly in the analysis of biochemical
processes and –omic studies. He is the designer
and main developer of the GUIs linked to the
MCR algorithm.
Schedule: 8 am – 12 am
13:30 pm – 17:30 pm
(October 18, 2015)

4. NEAR INFRARED HYPERSPECTRAL
IMAGING
This course is organized into 4 sessions (2 hours each):
Hyperspectral image acquisition, pre-processing and data selection -
Standard approaches and configurations for obtaining hyperspectral
imaging data, spatial and spectral pre-processing methodsand methods
of data selection for further development of chemometric models will be
introduced and compared.
Requirements: Basic knowledge of chemometrics: PCA
and PLS.Basic knowledge of Matlab or R
software.Attendees are required to bring laptop with
Matlab or R installed.
TRAINER PROFILE
José Manuel Amigo (born 1978) obtained his
Ph.D. (Cum Laude) in Chemistry from the
Autonomous University of Barcelona, Spain.
Since 2007 he has been employed at the
Department of Food Science, Spectroscopy and
Chemometrics group of the University of
Copenhagen, Denmark as associated professor.
Current research interests include hyperspectral
analysis, process analytical technologies and
Chemometrics.
Schedule: 8 am – 12 am
13:30 pm – 17:30 pm
(October 18, 2015)
He has authored more than 70 publications (57 peer-reviewed papers,
books, book chapters, proceedings, etc.) and given more than 40
conferences in international meetings. José has supervised or is
currently supervising 7 masters, post docs and Ph.D. students and he is
an editorial board member of four scientific journals within
chemometrics, pharmaceutical sciences and analytical chemistry. He
has recently received the “2014 Chemometrics and Intelligent
LDarbAooraifteorGy oSwysetnemissaAwseanrdio”.r lecturer in the UCD
School of Biosystems Engineering. Her research
area is multidisciplinary, involving applications of
sensor technology and chemometrics to biological
systems, including food quality monitoring. Since
2007, she has published over 30 peer-reviewed
papers in the field of hyperspectral imaging.
These include new techniques to apply variable
selection and optimize predictive model
performance in hyperspectral image analysis. She
has been the imaging editor for NIRNews since
2010.
Basic chemometrics applied to Hyperspectral images - The extension of traditional
chemometric tools (e.g. PCA, PLS, MCR) to hyperspectral data will be presented.
Hands on hyperspectral image analysis using R/Matlab - The participants will be given a set
of hyperspectral data to explore using chemometric tools developed in Matlab or R.
Advanced topics – Recently, a number of novel HSI classification methods have been
presented that take the spatial information into account. We will discuss the relative benefits
and potential pitfalls of integrating spatial information into classification models in
classification of NIR chemical images through presentation of several exemplary cases.
Integration of NIR-HSI in real-time frameworks. Study of the feasibility of wavelengths
selection methods to narrow down the useful wavelength range in continuous hyperspectral
devices.Adaptation of continuous spectral measurements to filter-based or LED-based
hyperspectral machines. Implementation of tailored statistic parameters to assess the
fulfilment of the quality standards required by the industry.Automation to real-time industrial
framework.

5. NEAR INFRARED SPECTROSCOPY IN PROCESS
ANALYTICAL TECHNOLOGY (PAT)
This course highlights the different uses of NIR as a suitable analytical
chemistry tool for industrial use, and as one of the most powerful process
analytical technology (PAT) tools available. Several case-studies will be
discussed with participants, showing how to establish successful PAT
programs in-house and how to best use NIRS to support process/product
development and manufacturing across different industries.
Gledson Emidio has extensive experience in the
application and development of PAT tools for
spectroscopic and process data, in both academic
and industrial environments. He held a Marie
Curie Research Fellow while doing his PhD in
Chemical Engineering at the University of
Strathclyde, Scotland, and currently is a EU FP7
funded Research Associate at the same
University. As a PAT specialist at 4Tune
Engineering (2008-2010), he worked in several
projects for large Pharmaceutical and
Biotechnology industries in Portugal and
Germany.
Requirements: None
TRAINER PROFILE
Prof. José C. Menezes (University of Lisbon)
coordinates since 2007 a Masters Program in
Pharmaceutical Engineering covering QbD and PAT.
He is an active member of ISPE and several other
organizations in EU and US and has published
extensively on the above subjects. Founder and
partner of 4Tune Engineering Ltd (2004 -) a company
focused on supporting the lifecycle of PAT & QbD
solutions in pharma and biotech companies in Europe,
Brazil and USA.
Schedule: 8 am – 12 am
13:30 pm – 17:30 pm
(October 18, 2015)
The main topics covered will be
 NIRS 101: NIR spectroscopy in a nutshell
 Chemometrics 101: extracting information from spectral data
 Qualitative & Quantitative NIRS Applications
 Process Analysis & Monitoring: NIRS as a PAC Tool
 Process Supervision & Control: NIRS as a PAT Tool
 Good Practices in Calibration Development & Maintenance
 Developing & Filing NIR Methods for Pharmaceutical Applications
 Advanced Topics in PAC & PAT: data fusion and end-to-end applications
 Walkthrough Real World Case-Studies: Pharma, Chemical, Refining, etc
After an introduction (101 modules) both tutors will alternate during the course, each
walking through the remaining course topics with the PAC perspective and the
complementary PAT perspective, in a unique way that will be both informative and
‘entertaining’.

6. TOPICS IN CHEMOMETRICS FOR NEAR
INFRARED SPECTROSCOPY
Practical guidelines for reporting calibration results using NIR,
including figures of merit
Comparison of average errors for test sample sets. Linear versus
non-linear calibration models: when and why. PLS-1 vs. PLS-2,
PLS vs. PCR, PLS vs. MLR. Regression coefficients: use and
abuse. Figures of merit: sensitivity, selectivity, limits of detection
and quantitation.
Requirements: Basic notions of linear algebra,
regression analysis, multivariate calibration
and multivariate classification and MATLAB.
TRAINER PROFILE
Alejandro Olivieri was born in Rosario, Argentina, on
July 28, 1958. B.Sc. in Industrial Chemistry, Catholic
Faculty of Chemistry and Engineering (1982), Ph.D.,
Faculty of Biochemical and Pharmaceutical Sciences,
University of Rosario (1986). Professor at the
Department of Analytical Chemistry of the latter
Faculty and fellow of the National Research Council of
Argentina (CONICET). About 200 scientific papers in
international journals, several books and book
chapters and nine suprevised Ph.D. Theses. John
Simon Guggenheim Memorial Foundation fellow
(2001-2002).
Schedule: 8 am – 12 am
13:30 pm – 17:30 pm
(October 18, 2015)
Roberto Kawakami Harrop Galvão graduated in
Electronic Engineering with Summa cum Laude
honours at Instituto Tecnológico de Aeronáutica
(1995), where he also obtained the Doctorate
degree in Systems and Control (1999). He is
currently an Associate Professor at the Electronic
Engineering Department of ITA.
The Successive Projections Algorithm for Variable Selection in NIR
Variable selection in multivariate calibration and classification tasks: Motivation
and challenges. Collinearity problems in multiple linear regression (MLR). The
Successive Projections Algorithm for MLR modelling (SPA-MLR): Phase 1
(construction of chains of variables), Phase 2 (evaluation of subsets of variables)
and Phase 3 (final elimination of variables). Choice of validation samples for use
in Phase 2. Applications reported in the literature. Overview of the graphic user
interface for SPA-MLR. Example using NIR data. Use of SPA-MLR for selection of
robust variables in calibration transfer. Collinearity problems in linear discriminant
analysis (LDA). The Successive Projections Algorithm for LDA modelling (SPA-LDA):
Phases 1 and 2. Choice of validation samples for use in Phase 2.
Applications reported in the literature and example using NIR data. Comparison
with other variable selection methods. Limitations and possible drawbacks of SPA.
Mário César Ugulino de Araújo received the
B.S. degree in Industrial Chemistry from
Universidade Federal da Paraíba (1979) and
the Doctorate degree in Analytical Chemistry
from Universidade Estadual de Campinas
(1987). He is currently head of the Laboratório
de Instrumentação e Automação em Química
Analítica/Quimiometria at UFPB.