Chemometrics in Analytical Chemistry 2014

Scientific

 

Final Program

	Monday	Tuesday	Wednesday	Thursday	Friday
Morning	Short courses	Technical session/ poster session	Technical session/ poster session	Technical session	Technical session and closing plenary lecture
Afternoon	Short courses	Technical session/ poster session	Technical session/ poster session	Excursions
Evening	Opening plenary lecture and reception			Conference banquet

 

A detailed version of the Final Program with all oral and poster presentations is available by clicking here.

Oral and Poster abstracts are available by clicking here.

Plenary and Keynote Speakers

The conference organizers have already arranged for a number of eminent chemometrics researcher to present their work, as listed below:

Chris Brown, 908devices (US), "A bird in hand: The central role of chemometrics in the exploding field of handheld instrumentation"

Márcia M. C. Ferreira, State University of Campinas (BR), "Chemometrics in the LQTA-UNICAMP BRAZIL: Recent theoretical advances and novel applications"

Peter Filzmoser, Vienna University of Technology (AT), "Opportunities of compositional data analysis in chemometrics"

Paul Gemperline, East Carolina University (US), "Perspectives on the interdisciplinary nature of chemometrics and the future of its identity as a discipline"

Dan Jacobson,  Stellenbosch University (SA), "Gene sets: Strolling through a random forest"

Renee Jiji, University of Missouri (US), "Let the data do the talking: Combining chemometrics and spectroscopy to explore biological systems"

Mary Beth Seasholtz, Dow Chemical Company (US), "Chemometrics models over the decades: Strategies for long-term support"

Age Smilde, University of Amsterdam (NL), "Critical issues in analyzing complex metabolomics data"

Robert Synovec, University of Washington (US), "Chemometric approaches to maximize interpretation of GC – TOFMS and GC x GC – TOFMS data"

Call for Papers

Chemometrics in Analytical Chemistry, CAC-2014, is inviting abstract submissions for oral presentations and posters for the Richmond conference from June 9 -13, 2014. Topics that are especially encouraged are applications in chromatography and spectroscopy; novel chemometric methods; multi-way methods; industrial applications; -omics applications; variable selection methods and more. Abstracts for consideration can be submitted as oral presentation only, poster presentation only or oral presentation if available otherwise a poster presentation is acceptable. Please note that limited oral presentation opportunities will be available because parallel sessions will not be held. Abstracts must be submitted by January 31, 2014. Authors will be notified of acceptance and presentation format by February 28, 2014.

A downloadable version of this Call for Papers is available by clicking here.

Abstract Submission

Please download the abstract submission instructions by clicking here and then click on the link below to submit your abstract. Please note that the abstract submission process works best using Internet Explorer or Google Chrome.

Submit Abstract

Anal. Chim. Acta Special Issue

Participants are invited to submit their manuscript for possible publication in Analytica Chimica Acta – including a Virtual Special Issue devoted to CAC-2014. All manuscripts must meet the standards of the journal: they will need to show clear analytical advances, not just "novelty" and they must match the scope of the journal. A Virtual Special Issue implies that all papers will be handled and reviewed as regular submissions to the journal. Accepted papers will be published individually in regular issues. A footnote will indicate at which conference the paper was presented, and this will be used for selection and linking to the Virtual Special issue. Click here to download more specific instructions for submission of your article. Manuscripts should be submitted by October 1, 2014.

Short Courses

Several short courses will be offered on Monday, June 9; the descriptions and fees are given below.

Course 1, Monday, June 9, 8:30 am - Advanced Preprocessing for Spectroscopic Applications
Course Instructor: Neal B. Gallagher (Eigenvector Research, Inc.)

The objective of data preprocessing is to remove extraneous variance and anomalies and is often the critical step in development of a successful multivariate calibration or classification scheme. Spectroscopic data poses its own unique problems and also opportunities due to its highly structured nature. The objective of spectroscopic data preprocessing is to maximize signal-to-clutter (S/C) where clutter is defined as extraneous variance and data anomalies that can 'distract' model development. Maximizing S/C is a different paradigm than maximizing signal-to-noise and a firm understanding of the preprocessing algorithms and objectives can lead to more efficient and effective model development. Advanced Preprocessing for Spectroscopic Applications starts with a brief review of basic preprocessing methods to demonstrate how they work within the objective of maximizing S/C and how they can be misused. This includes centering and scaling, smoothing and derivatizing, and baselining. The course then delves into more advanced topics such as multiplicative scatter correction, extended multiplicative scatter correction and generalized least squares-like weighting. Examples will be focused on spectroscopic applications although many methods are directly applicable to other types of data. The mathematical principles for the preprocessing methods will also be covered.

Course 2, Monday, June 9, 1:30 pm - Alternative Modeling Methods in Chemometrics

Course Instructor: Neal B. Gallagher (Eigenvector Research, Inc.)

Principal components analysis and inverse least squares methods are ubiquitous in chemometrics but alternative techniques are gaining in popularity. This half-day course will focus on alternative analysis methodologies that can be used for exploratory analysis, detection, classification and quantification. The course will start by covering forward regression methods including classical, extended, weighted and generalized least squares. It will be shown how these methods can be used to account for interferences in measurements and also provide a natural framework for the development of popular de-cluttering methods such as external parameter orthogonalization and generalized least squares weighting. It will also be shown how constraints can be easily employed with these methods to allow greater control over the modeling. The fundamentals will then be expanded further to examine maximum autocorrelation factors and independent components analysis. Examples will be shown throughout.

Course 3, Monday, June 9, 8:30 am – Multivariate Curve Resolution - Basics

Course Instructors:
Romà Tauler, Joaquim Jaumot (IDAEA-CSIC, Barcelona), Anna de Juan (Universitat de Barcelona).

The Multivariate Curve Resolution – Basics course will include the basic concepts, single data set analysis and introduction to multiset analysis, with examples from process analysis, chromatographic data sets, hyperspectral images and environmental data sets.

Course 4, Monday, June 9, 1:30 pm – Advanced Multivariate Curve Resolution

Course Instructors:
Romà Tauler, Joaquim Jaumot (IDAEA-CSIC, Barcelona), Anna de Juan (Universitat de Barcelona).

The Advanced Multivariate Curve Resolution course will go more into depth on multiset analysis and cover the assessment of ambiguity in multivariate curve resolution results. MCR variants such as correlation constraints, hybrid hard- and soft-modeling will also be discussed. Examples will be drawn from fluorescence data sets, process analysis, chromatographic data sets and environmental data sets.

Short Course Registration Fees:

Short Course	Academic	Industrial	Student
Course 1, Monday, June 9, 8:30 am - Advanced Preprocessing for Spectroscopic Applications	$250	$550	$250
Course 2, Monday, June 9, 1:30 pm - Alternative Modeling Methods in Chemometrics	$250	$550	$250
Course 3, Monday, June 9, 8:30 am – Multivariate Curve Resolution - Basics	$225	$225	$100
Course 4, Monday, June 9, 1:30 pm – Advanced Multivariate Curve Resolution	$225	$225	$100

 

To register for one or more short courses, click here to use the conference registration site.