|For IDRC 2014, we are featuring several short courses to run
concurrently on Sunday August 3, 2014. All classes start Sunday morning, so make sure to elect short course housing during registration if you are staying in the dorm and plan to arrive on Saturday evening.
|Effective Use of Transforms for Chemometrics
David W. Hopkins, Ph. D. - NIR Consultant, Battle Creek, MI
This course will provide an overview of the principles of NIR Spectroscopy and an introduction to Principal Component Analysis and Partial Least Squares Regression. With this background, a detailed presentation of derivatives and transforms including Standard Normal Variate (SNV), Multiplicative Scatter Correction (MSC), and Extended Multiplicative Scatter Correction (EMSC) transforms will follow. Plotting tools to demonstrate the presence of multiplicative scatter effects will be shown. We will discuss when it is appropriate to apply the transforms, and when it is not appropriate. It will be demonstrated that derivatives do not necessarily increase the noise of spectra, and can in many instances reduce the spectrophotometric noise present in spectra. It is important to optimize the method of calculating derivatives, and the various methods and criteria for this optimization will be presented.
The course is intended for students and all people who apply NIR calibration methods in their work. It is meant to be stimulating for young chemometricians and provocative for the older ones. Only a familiarity with the mathematics of basic algebra is required. It is the aim to minimize the use of mathematics and emphasize the general graphical approach to spectroscopy and chemometrics.
Process Analytical Spectroscopy
Emil Ciurczak – Doramaxx, Consultant
Process analytical chemistry is defined by the FDA as a system for designing, analyzing, and controlling manufacturing through timely measurements (i.e., during processing) of critical quality and performance attributes of raw and in-process materials and processes, with the goal of ensuring final product quality. It is important to note that the term analytical in PAT is viewed broadly to include chemical, physical, microbiological, mathematical, and risk analysis conducted in an integrated manner. The goal of PAT is to enhance understanding and control the manufacturing process, which is consistent with our current drug quality system: quality cannot be tested into products; it should be built-in or should be by design.
This half-day course will provide a brief survey of spectroscopic tools, including chemometrics, especially near-infrared (NIR) used in PAT applications. The students will learn what things to be considered in order to implement PAT. Current developments in PAT for pharmaceutical manufacturing processes will be discussed.
|Introduction to NIR Spectroscopy
Stephan Hoag, Professor
Department of Pharmaceutical Sciences, University of Maryland School of Pharmacy & Rodolfo Romañach, Professor of Chemistry, Department of Chemistry, University of Puerto Rico – Mayaguez Campus
This course will provide an introduction to NIR spectroscopy and chemometrics. It is intended for spectroscopists that have not worked with NIR and scientists familiar with other analytical techniques such as chromatography. At the conclusion of the morning session, course participants will:
- Describe the characteristics of NIR spectra and explain how they differ vs. mid-IR and Raman spectra
- Describe the advantages and disadvantages of NIR spectroscopy.
- Define scattering and the effect of particle size on NIR spectra.
- Define diffuse reflectance, transmittance and transflectance and identify probes for these measurements. Explain differences in NIR diffuse reflectance and transmission spectra.
- Explain why NIR spectra are characterized by baseline changes.
- Familiarized with NIR applications such as identification of raw materials and moisture content.
At the end of the afternoon session course participants will:
- Explain why preprocessing of NIR spectra is necessary.
- Explain the goals of chemometrics.
- Be familiarized Principal Component Analysis.
- Know the common calibration methods used for NIR applications.
- Explain how calibration models are developed and how the concentration range of pharmaceutical samples is expanded.
|Short courses are free for students, and early course registration for non-students is $280 before June 30. Click here to go to the registration page.
|For more information contact Gary E. Ritchie by email.