Strategies for Formulations Development

Ronald Snee, Roger Hoerl

Description

Strategies for Formulations Development: A Step-by-Step Guide Using JMP is based on the authors' significant practical experience partnering with scientists to develop strategies to accelerate the formulation (mixtures) development process. The authors not only explain the most important methods used to design and analyze formulation experiments, but they also present overall strategies to enhance both the efficiency and effectiveness of the development process.

With this book you will be able to:

• Approach the development process from a strategic viewpoint with the overall end result in mind.
  
• Design screening experiments to identify components that are most important to the performance of the formulation.
  
• Design optimization experiments to identify the maximum response in the design space.
  
• Analyze both screening and optimization experiments using graphical and numerical methods.
  
• Optimize multiple criteria, such as the quality, cost, and performance of product formulations.
  
• Design and analyze formulation studies that involve both formulation components and process variables using methods that reduce the required experimentation by up to 50%.
  

Linking dynamic graphics with powerful statistics, JMP helps construct a visually compelling narrative to interactively share findings that are coherent and actionable by colleagues and decision makers. Using this book, you can take advantage of computer generated experiment designs when classical designs do not suffice, given the physical and economic constraints of the experiential environment.

Strategies for Formulations Development: A Step-by-Step Guide Using JMP(R) is unique because it provides formulation scientists with the essential information they need in order to successfully conduct formulation studies in the chemical, biotech, and pharmaceutical industries.

Sujets

• COMPUTERS
• Enterprise software
• Mixture
• Pharmaceutical drug
• General officer
• Design of experiments
• Biotechnology
• General

Informations

• Publié par: SAS Institute
• Date de parution: 27 septembre 2016
• Nombre de lectures: 2
• EAN13: 9781629605302
• Langue: English
• Poids de l'ouvrage: 19 Mo

Extrait

Strategies for Formulations Development
A Step-by-Step Guide Using JMP
Ronald D. Snee Roger W. Hoerl
support.sas.com/bookstore
The correct bibliographic citation for this manual is as follows: Snee, Ronald, and Roger Hoerl. 2016. Strategies for Formulations Development: A Step-by-Step Guide Using JMP . Cary, NC: SAS Institute Inc.
Strategies for Formulations Development: A Step-by-Step Guide Using JMP
Copyright 2016, SAS Institute Inc., Cary, NC, USA
ISBN 978-1-62959-670-9 (Hard copy) ISBN 978-1-62960-530-2 (EPUB) ISBN 978-1-62960-531-9 (MOBI) ISBN 978-1-62960-532-6 (PDF)
All Rights Reserved. Produced in the United States of America.
For a hard-copy book: No part of this publication may be reproduced, stored in a retrieval system, or transmitted, in any form or by any means, electronic, mechanical, photocopying, or otherwise, without the prior written permission of the publisher, SAS Institute Inc.
For a web download or e-book: Your use of this publication shall be governed by the terms established by the vendor at the time you acquire this publication.
The scanning, uploading, and distribution of this book via the Internet or any other means without the permission of the publisher is illegal and punishable by law. Please purchase only authorized electronic editions and do not participate in or encourage electronic piracy of copyrighted materials. Your support of others rights is appreciated.
U.S. Government License Rights; Restricted Rights: The Software and its documentation is commercial computer software developed at private expense and is provided with RESTRICTED RIGHTS to the United States Government. Use, duplication, or disclosure of the Software by the United States Government is subject to the license terms of this Agreement pursuant to, as applicable, FAR 12.212, DFAR 227.7202-1(a), DFAR 227.7202-3(a), and DFAR 227.7202-4, and, to the extent required under U.S. federal law, the minimum restricted rights as set out in FAR 52.227-19 (DEC 2007). If FAR 52.227-19 is applicable, this provision serves as notice under clause (c) thereof and no other notice is required to be affixed to the Software or documentation. The Government s rights in Software and documentation shall be only those set forth in this Agreement.
SAS Institute Inc., SAS Campus Drive, Cary, NC 27513-2414
September 2016
SAS and all other SAS Institute Inc. product or service names are registered trademarks or trademarks of SAS Institute Inc. in the USA and other countries. indicates USA registration.
Other brand and product names are trademarks of their respective companies.
SAS software may be provided with certain third-party software, including but not limited to open-source software, which is licensed under its applicable third-party software license agreement. For license information about third-party software distributed with SAS software, refer to http://support.sas.com/thirdpartylicenses .
Contents
Preface
About This Book
About These Authors
Part 1: Fundamentals
Chapter 1 Introduction to Formulations Development
Overview
1.1 Examples of Formulations
1.2 How Formulation Experiments are Different
Displaying Formulation Compositions Using Trilinear Coordinates
1.3 Formulation Case Studies
Food Product
Pharmaceutical Tablet Formulation
Lubricant Formulation
Pharmaceutical Tablet Compactability
1.4 Summary and Looking Forward
1.5 References
Chapter 2 Basics of Experimentation and Response Surface Methodology
Overview
2.1 Fundamentals of Good Experimentation
Well-Defined Objectives
High Quality Data
How Many Formulations or Blends Do I Need to Test?
2.2 Diagnosis of the Experimental Environment
2.3 Experimentation Strategy and the Evolution of the Experimental Environment
Screening Phase
Optimization Phase
2.4 Roadmap for Experimenting with Formulations
Part 2: Design and Analysis of Formulation Experiments
Chapter 3 - Experimental Designs for Formulations
Overview
3.1 Geometry of the Experimental Region
3.2 Basic Simplex Designs
3.3 Screening Designs
3.4 Response Surface Designs
3.5 Summary and Looking Forward
3.6 References
Chapter 4 - Modeling Formulation Data
Overview
4.1 The Model Building Process
4.2 Summary Statistics and Basic Plots
4.3 Basic Formulation Models and Interpretation of Coefficients
4.4 Model Evaluation and Criticism
4.5 Residual Analysis
4.6 Transformation of Variables
4.7 Models with More Than Three Components
4.8 Summary and Looking Forward
4.9 References
Chapter 5 - Screening Formulation Components
Overview
5.1 Purpose of Screening Experiments
5.2 Screening Concepts for Formulations
5.3 Simplex Screening Designs
5.4 Graphical Analysis of Simplex-Screening Designs
5.5 After the Screening Design
5.6 Estimation of the Experimental Variation
5.7 Summary and Looking Forward
5.8 References
Part 3: Experimenting With Constrained Systems
Chapter 6 - Experiments with Single and Multiple Component Constraints
Overview
6.1 Component Constraints
6.2 Components with Lower Bounds
6.3 Three-Component Example
6.4 Computation of the Extreme Vertices
6.5 Midpoints of Long Edges
6.6 Sustained Release Tablet Development - Three Components
6.7 Four-Component Flare Experiment
Computation of the Vertices
Number of Blends Required
Addition of the Constraint Plane Centroids
Regions with Long Edges
Evaluation of the Results
6.8 Graphical Display of a Four-Component Formulation Space
6.9 Identification of Clusters of Vertices
6.10 Construction of Extreme Vertices Designs for Quadratic Formulation Models
Replication and Assessing Model Lack of Fit
6.11 Designs for Formulation Systems with Multicomponent Constraints
6.12 Sustained Release Tablet Formulation Study
6.13 Summary and Looking Forward
6.14 References
Chapter 7 - Screening Constrained Formulation Systems
Overview
7.1 Strategy for Screening Formulations
7.2 A Formulation Screening Case Study
7.3 Blending Model and Design Considerations
7.4 Analysis: Estimation of Component Effects
Calculating Component Effects: Examples
7.5 Formulation Robustness
7.6 XVERT Algorithm for Computing Subsets of Extreme Vertices
Eight-Component XVERT Design and Analysis
7.7 Summary and Looking Forward
7.8 References
Plackett-Burman Designs for 12, 16, and 20 Runs
Chapter 8 - Response Surface Modeling With Constrained Systems
Overview
8.1 Design and Analysis Strategy for Response Surface Methodology
8.2 Plastic Part Optimization Study
8.3 Quadratic Blending Model Design Considerations
8.4 Example - Plastic Part Formulation
8.5 Example - Glass Formulation Optimization
8.6 Using the XVERT Algorithm to Create Designs for Quadratic Models
8.7 How to Use Computer-Aided Design of Experiments
8.8 Using JMP Custom Design
8.9 Blocking Formulation Experiments
8.10 Summary and Looking Forward
8.11 References
Part 4: Further Extensions
Chapter 9 - Experiments Involving Formulation and Process Variables
Overview
9.1 Introduction
9.2 Additive and Interactive Models
9.3 Designs for Formulations with Process Variables
9.4 The Option of Non-Linear Models
9.5 A Recommended Strategy
9.6 An Illustration Using the Fish Patty Data
9.7 Summary and Looking Forward
9.8 References
Chapter 10 - Additional and Advanced Topics
Overview
10.1 Model Simplification
10.2 More Advanced Model Forms
Common Alternative Model Forms
Application of Alternative Models to the Flare Data
10.3 Response Optimization
10.4 Handling Multiple Responses
The Derringer and Suich Approach
10.5 Multicollinearity in Formulation Models
What Is Multicollinearity?
Quantifying Multicollinearity
The Impact of Multicollinearity
Addressing Multicollinearity
10.6 Summary
10.7 References
Index
Preface
The height of sophistication is simplicity.
Clare Boothe Luce, 1931
Overview
In this preface, we provide an introduction to our book that includes our experiences in formulation development. Guidance is also provided on what you will learn and important success factors to be aware of and applied.
At all times we are focused on simplicity: simplicity in experimental design, data analysis, interpretation and communication of results. By focusing constantly on simplicity, we have found that formulations are developed faster and their characteristics are easier to understand and communicate to others.
Many products are formulations in which various ingredients or components are blended (mixed) together and processed to produce the final product. Some examples are shown in Table 1 (adapted from Smith 2005). In understanding formulations and how they arise, it is helpful to see the various industries that create and manufacture formulations. Some examples of such industries are summarized in Table 2 .
Table 1 - Products Created by Blending Two or More Ingredients or Components Adhesives Dyes Lubricants Rocket Propellants Aluminum Fiber Finishes Metal Alloys Rubber Animal Feed Floor Coverings Paints Sealants Artificial Sweeteners Floor Finishes Paper Coatings Soaps Beverages Foams Personal Care Pro