Vol. 24, No. 3 - May/June 2024

IN THIS ISSUE: substitute materials, chemical technology, a catchier name for DOE, and more

FAQ

Working a substitute material into a mixture design for optimal formulations

Original question from an R&D Manager:
“I am currently looking at the best way to optimize the content of three distinct enzymes to maximize (or minimize) glucose production. We generally use Stat-Ease software’s mixture designs for this type of work. However, I am confronted with the need to discern the impact of substituting Enzyme 3 with its counterpart, Enzyme 3A. Although these two enzymes share a high degree of similarity, commercially, Enzyme 3A is deemed more suitable for the intended application. The primary concern revolves around determining the consequential effects of this enzyme substitution without resorting to the execution of two separate experiments.

"For clarity Enzyme 3 and 3A cannot be used together. I am looking for a design approach to account for this substitution within the confines of a single optimization design if possible. Any ideas?”


Answer:
I suggest you set this up as an optimal combined design with 3 mixture components (E1, E2, E3) and 1 categoric factor specifying which type of E3 to use (old versus new). For example, I created a randomized 18-run I-optimal design for a quadratic mixture model crossed with a main effects (categoric) model using point exchange. It includes 4 lack-of-fit and 4 replicate points—plus one extra center point to provide one for each of the E3 options (old versus new). See the layouts and standard error surfaces below:

Keep in mind that the algorithms for optimal design start from a random seed, thus if you re-create it, the point locations will most likely be a bit different.

By going this one-design route, you cut the number of runs by nearly half versus doing two experiments. Also, rather than simply picking the winner, via the crossed model you gain insights on how the choice of enzyme (old versus new) depends on the composition of the entire formulation.

(Learn more about combined designs by enrolling in the next Mixture Design for Optimal Formulations workshop.)

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INFO


With input from my colleague Martin Bezener, I updated the September 2010 entry on DOE for the Kirk-Othmer Encyclopedia of Chemical Technology. This article—see manuscript here—focuses on the fundamental elements of design of experiments: Defining the purpose and scope of the research, differentiating between alternative types of input variables, understanding the underlying environment and constraints, and conducting stage-wise blocks of runs. It lays out a multifactor approach that is far more effective and efficient than one-factor-at-a-time (OFAT) for chemical (and other process industry) research and development.

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Stat-Ease Blog

Great tips from the Stat-Ease team for making DOE easy, for example, this recent series of posts by Richard Williams on “Achieving robust processes via three experiment-design options.”

Feel free to get back to me via mark@statease.com with further questions or comments: I would really appreciate hearing from you!

All the best,

Mark J. Anderson, PE, CQE, MBA
Engineering Consultant, Stat-Ease, Inc.
www.linkedin.com/in/markstat/

QUOTE OF THE DAY

“I have had great success calling it by another name: ‘strategic data collection.’ This changes the focus from the tools, which may have undesirable mathematical and theoretical connotations for many, to an emphasis on what can be accomplished by the approach.”

Christine Anderson-Cook, Expert Answers column in March 2024 Quality Progress in response to a reader who needs help convincing his boss to embrace DOE.


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