Chemical & Pharmaceutical Structure Analysis
Where Technology and Solutions Meet

CPSA 2011

Science and Technology Coming Together to Make a Difference

October 3 - 6, 2011
Bucks County Sheraton Hotel
Langhorne, PA


Poster Abstract #35

Efficient Strategy for Generating Method-Specific Workflows in an Electronic Lab Notebook

Brian Beato, Jessica White and April Pisek

AIT Bioscience, 7840 Innovation Drive, Indianapolis, IN 46278, USA

One common concern among scientists regarding implementing an electronic laboratory notebook (ELN) is that method-specific workflows may either lack sufficient detail to be useful, or require repeated validation exercises for each new method. With the strategy for designing ELN workflows outlined here, a detailed, method-specific workflow can be written for any method in less than a few minutes without requiring additional workflow validation. As an example, a workflow for instrumental analysis is designed to include a hidden table for listing method-specific details such as mobile phases, column, temperature, wash solvents, and system suitability criteria. This table remains empty in the primary ELN workflow, which then goes through a very extensive validation process to ensure that its functionality and links to other databases are accurate. From this validated primary workflow, many unique secondary workflows can be written by including method-specific information in the aforementioned hidden table. Entries made in the hidden table in these method-specific secondary workflows are automatically copied into fields visible to the end user, thus providing specific details necessary for performing a given method. Generating secondary workflows by merely adding information to the hidden table in the primary workflow does not alter functionality, so no additional validation is required. During method development, as various parameters are updated, the hidden table in the validated instrumental analysis workflow is updated with the method-specific information. Additionally, screen captures of LC and MS/MS parameters such as the mobile phase gradient, tune parameters, and m/z transitions may be brought into the secondary workflow, providing more instructional detail without impacting previously-validated workflow functionality. Taking merely minutes to create, such secondary workflows provide all necessary method-specific detail without requiring additional validation.

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