Scientists use various kinds of chromatography daily. Some researchers use liquid chromatography (LC), others use gas chromatography (GC), and many use both, plus additional methods of separation. Some standard methods can even be modified to do more, such as high-performance liquid chromatography (HPLC) and fast protein liquid chromatography (FPLC). Many steps, from sample preparation to data analysis, can slow down analysis and the speed to results. Chromatography software plays a fundamental part in workflow. This can extend from method development through experimental control to collecting and analyzing the data. The question is: How can software improve the workflow of chromatography?
“The most common bottlenecks in chromatography occur when there has to be manual intervention for either sample loading, concentration, or analysis for purity,” says Chelsea Pratt, collaborations and applications manager of the protein purification business at Bio-Rad Laboratories. “By performing method optimization to generate automated, multicolumn protocols, we can eliminate the requirement for manual intervention at multiple steps.”
The software solution that improves workflow for chromatography the best depends entirely on what a specific lab needs.
Some of the key bottlenecks relate directly to the software. Linda Doherty, senior manager for product marketing of software and informatics at Agilent Technologies, points out four: connecting a laboratory information management system (LIMS) to instruments; method management and electronically secure transfer of methods to quality control labs; identifying artifacts and outliers at a glance across a data set; and multitechnique instrument support—chromatography and other technologies.
Taking some of the backup out of those bottlenecks can be accomplished with available tools. It comes down to finding the features that fit a lab’s needs.
Features to find
When it comes to software, more features are usually better than less, as long as they do something valuable, instead of just cluttering up a screen and a process. With chromatography software, a few key features really make a difference.
To get started, says Doherty, find “a single interface that works for mass spectrometry and other chromatography detectors.” This data system should also accommodate platforms from multiple vendors and make it easy to build production workflows.
Doherty also encourages scientists to find software with three key data capabilities: an integrated calculation engine that eliminates the need for Excel; advanced, contemporary technical controls for industry specific regulations; and secure data storage that provides integrity regardless of the market served.
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As mentioned, today’s chromatography software should include the ability to tailor calculations and reports to quickly get the results required. There are a few capabilities to expect. For many scientists, software serves a data-analysis role, and that continues to be one of the key expectations. As a result, Doherty says that chromatography software should allow “custom calculations and reports for market-specific analyses.” She adds, “The software should include a simplified user interface for novice analysts, reducing the need for extensive training.”
A variety of features can make life easier in the lab. “Since chromatography is a complex mode of separation, the key features for software have to be their ease of use, teachability, and reliability,” says Pratt. “Many scientists from different backgrounds and fields of research use chromatography, and the software has to be flexible in order to address the needs of both beginners as well as ones who have performed chromatography for 20 or more years.”
Fit the needs
Bio-Rad’s new high-capacity NGC Fraction Collector, combined with the NGC Chromatography Systems has the flexibility to collect into multiple vessel types—deep well plates, tubes, bottles and carboys—and accessibility to fractions with an open, front-to-back collection scheme. The new ChromLab 5.0 Software provides the ability to customize processes.
The systems available today provide extremely sophisticated possibilities. Some labs need that; some labs don’t. At the antibody producer Abwiz Bio, scientists use protein A and G chromatography, which are both based on bacterial proteins that can capture antibodies, and some ion-exchange chromatography, which separates analytes based on their polarity. According to Michael Storms, product manager at Abwiz Bio, “We use a Bio-Rad Biologic LP and fraction collector, with their software. This machine is outdated, but a very well built and reliable instrument.” This company runs relatively low flow rates. As Storms says, “We do not use bioreactors or high-throughput chromatography, and we do not perform HPLC or FPLC.”
The situation faced by scientists at Abwiz Bio portrays the take-home message here: The software solution that improves workflow for chromatography the best depends entirely on what a specific lab needs. It depends on the kind of chromatography being used, as well as the bigger research agenda and equipment surrounding it. But in all sorts of situations and chromatography applications, some basics apply when it comes to using software to optimize a process. The general approach should be: Find the worst bottleneck, and improve it; then, find the new worst bottleneck, and work on it.
A scientist should expect a chromatography software package to accommodate various applications. “Chromatography software needs to be flexible so that the user can modify or change the programming in a simple and easy-to-implement way,” Pratt explains. “If programming is difficult or restrictive, users might prefer to use less automated methods in order to achieve their purification in a confident manner.” Conversely, Pratt explains, “When chromatography software, such as Bio-Rad’s ChromLab software, is easy to learn and use, the fear of losing sample or time is minimized, allowing for automation and faster time to pure protein.”
As equipment, software and lab objectives evolve, so will the bottlenecks. In a lab that efficiently uses chromatography and runs analyses as quickly and efficiently as possible, scientists must identify the new bottlenecks and attack them. Software can provide many ways to enhance the overall workflow. Nonetheless, the word ‘overall’ suggests that the entire system—software and instrumentation—must be considered.
Workflows are complex and have many variables, which makes the technique and the analyst’s skill crucial. The sample being used also impacts the process. Sample processing can often include manual steps that slow down the flow. Any adjustment or change in the sample or process will require reviewing all steps for efficiency. Even in this changing collection of tools and techniques, the software remains a key player in smoothing out the workflow. To make the most of a software package, a scientist should know what it can do, and have enough training and knowledge to know how to use it efficiently. Today’s science requires the knowledge of many advanced technologies. So, scientists do not have the time to thoroughly and immediately explore all software capabilities. Consequently, vendors must develop software that is easy to learn and provide do-it-yourself user assistance for more advanced functions. Getting the most out of software is one of the pillars of today’s scientific power.
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