Method with ChromSword

Disadvantages Error levels still remain a concern, particularly with gradient systems and ionizable compounds. Systematic studies have not been published to date, but average errors in k for gradient systems can approach 30%. Also, both ChromSword and LC Simulator require a reasonable training set of compounds in order to characterize a chromatographic method for a particular compound. 

ChromSword for computer-assisted HPLC method development was developed between 1990 and 1995 as an extension of ChromDream HPLC method development software [1]. In 1999, the first version for automatic HPLC optimization was developed and launched by S. Galushko in collaboration with Merck KGaA (Darmstadt, Germany). As a result of cooperation with VWR International Scientific Instruments, Darmstadt, Germany, Hitachi High Technologies... 

ChromSword works with different retention models. The retention model is a type of experiment-based mathematical expression that describes the relationship between the retention of a compound and its properties, as well as the conditions appertaining to the chromatographic experiments. The determination of retention models that adequately describe the effect of chromatographic conditions on the retention of compounds in a sample is very much the focal point in method development software. In this case, on the basis of only a few experiments, the... 

The software has been equipped with a fimction such that it is not only able to conduct experiments with one column/organic modifier/buffer combination, but to automatically optimize a method by trying different column/organic modifier/ buffer combinations. The system provides imattended HPLC method development and performs autonomous development and optimization of isocratic and gradient methods for selection of the best variant column, pH value, solvent Two typical hardware configurations and other mixed combinations are supported by ChromSword standard and powerful. 

ChromSword is a software tool that is able to find the optimum conditions for H P LC automatically. Most optimizations may be achieved overnight or in weekend nms, resulting in a substantial reduction in working time and effort compared to that normally involved in method development Since the system offers several different isocratic and gradient optimum solutions, the user can select the solution which fits best for his or her particular application. The system optimizes for optimum peak resolution in minimum analysis time. Minimization of the nm time of routine methods offers the potential to substantially increase throughput and productivity in the analytical laboratory. The program also makes complex HPLC method development accessible to those with little HPLC experience. 

This so-called scouting can be simply automated in the case of switching valves for columns [5] and solvents [6]. Software products (see Chapters 4.1 and 4.2 in this book) such as AMDS (Waters), ChromSword Auto (VWR), and HEUREKA (AnaConDa) additionally facilitate the programming work by automatically providing sequences with the necessary control methods. 

If one plans to purchase an automatic method development system, one will first have to get an idea of the systems that are presently available on the market Essentially, only ChromSword Auto and, since recently, AMDS (based upon DryLab) are available, along with H EUREKA, which is presently being established on the market Characteristics and experiences with the three systems are compared in Table 2. This table can also be used as a check list in order to facilitate the decision in favor of one system or the other. 

The fine-tuned optimization is based on a maximum of two factors (e.g., DryLab with gradient and column temperature, AMDS). Further factors (such as pH) are optimized and/or adapted, when necessary, in a stepwise manner downstream. ChromSword Auto works likewise in a linear framework, in which it is meant to optimize. It collects data during the optimization runs that represent empirical values, and these are included as empirical data in the next experimental step, until the system finds the best method. 

There are several software and automated systems for HPLC method development and optimization, such as Drylab , Chromsword , and ACD/AutoChrom MDS, and others (43 7). Their principles can be applied to UHPLC. In addition. Waters Corp. (Milford, MA) has recently promoted Fusion Method Development software. Fusion Method Development software from S-Matrix integrates seamlessly with Water s ACQUITY UPLC and Empower 2 Chromatography software to automate method development. The software automatically generates instrument methods and sample sets. Another feature of this software is to visualize data by statistically fitting the results. However, it cannot generate simulated chromatograms at predicted conditions, like Drylab can. 

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