In Silico Multifactorial Modeling for Streamlined Development and Optimization of Two-Dimensional Liquid Chromatography
Continued adoption of two-dimensional liquid chromatography (2D-LC) in industrial laboratories will depend on the development of approaches to make method development for 2D-LC more systematic, less tedious, and less reliant on user expertise. In this paper, we build on previous efforts in these directions by describing the use of multifactorial modeling software that can help...
Mapping the Separation Landscape in Two-Dimensional Liquid Chromatography: Blueprints for Efficient Analysis and Purification of Pharmaceuticals Enabled by Computer-Assisted Modeling
Customers of ACD/LC Simulator (now available as ACD/Method Selection Suite) contributed to this article on how they used the software to optimize 2D LC separations.
Introducing a New Technique to Enable Chromatographic Separation Using Computer-assisted Modelling
Imad Haidar Ahmad and colleagues at Merck present multifactorial peak crossover (MPC)—a new technique to quickly isolate peaks of interest. Using computer-assisted chromatographic modelling, the separation landscape is mapped and conditions that change peak-elution orders are found. Peaks of interest can be quickly shifted to convenient areas of the chromatogram, dramatically reducing the time spent...
Introducing Multifactorial Peak Crossover in Analytical and Preparative Chromatography via Computer-Assisted Modeling
In this article, Merck describes how they used ACD/LC Simulator to model peak crossover and improve productivity in prep LC development.
Teaching Chromatography Outside the Lab
See how one professor used our chromatography software to teach a virtual lab.
Mapping the Separation Landscape of Pharmaceuticals: Rapid and Efficient Scale-Up of Preparative Purifications Enabled by Computer-Assisted Chromatographic Method Development
In this article, computer-assisted modeling using ACD/LC Simulator is introduced as an initial analytical framework to isolation and purification workflows, enabling the rapid increase of scale-up productivity of target pharmaceuticals in multicomponent mixtures.
Generic Ion Chromatography Conductivity Detection Method for Analysis of Palladium Scavengers in New Drug Substances
In this article, the use of ACD/LC Simulator to generate 3D resolution maps with separation conditions that matched the outcome of subsequent experimental data is discussed. Method validation experiments showed excellent analytical performance in linearity, recovery, repeatability, and loq/LOD.
Multi-column ultra-high performance liquid chromatography screening with chaotropic agents and computer-assisted separation modeling enables process development of new drug substances
This article describes a simple approach for the development and implementation of an efficient ultra-high performance liquid chromatography (UHPLC) assay that is extensively applied to the separation and analysis of multicomponent reaction mixtures of closely related pharmaceutical intermediates and impurities. ACD/LC Simulator was used in conjunction with multi-column and multi-solvent UHPLC screening to optimize methods.
Generic anion-exchange chromatography method for analytical and preparative separation of nucleotides in the development and manufacture of drug substances
This article discusses a generic ion-exchange method for analytical and preparative separation of nucleotides. This method was optimized using ACD/LC Simulator.