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In this extended special feature to celebrate the 35th anniversary edition of LCGC Europe, leading figures from the separation science community explore contemporary trends in separation science and identify possible future developments.

Separation Science: The State of the Art: Graph Neural Networks for Improved Retention Time Predictions

Kevin A. Schug is a Full Professor and Shimadzu Distinguished Professor of Analytical Chemistry in the Department of Chemistry & Biochemistry at The University of Texas (UT) at Arlington. He joined the faculty at UT Arlington in 2005 after completing a Ph.D. in Chemistry at Virginia Tech under the direction of Prof. Harold M. McNair and a post-doctoral fellowship at the University of Vienna under Prof. Wolfgang Lindner. Research in the Schug group spans fundamental and applied areas of separation science and mass spectrometry. Schug was named the LCGC Emerging Leader in Chromatography in 2009, and most recently has been named the 2012 American Chemical Society Division of Analytical Chemistry Young Investigator in Separation Science awardee.

This instalment of the LCGC Blog investigates fundamental relationships between the structures of molecules and their interaction with different materials, in the context of online supercritical fluid extraction–supercritical fluid chromatography (SFE–SFC).

The LCGC Blog: Working with Data Scientists to Improve Online Chemical Extraction and Analysis

Paul Bohn, the Arthur J. Schmitt Professor of Chemical and Biomolecular Engineering at the University of Notre Dame, is the 2022 recipient of the Society for Electroanalytical Chemistry (SEAC) Charles N. Reilley Award. 

Paul Bohn Receives SEAC Charles N. Reilley Award

Examples from food science illustrate the usefulness of chemometrics techniques like pattern recognition, regression, and classification.

Enter the Matrix: Improving the Interpretation of Separations Data Using Chemometrics in Analytical Investigations

L. Scott Ramos will receive the 2021 Eastern Analytical Symposium (EAS) Award for Outstanding Achievements in Chemometrics at the EAS Symposium taking place November 15–17, 2021, in Plainsboro, New Jersey. 

L. Scott Ramos Wins 2021 EAS Award for Outstanding Achievements in Chemometrics

A panel discussion on the latest advances and future developments in data handling.

Trends and Developments in Data Handling

The topic of chromatographic integration and data interpretation raises a lot of questions about data integrity. Is it acceptable to integrate data? What are the limits?

The Question of Chromatographic Integration in Data Integrity

Are You Producing Data or Information?

We have entered a new stage in the era of accelerations. Moore’s law continues its expansion, increasing exponentially the computer power available. Other accelerations are remarkable, particularly easy access to cloud computing and the expansion and influence of artificial intelligence to practically all sectors of our society.

A New Era for Big Data and Chromatography

Derringer desirability functions are a great favorite of mine because they are very simple and flexible. They may be applied to a variety of problems: whenever you need to select the “best” (sample, method, operating conditions etc.) from a set. It is also a convenient way to compare apples and oranges, whenever totally unrelated features must be ranked. They were first described by Derringer and Markham1 to select polymeric materials based on varied properties.

Data Analysis, Statistics, and Chemometrics | Topics