Supplementary Appendix 2 to A Practical Approach to Modelling of Reversed-Phase Liquid Chromatographic Separations: Advantages, Principles, and Possible Pitfalls
LCGC Europe
This information is supplementary to the article “A Practical Approach to Modelling of Reversed-Phase Liquid Chromatographic Separations: Advantages, Principles, and Possible Pitfalls” that was published in the March 2018 LCGC Europe issue.
Flow diagram for modelling based on the manual approach
Optional determination of Vm Vd, ECBB and confirm linearity of gradient profile
âº
Select appropriate samples (that is, forced degradation, mother liquors etc.)
âº
Select suitable retention model (for example, log(k )= q1 + q2 F + q3 F2.)
âº
Select appropriate input experiments (tG, T etc.)
âº
Write methods and sequence (allowing sufficient time to equilibrate the new conditions)
âº
Collect input data for fitting and evaluation of models (typically performed overnight)
âº
Perform peak assignment / tracking (using MS, UV DAD, or peak areas), determine peak area, width, and asymmetry
âº
Produce Excel tables for each input experiment, copy, and paste into retention software input section
âº
Enter chromatographic conditions used
âº
Combine each individual input run into one large combined table
âº
Transfer input data to modelling software and fit models
âº
Evaluate resolution as a function of the operating variable examined (that is, gradient shape and T)
âº
Establish operational parameters fit for purpose (that is, identify robust conditions)
âº
Collection of data for confirmation of optimal conditions
âº
Optional in silico evaluation of other column formats, particle size, and flow
Investigating the Protective Effects of Frankincense Oil on Wound Healing with GC–MS
April 2nd 2025Frankincense essential oil is known for its anti-inflammatory, antioxidant, and therapeutic properties. A recent study investigated the protective effects of the oil in an excision wound model in rats, focusing on oxidative stress reduction, inflammatory cytokine modulation, and caspase-3 regulation; chemical composition of the oil was analyzed using gas chromatography–mass spectrometry (GC–MS).
Evaluating Natural Preservatives for Meat Products with Gas and Liquid Chromatography
April 1st 2025A study in Food Science & Nutrition evaluated the antioxidant and preservative effects of Epilobium angustifolium extract on beef burgers, finding that the extract influenced physicochemical properties, color stability, and lipid oxidation, with higher concentrations showing a prooxidant effect.
Rethinking Chromatography Workflows with AI and Machine Learning
April 1st 2025Interest in applying artificial intelligence (AI) and machine learning (ML) to chromatography is greater than ever. In this article, we discuss data-related barriers to accomplishing this goal and how rethinking chromatography data systems can overcome them.
