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The Multidimensional Chromatography (MDC) Workshop
The Multidimensional Chromatography (MDC) Workshop
The Multidimensional Chromatography (MDC) Workshop draws experts in this exciting field to share and discuss their research.
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16th MDCW 2025 (Day 1)

Tu, 4.2.2025
| Original article from: 16th Multidimensional Chromatography Workshop (MDCW)
On the first day of MDCW 2025 we saw 10 scientific presentations, 10 flash talks, a poster session and a guided discussion.
<p>MDCW: 16th MDCW 2025 - Short Course (Day 1)</p>

MDCW: 16th MDCW 2025 - Short Course (Day 1)

Program MONDAY February 3, 2025

8:00 - 8:30 AM Registration
8:30 - 9:00 AM - Introducing Supercritical Fluid Chromatography in the Community of Multidimensional Chromatography
  • Karine Faure (Institut of Analytical Sciences, CNRS Universite Lyon, France)

In recent years, multidimensional liquid chromatography has received increasing attention due to the desire to better resolve non-volatile compounds in complex samples. The selection of chromatographic modes in each dimension is of paramount importance to ensure the orthogonality of the overall 2D separation.

To overcome the limitations encountered in the analysis of non-ionisable molecules, the use of supercritical fluid chromatography (SFC) combined with polar stationary phases is considered as a potential dimension of interest. This contribution reports on the advantages of comprehensive RPLC×SFC separation for the characterisation of valuable bio-wastes (wood lignin, spent ground coffee) and the incorporation of renewable materials into industrial products. Recent advances in modulation interfaces for on-line coupling of LC and SFC are described.

MDCW: Karine Faure - Introducing Supercritical Fluid Chromatography in the Community of Multidimensional Chromatography

9:00 - 9:30 AM - GC×GC-MS - Fragrance Allergens - The Olympic Gold Standard
  • Thomas Dutriez (Givaudan International, Product Safety Science Laboratories CoE, Vernier, Switzerland)

On July 26, 2023, the European Commission (EC) published amendment 2023/15451 to Annex III of the Cosmetic Products Regulation, significantly expanding the number of fragrance allergens from 24 to 57 organic compounds for which presence should be indicated on the product’s label when above the established thresholds for leave-on and rinse off products (0.001 and 0.01%). The labelling of cosmetic products placed on the EU market will therefore be impacted over a period of 3 to 5 years.

While the percentage of consumers developing allergic contact dermatitis remains low, the extended list of 57 fragrance allergens corresponds to typical perfume notes commonly found in fragrance raw materials (more than 99% of natural ingredients contain at least one allergen).

Accurate determination of fragrance allergens levels is a crucial activity for the fragrance industry to comply with legislation and to provide robust data to customers, together with perfumers during the creation step. However, this remains an analytical challenge regarding the quantification of a wide range of different chemical structures (i), across a large concentration range from ppm to high percentage levels (ii), and in complex natural substances potentially containing more than 10’000 different molecules (iii).

The fragrance industry has developed technical recommendations2,3 to address this target quantitation analysis: GC-MS technology, two different stationary phases, SIM/Scan acquisition and a decision tree for data processing. Although the classical GC-MS approach, involving two different devices, can provide sufficient data confidence for simple raw materials, it becomes a daunting task when dealing with natural substances owing to multiple co-elutions with matrix peaks. For instance, for a complex essential oil, up to 16 GC-MS runs may be required to cover the full concentration range of allergens. Advanced MS technologies, such as MS-MS or HR-MS, have been recently proposed but cannot differentiate molecules having the same elemental formula or MS fragments, like terpenes or terpenoids.

Comprehensive two-dimensional gas chromatography (GC×GC-TOFMS) is the technology of choice to fully overcome co-elution issues in natural samples. Dedicated GC×GC conditions have been developed through a patented method4 that helps select the best optimal parameters to maximize the separation between targets and the separation capacity. As a result, a unique normal hybrid configuration (Mid-polar × Polar) has proven to separate all fragrance allergens, even the discrete isomers, in a single run while providing a very high observed peak capacity of 5000. The developed methodology, based on GC×GC-MS for content level up to 3% and calibrated FID data for higher percentages, provides excellent performance: no compromise in separation, very high data confidence for unambiguous identification and quantification, a maximum of three data sets for complex substances and a streamlined semi-automated data process.

With more than 10,000 analyses and a daily use over the past 10 years, this state-of-the-art method is at the heart of a monitoring program for regulated substances, in new or existing ingredients, and for customer questions.

GC×GC-TOFMS has become the gold standard for quantifying fragrance allergens due to its unsurpassed performance and user-friendly technology.

MDCW: Thomas Dutriez - GC×GC-MS - Fragrance Allergens - The Olympic Gold Standard

9:30 - 9:50 AM - Development of a multiple heart-cut SFC-SFC setup
  • Clément De Saint Jores
9:50 - 10:10 AM - Toward unrivaled chromatographic resolving power in proteomics: Design and development of comprehensive spatial three-dimensional liquid-phase separation technology
  • Sebastiaan Eeltink
10:10 - 10:40 AM Coffee Break and poster session
MDCW: Coffee Break and Poster session
10:40 - 11:00 AM - Enhanced chiral screening of complex samples via aqueous achiral × chiral comprehensive liquid chromatography
  • Frederic lynen 
11:00 - 11:20 AM - Application of 2D-LC to the analysis of chiral and other isomeric molecules in biosciences
  • Michael Laemmerhofer

GOLD SPONSORS 2025

MDCW: MDCW 2025 Gold Sponsors.

11:20 - 11:40 AM - One-step-microwave-assisted extraction and derivatization followed by comprehensive two-dimensional chromatography coupled with flame ionization detector to analyze fatty acid methyl esters (FAMEs) in complex food matrices.
  • Donatella Ferrara
11:40 - 12:00 AM - Profiling phenolic compounds in shea by comprehensive two-dimensional liquid chromatography hyphenated to ion mobility spectrometry and high-resolution mass spectrometry
  • Nikoline J. Nielsen 
12:00 - 12:20 PM - Investigating the impact of packaging on oat volatiles using GC×GC–TOF MS
  • Steve Smith (SepSolve Analytical, United Kingdom)

Investigating the migration of volatiles from food packaging is essential for ensuring the safety, quality, and sensory integrity of food products.. Packaging materials can release volatiles that may migrate into the food over time, significantly affecting the sensory characteristics of food, altering its taste, aroma, and overall consumer appeal. Understanding the extent and mechanisms of this migration is vital not only for meeting stringent food safety regulations but also for developing packaging solutions that minimise these interactions.

However, the study of volatiles in complex food matrices requires advanced analytical techniques due to the low concentrations and diverse nature of the compounds. Traditional methods, such as SPME–GC–MS, often lack the sensitivity and resolution needed to fully characterise the volatile composition.

Here, we employ headspace sorptive extraction and GC×GC-TOF MS to investigate the volatile profiles of oats. The high-capacity probes enable efficient extraction and pre-concentration of a wide range of trace-level volatiles, while GC×GC-TOF MS provides exceptional separation and identification capabilities. This powerful combination allows for a detailed investigation of the volatile profile of foods and the potential impact of packaging materials on these profiles.

We apply this approach to analyse volatiles from six brands of packaged oats. Using sophisticated chemometrics workflows, we identify key differentiators among the packaging materials—cardboard, paper, and plastic—and analyse the volatiles emitted from these sources to confirm and understand migration patterns.

MDCW: Steve Smith - Investigating the impact of packaging on oat volatiles using GC×GC–TOF MS

12:20 - 12:40 PM - Non-targeted analysis of PFAS using two dimensional gas chromatography
  • Christopher Freye 
12:40 - 1:30 PM Lunch
1:30 - 1:40 PM - The LabRulez portals – a unique source of information not only in the field of GC×GC and 2DLC
  • Ivo Novotný
1:40 - 1:50 PM - Coupling of VAC-HS-SPME and GC×GC-QMS for simultaneous 5-HMF quantification and volatile profiling in honey
  • Damien Eggermont
1:50 - 2:00 PM - MOSH&MOAH in food ingredients and additives, and the advantages of using LC/GC×GC(-FID/TOFMS) for their analysis
  • Aleksandra Gorska

Mineral oil saturated hydrocarbons (MOSH) and mineral oil aromatic hydrocarbons (MOAH) are contaminants of increasing concern for the food industry due to their widespread occurrence and uncertain toxicity. The ISO 20122:2024 is currently the only official method for their analysis, and it has only been validated on several vegetable oils. The workflow consists of extensive sample preparation followed by LC-GC-FID analysis. However, many challenges remain with this analysis. Accurate quantification is often difficult, particularly when biogenic substances coelute with MOSH or MOAH unresolved complex mixtures (UCMs). In these cases, chromatogram integration is largely based on the operator's interpretation.

Switching to LC-GC×GC-FID has proven to be a useful approach to reduce the uncertainty associated with interpretation. The second GC dimension helps differentiate biogenic compounds from MOSH and MOAH. Adding mass spectrometry (MS) detection further enhances the ability to distinguish coeluting substances. These advantages make LC-GC×GC-FID/TOFMS particularly useful for investigating MOSH/MOAH contamination in new matrices, where the present interferences are not yet well understood.

This presentation will illustrate the advantages of LC-GC×GC-FID/TOFMS for analysing MOSH/MOAH in food ingredients and additives, for which limited data is available. Additionally, it will show how the LC step preceding GC analysis, which initially serves to separate MOSH from MOAH and retain more polar compounds, can also help reduce or eliminate certain interferences.

MDCW: Aleksandra Gorska - MOSH&MOAH in food ingredients and additives, and the advantages of using LC/GC×GC(-FID/TOFMS) for their analysis

2:00 - 2:10 PM - Automation and challenges in one-and-dimensional liquid chromatography method development: what is optimal?
  • Tijmen S. Bos 
2:10 - 2:20 PM - Forensic olfactronics and human scent signatures created from GC×GC-MS data
  • Stepan Urban 
2:20 - 2:30 PM - Development and testing of a non-contact scent collection device on real human scent
  • Oleksii Kaminskyi
2:30 - 2:40 PM - Towards a better understanding of the body volatolome: focus on endogenous parameters influencing body volatolome composition
  • Elsa Boudard
2:40 - 2:50 PM - Method optimization of fingermark residue using comprehensive two-dimensional gas chromatography
  • Emma Macturk (William & Mary, Williamsburg, USA)

Optimization is a crucial step in method development of routine analytical techniques. Fingermark residue, consisting of sweat and oil from sebaceous glands, is a complex biological mixture with fatty acids, fatty alcohols, and steroid hormones. Fingermarks have been analyzed using techniques such as liquid chromatography, capillary electrophoresis, and gas chromatography (GC) all coupled to mass spectrometry. There has been little research however in full, nontargeted characterization of fingermark residue using advanced chromatographic methods such as comprehensive two-dimensional gas chromatography (GC×GC-TOFMS). The goal of this study was to optimize a method for the nontargeted analysis of fingermark residue using GC×GC-TOFMS.

A starting method based on a one-dimensional GC and GC×GC comparison was used to analyze residue samples. Full method optimization included testing five parameters (modulation period, hot pulse time, hold time at oven start, hold time at oven end, and oven ramp rate) with three options each and one parameter (secondary oven offset) with two options. Parameter options were compared to each other as a group and the best option chosen for the optimized method. The optimized method was evaluated as a whole with all optimized parameters. Fingermark deposition, regeneration, and sample preparation were optimized with different extraction processes with the goal of quantitation of analytes. Method optimization using GC×GC fully resolved hidden peaks such as the steroid hormone allopregnane. A fully optimized method will be used in future studies to differentiate between endogenous fingermark compounds and exogenous contamination compounds from the environment.

MDCW: Emma Macturk - Method optimization of fingermark residue using comprehensive two-dimensional gas chromatography

2:50 - 3:00 PM - Sex and person identity recognition from GC×GC analysis of scent samples
  • Jan Hlavsa
3:00 - 3:10 PM - The impact of the menstrual cycle on skin volatile profiles
  • Marion Risse
3:10 - 4:30 PM Coffee Break and Poster session

MDCW: Coffee Break and Poster session

4:30 - 5:30 PM Guided Discussion: Transition to green chemistry, challenges and opportunities for analytical revolution
7:00 PM Conference dinner at the Liège University Aquarium-Muséum

MDCW: 16th Multidimensional Chromatography Workshop (MDCW)

The Multidimensional Chromatography (MDC) Workshop
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