Sitemap

33. Page Not Found

32. Quentin Duez - GitHub page.

31. Archive Layout with Content

30. Posts by Category

29. Posts by Collection

28. CV

27. CV

26.

25. Markdown

24. Page not in menu

23. Page Archive

22. Portfolio

21. Publications

20. Sitemap

19. Posts by Tags

18. Talk map

17. Talks and presentations

16. Teaching

15. Terms and Privacy Policy

14. Blog posts

13.

12.

11.

10.

9.

8.

7.

6.

5.

4.

3.

2.

1.

5. Future Blog Post

less than 1 minute read

Published: January 01, 2199

This post will show up by default. To disable scheduling of future posts, edit config.yml and set future: false.

4. Blog Post number 4

less than 1 minute read

Published: August 14, 2015

This is a sample blog post. Lorem ipsum I can’t remember the rest of lorem ipsum and don’t have an internet connection right now. Testing testing testing this blog post. Blog posts are cool.

3. Blog Post number 3

less than 1 minute read

Published: August 14, 2014

This is a sample blog post. Lorem ipsum I can’t remember the rest of lorem ipsum and don’t have an internet connection right now. Testing testing testing this blog post. Blog posts are cool.

2. Blog Post number 2

less than 1 minute read

Published: August 14, 2013

This is a sample blog post. Lorem ipsum I can’t remember the rest of lorem ipsum and don’t have an internet connection right now. Testing testing testing this blog post. Blog posts are cool.

1. Blog Post number 1

less than 1 minute read

Published: August 14, 2012

This is a sample blog post. Lorem ipsum I can’t remember the rest of lorem ipsum and don’t have an internet connection right now. Testing testing testing this blog post. Blog posts are cool.

2. Portfolio item number 1

Short description of portfolio item number 1

1. Portfolio item number 2

Short description of portfolio item number 2

31. Correlation between the shape of the ion mobility signals and the stepwise folding process of polylactide ions

Published in Journal of Mass Spectrometry, 2017

In this paper, we analyzed polylactide ions with traveling wave ion mobility and tandem drift tube ion mobility. We observed the coexistence of non-interconverting extended and compact ion populations, suggesting that the polylactide ions are ‘frozen’ in their specific conformation during the desolvation/ionization Electrospray process.

Quentin Duez, Thomas Josse, Vincent Lemaur, Fabien Chirot, Chang Minh Choi, Philippe Dubois, Philippe Dugourd, Jérôme Cornil, Pascal Gerbaux, Julien De Winter. (2017). "Correlation between the shape of the ion mobility signals and the stepwise folding process of polylactide ions." Journal of Mass Spectrometry. 52(3), 133-138.
Download Paper | Download Bibtex

30. Action-FRET of β-cyclodextrin inclusion complexes

Published in New Journal of Chemistry, 2017

Here, we evaluated the feasibility of performing action-FRET on a supramolecular assembly constituted by a chromophore tagged cyclodextrin receptor and a donor chromophore tagged amyloid beta peptide fragment.

Quentin Duez, Geoffrey Knight, Steven Daly, Julien De Winter, Emilie Halin, Luke MacAleese, Rodolphe Antoine, Pascal Gerbaux and Philippe Dugourd. (2017). "Action-FRET of β-cyclodextrin inclusion complexes." New Journal of Chemistry. 41(4), 1806-1812.
Download Paper | Download Bibtex

29. Polymers for Traveling Wave Ion Mobility Spectrometry Calibration

Published in Journal of The American Society for Mass Spectrometry, 2017

We proposed a new calibration based on the use of synthetic polymers for determining collisional cross sections on traveling wave ion mobility spectrometry instruments.

Quentin Duez, Fabien Chirot, Romain Liénard, Thomas Josse, ChangMin Choi, Olivier Coulembier, Philippe Dugourd, Jérôme Cornil, Pascal Gerbaux, Julien De Winter. (2017). "Polymers for Traveling Wave Ion Mobility Spectrometry Calibration." Journal of The American Society for Mass Spectrometry. 28(11), 2483-2491.
Download Paper | Download Bibtex

28. Discrimination of positional isomers by ion mobility mass spectrometry: Application to organic semiconductors

Published in Analytical Methods, 2018

In collaboration with Prof. Cyril Poriel (Université de Rennes, France), we introduced ion mobility-mass spectrometry as a direct method to distringuish positional isomers produced during the synthesis of compounds used in opto-electronics.

Quentin Duez, Maxime Romain, Corentin Tonneaux, Julien De Winter, Vincent Lemaur, Jérôme Cornil, Cyril Poriel, Pascal Gerbaux. (2018). "Discrimination of positional isomers by ion mobility mass spectrometry: Application to organic semiconductors." Analytical Methods. 10(20), 2303-2306.
Download Paper | Download Bibtex

27. Electrospray Ionization of Polypropylene Glycol: Rayleigh-Charged Droplets, Competing Pathways, and Charge State-Dependent Conformations

Published in Analytical Chemistry, 2018

During my scientific stay in the Konermann Lab (University of Western Ontario, Canada), I studied the release of polyether ions from charged droplets with atomistic simulations. We found that gaseous polymer ion can be generated by competing pathways during Electrospray ionization.

Quentin Duez, Haidy Metwally, Lars Konermann. (2018). "Electrospray Ionization of Polypropylene Glycol: Rayleigh-Charged Droplets, Competing Pathways, and Charge State-Dependent Conformations." Analytical Chemistry. 90(16), 9912-9920.
Download Paper | Download Bibtex

26. Chain Ejection Model for Electrospray Ionization of Unfolded Proteins: Evidence from Atomistic Simulations and Ion Mobility Spectrometry

Published in Analytical Chemistry, 2018

During my scientific stay in the Konermann Lab (University of Western Ontario, Canada), I contributed to investigate the release of unfolded protein ions from charged droplet by atomistic simulations.

Haidy Metwally, Quentin Duez, Lars Konermann. (2018). "Chain Ejection Model for Electrospray Ionization of Unfolded Proteins: Evidence from Atomistic Simulations and Ion Mobility Spectrometry." Analytical Chemistry. 90(16), 10069-10077.
Download Paper | Download Bibtex

25. PEPDROID: Development of a Generic DREIDING-Based Force Field for the Assessment of Peptoid Secondary Structures

Published in Advanced Theory and Simulations, 2018

Here, we report on a new DREDING-based force field for the atomistic modelling of peptoids.

Sébastien Hoyas, Vincent Lemaur, Quentin Duez, Fabrice Saintmont, Emilie Halin, Julien De Winter, Pascal Gerbaux, Jérôme Cornil. (2018). "PEPDROID: Development of a Generic DREIDING-Based Force Field for the Assessment of Peptoid Secondary Structures." Advanced Theory and Simulations. 1(12), 1800089.
Download Paper | Download Bibtex

24. Silver ion induced folding of alkylamines observed by ion mobility experiments

Published in International Journal of Mass Spectrometry, 2018

In this publication, we investigated the additional stabilization of longer metal-complexed alkylamines compared to ones with shorter alkyl chains. This publication was awarded the 2019 IJMS Best Student Paper Award.

Quentin Duez, Nick A. Van Huizen, Vincent Lemaur, Julien De Winter, Jérôme Cornil, Peter C. Burgers, Pascal Gerbaux. (2019). "Silver ion induced folding of alkylamines observed by ion mobility experiments." International Journal of Mass Spectrometry. 435, 34-41.
Download Paper | Download Bibtex

23. One Step Further in the Characterization of Synthetic Polymers by Ion Mobility Mass Spectrometry: Evaluating the Contribution of End-groups

Published in Polymers, 2019

Here, we addressed critical flaws in previously published fitting models of collisional cross sections for polymer ions.

Quentin Duez, Romain Liénard, Sébastien Moins, Vincent Lemaur, Olivier Coulembier, Jérôme Cornil, Pascal Gerbaux, Julien De Winter. (2019). " One Step Further in the Characterization of Synthetic Polymers by Ion Mobility Mass Spectrometry: Evaluating the Contribution of End-groups." Polymers. 11(4), 688.
Download Paper | Download Bibtex

22. A New Class of Rigid Multi(azobenzene) Switches Featuring Electronic Decoupling: Unravelling the Isomerization in Individual Photochromes

Published in Journal of American Chemical Society, 2019

In this collaboration with the group of Prof. Paolo Samorì (Université de Strasboug, France), we took advantage of ion mobility spectrometry to separate the metastable photoisomers of novel multiphotochromic compounds.

Agostino Galanti, Jasmin Santoro, Rajesh Mannancherry, Quentin Duez, Valentin Diez-Cabanes, Michal Valásek, Julien De Winter, Jérôme Cornil, Pascal Gerbaux, Marcel Mayor, Paolo Samorì. (2019). " A New Class of Rigid Multi(azobenzene) Switches Featuring Electronic Decoupling: Unravelling the Isomerization in Individual Photochromes." Journal of American Chemical Society. 141(23), 9273-9283.
Download Paper | Download Bibtex

21. Charging and supercharging of proteins for mass spectrometry: Recent insights into the mechanisms of electrospray ionization

Published in Analyst, 2019

This review article discusses recent computational and experimental studies that have shed light on the mechanisms whereby [M + zH]^z+ protein ions are released from charged nanodroplets during Electrospray Ionization.

Lars Konermann, Haidy Metwally, Quentin Duez, Insa Peters. (2019). " Charging and supercharging of proteins for mass spectrometry: Recent insights into the mechanisms of electrospray ionization." Analyst. 144(21), 6157-6171.
Download Paper | Download Bibtex

20. Effects of electrospray mechanisms and structural relaxation on polylactide ion conformations in the gas phase: insights from ion mobility spectrometry and molecular dynamics simulations

Published in Physical Chemistry Chemical Physics, 2020

In this publication, We found that cationized gaseous PLA ions can be formed via various competing pathways during Electrospray Ionization. For a subset of ions, the IMS-MS response appears to be strongly correlated with the ESI release mechanism (CEM vs. CRM). The former favored extended structures, whereas the latter preferentially generated compact conformers.

Quentin Duez, Haidy Metwally, Sébastien Hoyas, Vincent Lemaur, Jérôme Cornil, Julien De Winter, Lars Konermann, Pascal Gerbaux. (2020). " Effects of electrospray mechanisms and structural relaxation on polylactide ion conformations in the gas phase: insights from ion mobility spectrometry and molecular dynamics simulations." Physical Chemistry Chemical Physics. 22(7), 4193-4204.
Download Paper | Download Bibtex

19. Limitations of ion mobility spectrometry-mass spectrometry for the relative quantification of architectural isomeric polymers: A case study

Published in Rapid Communications in Mass Spectrometry, 2020

In this work, we investigated the suitability of ion mobility spectrometry-mass spectrometry (IMS-MS) for the relative quantification of isomeric cyclic and linear polylactides. The results highlight intrinsic limitations when using IMS-MS in the context of relative quantification. Nonetheless, the linear-to-cyclic ratio can be roughly estimated by this method.

Romain Liénard, Quentin Duez, Scott Grayson, Pascal Gerbaux, Olivier Coulembier, Julien De Winter. (2020). " Limitations of ion mobility spectrometry-mass spectrometry for the relative quantification of architectural isomeric polymers: A case study." Rapid Communications in Mass Spectrometry. 34(S2), e8660.
Download Paper | Download Bibtex

18. Efficient Convergent Energy Transfer in a Stereoisomerically Pure Heptanuclear Luminescent Terpyridine-Based Ru(II)–Os(II) Dendrimer

Published in Inorganic Chemistry, 2020

In this collaboration with the group of Prof. Benjamin Elias (Université de Louvain, Belgium), we characterized antenna complexes using ion mobility-mass spectrometry.

Simon Cerfontaine, Quentin Duez, Ludovic Troian-Gautier, Gabriella Barozzino-Consiglio, Frédérique Loiseau, Jérôme Cornil, Julien De Winter, Pascal Gerbaux, Benjamin Elias. (2020). " Efficient Convergent Energy Transfer in a Stereoisomerically Pure Heptanuclear Luminescent Terpyridine-Based Ru(II)–Os(II) Dendrimer." Inorganic Chemistry. 59(19), 14536-14543.
Download Paper | Download Bibtex

17. Assessing the Structural Heterogeneity of Isomeric Homo and Copolymers: an Approach Combining Ion Mobility Mass Spectrometry and Molecular Dynamics Simulations

Published in Journal of the American Society for Mass Spectrometry, 2020

Here, we combined ultra-high performance liquid chromatography (UPLC) and ion mobility-mass spectrometry to characterize isomeric homopolymers and block copolymers. We demonstrated that ion mobility is only able to resolve a subset of ions with precise charge states and chain lengths.

Quentin Duez, Sébastien Moins, Olivier Coulembier, Julien De Winter, Jérôme Cornil, Pascal Gerbaux. (2020). " Assessing the Structural Heterogeneity of Isomeric Homo and Copolymers: an Approach Combining Ion Mobility Mass Spectrometry and Molecular Dynamics Simulations." Journal of the American Society for Mass Spectrometry. 31(11), 2379–2388.
Download Paper | Download Bibtex

16. MLCT Excited-State Behavior of Trinuclear Ruthenium(II) 2,2′-Bipyridine Complexes

Published in Inorganic Chemistry, 2021

In this collaboration with the group of Prof. Benjamin Elias (Université de Louvain, Belgium), we harnessed ion mobility-mass spectrometry to detect and characterize four isomeric trinuclear Ru(II) bipyridine complexes.

Simon Cerfontaine, Ludovic Troian-Gautier, Quentin Duez, Jérôme Cornil, Pascal Gerbaux, Benjamin Elias. (2021). " MLCT Excited-State Behavior of Trinuclear Ruthenium(II) 2,2′-Bipyridine Complexes." Inorganic Chemistry. 60(1), 366-379.
Download Paper | Download Bibtex

15. Mechanistic Studies on the Epoxidation of Alkenes by Macrocyclic Manganese Porphyrin Catalysts (Open Access)

Published in European Journal of Organic Chemsitry, 2022

Here, we investigated alkene epoxidation reactions mediated by two mangangese(III) porphyrin cage complexes. We monitored the formation of isomeric high-valent manganese(V)oxo complexes by ion-mobility mass spectrometry and demonstrated that the position at which the oxo ligand is formed depends on the preferential binding site of the oxidant molecule in solution.

With this publication, we made it to the cover of EJOC ! :)

Xiaofei Chen, Quentin Duez, Guilherme L. Tripodi, Pieter J. Gilissen, Dimitrios Piperoudis, Paul Tinnermans, Johannes A. A. W. Elemans, Jana Roithová, Roeland J. M. Nolte. (2022). " Mechanistic Studies on the Epoxidation of Alkenes by Macrocyclic Manganese Porphyrin Catalysts." European Journal of Organic Chemsitry. 2022(35), e202200280.
Download Paper | Download Bibtex

14. Gas-phase structure of polymer ions: Tying together theoretical approaches and ion mobility spectrometry

Published in Mass Spectrometry Reviews, 2023

In this review article, we reflected on the synergy between IMS-MS and theoretical approaches, including computational chemistry, demonstrating the essential role they play to fully understand/interpret IMS-MS data for polymer ions.

Quentin Duez, Sébastien Hoyas, Thomas Josse, Jérôme Cornil, Pascal Gerbaux, Julien de Winter. (2023). " Gas-phase structure of polymer ions: Tying together theoretical approaches and ion mobility spectrometry." Mass Spectrometry Reviews. 42(4), 1129-1151.
Download Paper | Download Bibtex

13. Kinetics of ligand exchange in solution: a quantitative mass spectrometry approach (Open Access)

Published in Chemical Science, 2023

Here, we investigate the solution equilibria of labile pyridine ligands coordinated in the cavity of macrocyclic porphyrin cage complexes by ESI-MS. Using delayed reactant labeling, we could obtain rate constants and activation parameters for ligand dissociation in solution. With our approach, we gathered mechanistic evidence that are not easily obtained from traditional solution-phase techniques.

Quentin Duez*, Paul Tinnermans, Johannes A. A. W. Elemans, Jana Roithová. (2023). " Kinetics of ligand exchange in solution: a quantitative mass spectrometry approach." Chemical Science. 14(36), 9759–9769.
Download Paper | Download Bibtex

12. Kinetic enantio-recognition of chiral viologen guests by planar-chiral porphyrin cages (Open Access - HOT Article)

Published in Chemical Communications, 2023

In this publication, we used ion mobility-mass spectrometry to quantify the size of substituents grafted onto macrocyclic porphyrin cage compounds. The substituent size correlates well with the threading rates of chiral guests, demonstrating the role of the substituent bulkiness on kinetic enantio-recognition.

Pieter J. Gilisssen, Quentin Duez, Guilherme L. Tripodi, Magda Dekker, Jiangkun Ouyang, Kais Dhbaibi, Nicolas Vanthuyne, Jeanne Crassous, Jana Roithová, Johannes A. A. W. Elemans, Roeland J. M. Nolte. (2023). " Kinetic enantio-recognition of chiral viologen guests by planar-chiral porphyrin cages." Chemical Communications. 59(94), 13974–13977.
Download Paper | Download Bibtex

11. Autocatalysis in Eschenmoser Coupling Reactions (Open Access)

Published in Chemistry - A European Journal, 2024

In this collaborative work with Prof. Jiří Hanusek (University of Pardubice, Czech Republic), we combined the results from ESI-MS and various add-on methods, such as IR spectroscopy, ion mobility, or flow chemistry, to uncover the autocatalytic nature of the Eschenmoser Coupling Reaction.

Quentin Duez*, Lukáš Marek, Jiří Váňa, Jiří Hanusek, Jana Roithová. (2024). " Autocatalysis in Eschenmoser Coupling Reactions." Chemistry - A European Journal. 30(9), e202303619.
Download Paper | Download Bibtex

10. Chemical reservoir computation in a self-organizing reaction network (Open Access)

Published in Nature, 2024

In this work, we demonstrated how the formose reaction can perform several computational tasks, including nonlinear classification tasks in parallel, predicting the dynamics of other complex systems and achieving time-series forecasting. The reservoir outputs were measured by an ion mobility mass spectrometer, highlighting the importance of online analytics for achieving chemical reservoir computation.

Mathieu G. Baltussen, Thijs J. de Jong, Quentin Duez, William E. Robinson, Wilhelm T. S. Huck. (2024). " Chemical reservoir computation in a self-organizing reaction network." Nature. 631(8021), 549-555.
Download Paper | Download Bibtex

9. Quantitative Online Monitoring of an Immobilized Enzymatic Network by Ion Mobility–Mass Spectrometry (Open Access)

Published in Journal of the American Chemical Society, 2024

Here, we report on an interface between a continuous stirred-tank reactor, in which an immobilized enzymatic network made of 12 enzymes is compartmentalized, and an ion mobility–mass spectrometer. The metabolic flux can be continuously and quantitatively monitored by ESI-IMS-MS. The real-time quantitative data were then harnessed to train a model of network kinetics, which proves sufficiently predictive to control the ERN output after a single optimally designed experiment, demonstrating the usefulness of high-throughput and highly informative analytical approaches.

Quentin Duez, Jeroen van de Wiel, Bob van Sluijs, Souvik Ghosh, Mathieu G. Baltussen, Max T. G. M. Derks, Jana Roithová, Wilhelm T. S. Huck. (2024). " Quantitative Online Monitoring of an Immobilized Enzymatic Network by Ion Mobility–Mass Spectrometry." Journal of the American Chemical Society. 146(30), 20778–20787.
Download Paper | Download Bibtex

8. Polystyrene Chain Geometry Probed by Ion Mobility Mass Spectrometry and Molecular Dynamics Simulations

Published in Journal of the American Society for Mass Spectrometry, 2024

Here, we investigated the gas phase structure of polystyrene ions with different end groups to establish how the nature and the rigidity of the monomer unit affect the charge stabilization.

Sarajit Naskar, Andrea Minoia, Quentin Duez, Aidan Izugabe, Julien De Winter, Stephen J. Blanksby, Christopher Barner-Kowollik, Jérôme Cornil, Pascal Gerbaux. (2024). " Polystyrene Chain Geometry Probed by Ion Mobility Mass Spectrometry and Molecular Dynamics Simulations." Journal of the American Society for Mass Spectrometry. 35(10), 2408–2419.
Download Paper | Download Bibtex

7. Ion mobility mass spectrometry coupled with molecular dynamics simulations: in-depth structural analysis of polystyrene-based Au-containing copolymers

Published in Polymer Chemistry, 2025

Here, we investigated the gas phase structure of copolymers containing styrene, stryene alcohol and styrene-PPh2-AuCl moities.

Sarajit Naskar, Aidan Izuagbe, Vincent Lemaur, Quentin Duez, Andrea Minoia, Julien De Winter, Stephen J. Blanksby, Jérôme Cornil, Christopher Barner-Kowollik, and Pascal Gerbaux. (2025). " Ion mobility mass spectrometry coupled with molecular dynamics simulations: in-depth structural analysis of polystyrene-based Au-containing copolymers." Polymer Chemistry. 16(18), 2143–2153.
Download Paper | Download Bibtex

6. Integrating Flow Chemistry With Electrospray Ionization Mass Spectrometry (Open Access)

Published in Chemistry - Methods, 2025

In this review article, I summarized recent developments on the integration between flow chemistry and mass spectrometry to achieve real-time monitoring of reaction mixtures under well-defined conditions.

Quentin Duez*. (2025). " Integrating Flow Chemistry With Electrospray Ionization Mass Spectrometry." Chemistry - Methods. 5(4), e202400036.
Download Paper | Download Bibtex

5. Impact of Post-Translational Succination on Small Ubiquitin-Like Modifier 1 Structure: A Dual Approach Combining Gas Phase and Solution Studies

Published in ACS Pharmacology & Translational Science, 2025

Here, we investigated the impact of post-translational succination on the structure and stability of small ubiquitin-like modifier 1 (SUMO1). Combining solution, gas-phase and modelling studies reveals a complete picture of the changes induced by succination.

Louis Groignet, David Delemme, Quentin Duez, Afaf Fizazi, Jean-Marie Colet, Patrick Brocorens, Mathieu Surin, Pascal Gerbaux, Julien De Winter. (2025). " Impact of Post-Translational Succination on Small Ubiquitin-Like Modifier 1 Structure: A Dual Approach Combining Gas Phase and Solution Studies." ACS Pharmacology & Translational Science. 8 (8), 2683-2693.
Download Paper | Download Bibtex

4. Classifying Host–Guest Topology with Ion Mobility-Mass Spectrometry and Machine Learning

Published in Journal of Physical Chemistry Letters, 2025

In this project, we hypothesized that ML models could be trained based on IMS-MS measurements to classify guests based on their propensity to form inclusion or exclusion complexes with a supramolecular host. By combining CCS measurements with DFT-derived molecular descriptors, we trained a regression model that accurately predicts CCS values. The predicted values naturally separate in two groups, representing the inclusion vs exclusion topologies, and enable to determine a classification boundary of complex topologies.

Quentin Duez*, Charlotte Lefebvre, Jérôme Cornil, Julien De Winter, Pascal Gerbaux. (2025). "Classifying Host–Guest Topology with Ion Mobility-Mass Spectrometry and Machine Learning." Journal of Physical Chemistry Letters. 16(30), 7551-7559.
Download Paper | Download Bibtex

3. Tracking Propagating Perturbations in Chemical Reactions (Open Access)

Published in ChemistryEurope, 2026

Periodic perturbations, such as modulations of reactant concentration, propagate through chemical reactions with distinct phase delays. In this project, we used ESI-MS to monitor the propagation of periodic concentrations perturbations through an organocatalytic reaction in a continuous stirred tank reactor (CSTR). The propagation patterns provide insights on reaction kinetics in solution, especially by comparing reactants bearing electron donating or withdrawing substituents. Although the reaction studied is relatively simple, we plan to extend this approach to much larger reaction networks.

With this publication, we made a cover feature for ChemistryEurope ! :)

Charlotte Lefebvre, Quentin Duez.* (2026). "Tracking Propagating Perturbations in Chemical Reactions." ChemistryEurope. 4 (1), e202500266.
Download Paper | Download Bibtex

2. A recursive enzymatic competition network capable of multitask molecular information processing (Open Access)

Published in Nature Chemistry, 2026

The survival of living systems relies on their ability to process complex physico-chemical information. Here, we introduce a scalable approach to design complex enzymatic reaction networks capable of reservoir computation based on recursive competition of substrates. As for the formose reservoir, Electrospray ionization-mass spectrometry allows for a real-time readout of chemical outputs, which effectively enables to demonstrate the information processing capabilities of this molecular system.

Souvik Ghosh, Mathieu G. Baltussen, Anna C. Knox, Rianne Haije, Quentin Duez, Anastasia T. Tsitsimeli, Man Him Chak, Jonathon E. Beves & Wilhelm T. S. Huck. (2026). "A recursive enzymatic competition network capable of multitask molecular information processing." Nature Chemistry, 18 (2), 302–308. https://doi.org/10.1038/s41557-025-01981-y
Download Paper | Download Bibtex

1. A Zn4L4 cage with guest-programmable stereochemistry

Supramolecular hosts with flexible and controllable shapes offer the prospect of generating new technologies, for example in selective chemical purifications. However, balancing flexibility with the rigidity and fidelity required for successful assembly and guest recognition needed for purification applications remains challenging. Here we report a Zn4L4 tetrahedral cage that interconverts between four diastereomers, driven by binding different guest molecules. The truxene-based cage backbone features inward-pointing methyl groups that enclose guests and differentiate the cavities of otherwise similar diastereomers. Cyclic ion-mobility mass spectrometry (cIMS-MS) provided insights into the structure and dynamics of these diastereomeric host-guest complexes, indicating that the cage can retain its stereochemistry following guest release. We leveraged this “shape-memory” effect to achieve the programmable binding of different guests from a mixture, as controlled by pre-programmed host stereochemistry.

Itai Massad, Anshuman Agarwal, Charlotte Lefebvre, Paula C P Teeuwen, Tanya K Ronson, Pascal Gerbaux, Quentin Duez*, and Jonathan R Nitschke. (2026). "A Zn4L4 cage with guest-programmable stereochemistry." Submitted
Download Paper

18. Évaluation et développement de l’association mobilité ionique / dynamique moléculaire pour l’étude structurale de macro-ions en phase gazeuse : analyse conformationnelle d’ions polymères produits par Electrospray

Published: October 15, 2016

17. Correlation between the shape of the ion mobility signals and the stepwise folding process of polylactide ions

Published: February 08, 2017

16. Correlation between the shape of the ion mobility signals and the stepwise folding process of polylactide ions

Published: March 21, 2017

15. Ion mobility mass spectrometry and molecular dynamics for the structural characterization of polymer ions: Insights of Electrospray Ionization mechanisms

Published: May 07, 2018

14. Ion mobility mass spectrometry and molecular dynamics reveal insights on ESI mechanisms

Published: April 01, 2019

13. From molecules in solution to ions in gas-phase: Modelling the Electrospray Ionization process

Published: April 26, 2019

12. Inside out : Ion mobility for porphyrin cage catalysts

Published: May 13, 2022

11. Mapping chemical reaction networks with mass spectrometry

Published: June 14, 2023

10. Mapping how chemical reaction networks process information with mass spectrometry

Published: September 08, 2023

9. Metal-ligand equilibria in solution: Quantitative insights from isotopic labelling

Published: April 29, 2024

8. [Invited lecture] Mass spectrometry, ion mobility spectrometry and macromolecules : A tutorial lecture

Published: February 11, 2025

7. Mapping chemical reaction networks by integrating ESI-MS and continuous flow chemistry

Published: June 03, 2025

6. Tracking propagating perturbations in chemical reactions

Published: September 09, 2025

5. [Invited lecture] Tracking chemical reactivity with mass spectrometry

Published: October 23, 2025

4. [Invited lecture] Tracking propagating perturbations in chemical reactions

Published: November 07, 2025

3. [Invited lecture] Integrating mass spectrometry and continuous flow chemistry for online reaction monitoring

Published: November 20, 2025

2. [Invited lecture] 60 years of mass spectrometry at the University of Mons

Published: December 04, 2025

1. Organic Chemistry at the University of Mons

Published: March 24, 2026

3. Advanced Mass Spectrometry

Master course, Radboud University, Spectroscopy & Catalysis, 2021

Co-teaching with Prof. Jana Roithová and Dr. Aleksandr Pereverzev

2. Compléments de spectrométrie de masse

Master course, UMONS, Organic Synthesis and Mass Spectrometry Lab, 2024

Co-teaching with Prof. Pascal Gerbaux and Dr. Julien De Winter

1. Méthodes d’analyse de biomolécules

Master course, UMONS, Organic Synthesis and Mass Spectrometry Lab, 2024

Co-teaching with Prof. Pascal Gerbaux and Dr. Julien De Winter