Scientific discoveries are like great stories: they often begin with an encounter. Nearly 20 years ago, Professor Stéphane Vincent of UNamur's Laboratoire de Chimie Bio-Organique, then a young sugar chemist, was in search of something new. During a post-doctorate in Strasbourg, France, in the laboratory of Jean-Marie Lehn, winner of the 1987 Nobel Prize in Chemistry and a specialist in supramolecular chemistry, he befriended another post-doctoral fellow: the Romanian Mihail Barboiu, now a CNRS researcher in Montpellier.

Soon before the Covid-19 pandemic, at a scientific congress, Mihail Barboiu showed Stéphane Vincent the results of his experiments. "He was using DCFs as a kind of transporter, to bring genes (DNA or RNA fragments) into a cell", recalls the chemist. "I then realized that DCFs were positively-charged molecules and readily adapted to DNA, which is negatively-charged. This gave me the idea of using them against bacteria, in the same way as certain antibiotics, which are also positively charged."

The two researchers then established an initial research project, with a thesis funded in cotutelle by UNamur, which culminated in 2021 in the publication of the first results showing the antibacterial activity of DCFs. "At the time, I was already working on antibacterial approaches, particularly against Pseudomonas aeruginosa, a major pathogen that forms biofilms", explains Stéphane Vincent.

To combat antiseptics and antibiotics, bacteria proceed in several ways. In addition to developing mechanisms to block the functioning of antibiotics, they are able to aggregate or dock themselves to a surface, for example that of a medical implant, and cover themselves with a complex tangle of all sorts of molecules. The latter, known as biofilm, protects the bacteria from external aggression. These biofilms are a major public health problem, as they enable bacteria to survive even the most powerful antibiotics and are notably the cause of nosocomial diseases, infections contracted during a stay in a healthcare establishment.

"We have shown that certain DCFs are both capable of inhibiting biofilm production, but also of weakening them, thereby exposing bacteria to their environment", summarizes Stéphane Vincent.

Bolstered by these results and thanks to C2W, a "very competitive"European program that funds post-doctorates, Stéphane Vincent invited Dmytro Strilets, a Ukrainian chemist who had just completed his thesis under the supervision of Mihail Barboiu, to work in his laboratory on DCFs. The project, called TADAM and carried out in collaboration with researchers Tom Coenye of UGent and Charles Van der Henst of the VUB, then focused on the antibacterial and antibiofilm potential of DCFs against Acinetobacter baumannii, a bacterium which, along with Pseudomonas aeruginosa, is on the list of pathogens of greatest concern defined by the World Health Organization (WHO).

The TADAM project is based on an ingenious assembly: DCFs are associated with special molecules known as pillarenes. The latter form a sort of cage around a proven antibiotic molecule, levofloxacin, thus improving its bioavailability and stability. The DCFs then have the role of inhibiting and disintegrating the biofilm, to enable the pillarenes to deliver their antibiotic directly to the bacteria thus exposed.

The results obtained by Stéphane Vincent's team are spectacular: the DCF-pillararene-antibiotic assembly is up to four times more effective than the antibiotic used alone! Noting that little work had yet been done on the antibiotic effect of these new molecules, the researchers decided to protect their invention by filing a joint patent, before going any further.

For everything still remains to be done. Firstly, because despite more than convincing results, how the assembly works is still obscure. "All the study of the mechanism of action has yet to be done, says Stéphane Vincent. "How is the antibiotic arranged in the pillararene cage? Why do DCFs have antibiofilm activity? How do DCFs and pillararenes fit together? All these questions are important, not only to understand our results, but also to eventually develop new generations of molecules."

And on this point, Stéphane Vincent wants to be particularly cautious. "We all dream, of course, of a universal molecule that will work on all pathogens, but we have to be humble, he pauses. "I've been working with biologists for many years, and I know that biological reality is infinitely more complex than our laboratory conditions. But it's because our results are so encouraging that we must persevere down this path."

The chemist already has several leads: "We're going to test the molecules on bacteria"circulating"suspended in a liquid, which behave very differently. And then we're also going to work on clinical isolates of pathogenic bacteria, to get a little closer to the real conditions under which these biofilms form."

Dmytro Strilets has just received a Chargé de Recherche mandate from the FNRS to develop second-generation DCFs and study their mode of action. The TADAM project has received funding from the University of Namur and the European Union's Horizon 2020 research and innovation program under Marie Skłodowska-Curie grant agreement n°101034383.

Your research ranges from fundamental to applied chemistry. Can you explain what you do?

My background is in fundamental chemistry and physics—the study of the basic principles that govern matter, from atoms and molecules to the chemical bonds that connect them. During my Ph.D., I focused on developing theoretical concepts and converting them into computer codes, which required a lot of mathematics, rigor, and careful methodology.

I have always been fascinated by physical and theoretical chemistry. Synthetic chemistry in the lab can sometimes be compared to cooking—you follow a recipe and observe the results. My husband is an organic chemist and also the cook in our family; he always tells me to go play the piano while he’s in the kitchen! I’m not allowed anywhere near it. 😊

What truly fascinates me is understanding why things work in a certain way, not just that they work. My group performs computer simulations that allow us to probe reaction mechanisms at the molecular level. These simulations help us explain experimental observations, make quantitative predictions, and even design new molecular systems and materials that can later be tested and refined in the laboratory.

Currently, a large portion of my research focuses on metal–organic frameworks, or MOFs—materials made of metal ions/clusters linked by organic molecules. MOFs are exciting because of their enormous surface areas and highly tunable pore structures, which make them ideal for a wide range of applications. We are particularly interested in using MOFs to address climate change challenges, for example, by capturing carbon dioxide, storing hydrogen, and purifying water. Beyond these, MOFs are also being explored for catalysis, drug delivery, and even as sensors for detecting pollutants and biomolecules.

You're a scientific leader in the field of computational chemistry. How did you come to choose this path?

I grew up in Italy, in a very supportive environment. My mother was a mathematics teacher, and my father was an engineer, so I was surrounded by numbers, logic, and curiosity from an early age. I was always drawn to mathematics, physics, and chemistry, and my parents encouraged me to be ambitious and to pursue excellence in whatever I did. Their support and belief in me gave me the confidence to follow my curiosity wherever it led.

During your education, did you encounter difficulties linked to the fact that you are a woman?

Of course. At that time, society was still very stereotyped and biased. My grandfather, who admired my determination, used to say I would become a high school headmaster—that was already considered quite an achievement for a woman then!  My professors were kind and encouraging, but when they saw my academic performance, they assumed I would become a high school teacher, which was considered the highest position most people could imagine for a woman in science. Nobody would have said “astronaut” or “CEO of a large company”—those roles were thought to be reserved for men. Things turned out differently. By the time I was doing my Ph.D., my parents were proud of me, though I don’t think they expected me to have this kind of career. And I am truly passionate about my job—it never feels routine.

Do you have a message for the young generation?

The most important thing is to find your passion. You will spend a large part of your life working, so you might as well do something you genuinely love. When you love what you do, you naturally find the strength and motivation to persevere.

I like to quote the Italian author Primo Levi, who wrote in the Wrench: “Finding a job you like is the closest approximation to happiness in this world.” As a woman—and even though things have improved—you still have to work very hard to demonstrate your worth. I deeply believe in excellence, and I value it when I see it in others, regardless of gender. Excellence speaks for itself. 

I also believe that family, friends, and mentors are indispensable sources of inspiration. You need role models and supportive figures to help you grow, stay passionate, and strive for excellence. We are fortunate to live in a privileged environment where many opportunities are within reach. 

My advice is to use that privilege to make a difference—by finding your passion and pursuing it wholeheartedly.

Laura Gagliardi is a professor at the University of Chicago, United States of America. 

Picture credit - University of Chicago

After her scholarship in Bologna, Italy, a post-doctoral position in Cambridge, England, she began her independent academic career in Palermo, Italy, then in Geneva, Switzerland. In 2009, she moved to the United States where she was a professor at the University of Minnesota. She remained there until her move to the University of Chicago in 2020. She is the Richard and Kathy Leventhal Professor at the University of Chicago with a joint appointment at the Department of Chemistry and the Pritzker School of Molecular Engineering. 

In addition to her dedication to science, Laura is a strong advocate for women in science, technology, engineering, and mathematics.

Laura Gagliardi was awarded this prestigious Solvay chair in Chemistry for her groundbreaking work on electronic structure methods for complex chemical systems, which highlights her leadership and impact on the world of chemistry.

The first MG-ERC conference, dedicated to advances in inorganic chemistry, coordination chemistry and catalysis, is a first in Europe. Over a hundred researchers from 12 countries and 32 institutions accepted the invitation from Professor Guillaume Berionni, who organized the event with Professor Steven Nolan (Ghent University). The two researchers succeeded in bringing together leading experts working in the fields of heteroatom chemistry, coordination chemistry, catalysis, and inorganic chemistry.

The luminaries from prestigious universities (Oxford, Berlin, Laval, Paris-Saclay...) unanimously praised the scientific excellence and "exemplary" organization of this first edition. Many even described MG-ERC as "one of the best chemistry conferences" they had ever attended.

The event was co-financed by the European Research Council (ERC), ChemistryEurope, the Royal Society of Chemistry, the CGB, the FNRS CHIM Doctoral School, the NISM, as well as several industrial partners (ACS Publications, Analis & Advion Interchim Scientific®, BUCHI, Chemical Synthesis, Magritek). The organizers would like to thank these sponsors for their support in raising the international profile of this first event. They have also made it possible to award prizes for the best oral and poster presentations by young researchers.

This wonderful initiative is the result of a reflection on the integration of quantum chemistry courses at the University of Sfax initiated by Professors Mahmoud TRABELSI (University of Sfax and alumnus of the University of Namur), Besma HAMDI (University of Sfax) and Benoît CHAMPAGNE (University of Namur). The reflection has been matured over the last two decades, during which time several students from Pr. TRABELSI's team have stayed at Pr. CHAMPAGNE's laboratory.

The aim: to add a computational quantum chemistry component to their research into synthetic chemistry, including syntheses from biobased substances.

A PhD student in chemistry at the University of Sfax, Dhouha ABEIRA, is also involved in the project. She is doing an ERASMUS+ internship in Pr. CHAMPAGNE's laboratory to study the optical properties of molecular crystals.

Students were introduced to the calculation of reaction energies and the simulation of UV/visible absorption spectra. These two applications are typical of activities in quantum chemistry, as they are directly linked to the understanding of reaction phenomena and the development of new compounds for molecular optics.

Emphasis has also been placed on certain technical aspects of the calculations in order to train students in the development of computational protocols according to the questions addressed.

The courses were delivered by an inter-university team.

For the Department of Chemistry at the University of Namur:

• Professor Benoît CHAMPAGNE, Director of the Laboratoire de Chimie Théorique (LCT) of the Unité de Chimie Physique Théorique et Structurale (UCPTS);
• Dr. Vincent LIÉGEOIS, for remote IT support and whose suite of programs DrawSuite, a series of applications designed to provide tools for analyzing molecular structures and properties, was much appreciated;
• Frédéric WAUTELET of the Plateforme Technologique de Calcul Intensif (PTCI) for remote computing support and who has prepared a cluster (pleiades) dedicated to training.

For the University of Sfax Chemistry Department:

• The Dr. Mohamed CHELLEGUI, from the organic chemistry laboratory, for preparing practical work;
• Dhouha ABEIRA, PhD student in chemistry, for preparing practical work and assisting students from Sfax.

The teaching teams warmly thank the International Relations teams at the University of Namur and the University of Sfax for their help in setting up and monitoring the ERASMUS+ project.