Sylvain Antoniotti

This review explores the integration of machine learning (ML) in the analysis of mass spectrometry data obtained by electronic impact after gas chromatography (GC–MS), with a focus on applications for the fragrance and flavour (FF) industry. It highlights recent advances in ML‐driven approaches to enhance the interpretation of complex GC–MS datasets, improving efficiency in ingredient identification, classification, and quality control. Furthermore, the paper discusses various ML techniques, including supervised and unsupervised learning, and also addresses challenges such as data scarcity and intellectual property concerns.

In this perspective, we discuss how the United Nations Sustainable Development Goals can provide a global framework of thinking for a sustainable fragrance industry.

Galbanum ( Ferula galbaniflua Boiss.) is a valuable fragrance ingredient used in fine perfumery for its green, woody, balsamic, bell pepper, and foliage notes. The objective of the study was to identify and quantify the main compounds of this resinoid extract to gain a better knowledge of its chemical composition to support further ecotoxicology studies. For this purpose, the volatile fraction (VF) was first separated from the non‐VF (NVF) by distillation under reduced pressure. The VF was then characterized by gas chromatography coupled with mass spectrometry (GC‐MS) and by GC with a flame ionization detector (GC‐FID). β‐Pinene was identified as the main compound of the fraction (25.0%) ahead of bulnesol (7.2%) and guaiol (6.9%). NVF was studied by high‐performance liquid chromatography (HPLC). Major compounds were first targeted by HPLC coupled with MS (HPLC‐MS), evaporative light scattering detector (HPLC‐ELSD), and diode array detector (HPLC‐DAD). It was then purified by semi‐preparative HPLC in order to isolate and identify the main components by one and two‐dimensional nuclear magnetic resonance. Finally, they were quantified in the NVF and in the galbanum resinoid extract by external calibration. NVF was largely composed of sesquiterpene coumarin derivatives with galbanic acid (20.08 ± 0.13 mg/g), farnesiferol A (10.95 ± 0.02 mg/g), gummosin (5.50 ± 0.12 mg/g), and feselol (2.31 ± 0.02 mg/g) as the main compounds.

With peculiar structural features at the surface of small metal nanoparticles, some discrete sites can display catalytic behaviour similar to what could be observed with mononuclear metal catalysts in solution. We have studied the transfer of two catalytic tandem reactions from homogeneous to heterogeneous conditions. Tandem cyclisation/reduction of ortho-alkynyl benzaldehyde derivatives was successfully achieved with Au nanoparticles over TiO₂ (Au NPs/TiO₂) in the presence of Hantzsch ester with 45-98% yields for 15 examples (average yield: 70.4%). Similarly, tandem cyclisation/hydroalkoxylation of ortho-alkynyl benzaldehyde derivatives was successfully achieved with Au NPs/TiO₂ in methanol or other alcohols with 62-96% yields for 17 examples (average yield: 84.9%). The application potential of this catalytic system was demonstrated with the total synthesis of a bioactive isochromene derivative featuring one of the developed reactions as the key step and the implementation of the tandem cyclisation/hydroalkoxylation in a continuous flow reactor, scaling up the reaction by a factor of 10 without loss of efficiency.

Christophe Laudamiel, maitre parfumeur, fait l’acquisition en 2020 d’un mystérieux flacon de parfum Lubin trouvé quelques années auparavant dans l’épave d’un bateau. Refusant de céder à plusieurs tentatives d’ouverture, ce dernier termine au laboratoire de chimie de Sylvain Antoniotti à l’Institut de Chimie de Nice. C’est le début d’une enquête sur l’extraordinaire histoire d’un flacon de parfum.

The chemical composition of the volatile fraction of Ocimum gratissimum concrete (romba) from Madagascar has been determined for the first time by GC/MS and GC‐FID. A methyl cinnamate chemotype has been determined for this material, along with a set of compounds typical in essential oils and extracts from plants of the Ocimum genus. Variability was mostly observed on terpenes and terpenoids components. GC‐O‐MS was also used for a sensory evaluation of this material performed by a master perfumer. The chemical composition of this O. gratissimum extract was then compared with literature data to assess subtle differences between chemotypes of the same species and other species of the same genus within natural variability. A mapping illustrates the occurrence of the cinnamate chemotype in Eastern Africa, India and now Madagascar, while other origins generally present eugenol, thymol, camphor, or linalool chemotypes.