Benjamin LARGE’s Post

I’m thrilled to announce that some of research work from my PhD studies has been published (it has been a minute!) 🎉🎉🎉 The research deals with Dithiadiazolyls (DTDA) compounds, a class of sulfur-nitrogen heterocycles, where the core unit consists of a five-membered ring containing one carbon, two sulfur atoms and two nitrogen atoms. These compounds have attracted interest in materials science due to their unique electronic and magnetic properties. The interesting part? There are no metals in these compounds, so they might be cheaper and greener alternatives to existing products by forming organic magnets and/or conducting materials. This particular publication deals with one interesting DTDA molecule, namely (4-(2′,3′,5′,6′-tetrafluoro-4′-nitrophenyl)-1,2,3,5-dithiadiazolyl, which I (together with my co-authors) synthesized and analyzed with various analytical instruments and computational analysis techniques. Our efforts yielded some interesting results that help to explain some of its properties. Not going to lie, I do miss the wet lab sometimes! Maybe one day I'll come across a patent filed for this technology 😁 #PhD #Research #Publication #ProudMoment #Innovation #Science

New animated cover! Have you seen the latest work of Simon Blakey's team on a novel carbon-directed C-H annulation strategy for the synthesis dihydroquinoline heterocycles? I did, and it inspired this cover about making a ring! (the triple bond in gold, the nitrogen atom as a sapphire and the boron complex as a light green gem!) The key innovation in their work is the use of a commercially available single-carbon 'linchpin' reagent that can be easily attached to simple aniline starting materials, installing an alkylboron group. This positioning group then enables a rhodium-catalysed reaction sequence! Highlights: ⏣ Modular synthesis of dihydroquinolines from simple anilines and alkynes ⏣ One-step transformations provide access to other valuable heterocycles ⏣ Mechanistic studies suggest irreversible, non-rate-limiting C-H activation This novel 'one-carbon linchpin' strategy provides a powerful new platform for carbon-directed C-H annulation reactions towards medicinally relevant heterocycles. I look forward to seeing how this chemistry will enable further advances! Co-authors: Michael R. Hollerbach, Eleda Plouch and Samantha Velazquez #sciart ⌬ #research ⌬ #chemistry

🎉Published! Organometallic Chemistry: Volume 45 https://lnkd.in/gREVji7c 👏We are excited to announce that this volume was compiled by a new editorial team: Clare Bakewell, Gareth Owen, Nildo Costa and Rebecca Musgrave 🤩 📚The volume provides a comprehensive overview of emerging themes and key developments in the field. The reviews in this volume reflect current interests and range in scope from the application of heterobimetallic complexes in catalysis, to progress in dinitrogen functionalisation, the role of Lewis acids in Ni-catalysis, hydrogenation of CO2, and the photo-induced activity of main group metals and metalloids. It also includes computational strategies for modelling excited states in organometallic chemistry. 🚀A key reference for researchers in academic and industrial settings.

Have a look at my latest animated cover design inspired by Max von Delius's team's research on chiral nanohoops as asymmetric organocatalysts! This study explores the integration of a BINOL-derived phosphoric acid into a cycloparaphenylene (CPP) nanohoop scaffold, creating a unique confined reaction environment for asymmetric catalysis. In this paper, they have made significant strides in enhancing the efficiency and selectivity of chemical transformations using this novel approach. Key highlights from the article: ⏣ A chiral nanohoop catalyst was synthesized, achieving remarkable catalytic activity with near-quantitative yields and enantioselectivities up to 96% ee in asymmetric transfer hydrogenation of quinolines. ⏣ The nanohoop catalyst demonstrated superior performance compared to non-cyclic reference catalysts, showcasing the potential of confined reaction spaces in organocatalysis. ⏣ Unexpected substrate selectivity was observed, with the catalyst showing high activity for aromatic substrates but low reactivity towards alkyl-substituted quinolines, indicating specific non-covalent effects within the nanohoop cavity. This is the way toward new designs of structurally complex organocatalysts with enhanced selectivity. I am already excited to see how this work will influence future developments in asymmetric organocatalysis and supramolecular chemistry! Co-authors: Adriana Sacristan Martinín, Fabian Schwer, Thomas Pick, Anika Lebzelter and Alexander Pöthig Ulm University ⌬ Technical University of Munich #sciart ⌬ #research ⌬ #chemistry

I am happy to announce that our recent paper, "Enzymes on chemical gardens: Chemobrionics-based electrochemical biosensor" is now available online. The key highlight of this work is to investigate the potential usage of Chemobrionics (CBC) with functional organic groups as an immobilization matrix for biomolecules and examine their electrochemical behavior in biosensor applications for the first time in the literature. Special thanks to Prof. Dr. Dilek Odaci for this comprehensive research article. Please check out the paper if you are interested. 👇 👇 👇 https://lnkd.in/dTxjFAqT #Chemobrionics #self-organization #biomimetic, #biosensor, #immobilization

I am pleased to present our research published in the 'Journal of Photochemistry and Photobiology A: Chemistry'. We have investigated the impact of regioisomers on differential aggregation-induced emission behavior and selective copper ion sensing in both solid and solution phases. The study highlights the compound's versatility and potential for multipurpose applications, including bioimaging and real sample analysis. Here is the link to access the article: https://lnkd.in/eTT9TM9X

In our latest paper, my coauthors and I tackle an interesting design problem in the field of flow biocatalysis. We study the design of tubular flow reactors packed with porous particles. Enzymes can be immobilized in the pores of porous particles with different distributions, and the porous particles can be arranged in reactor zones with different designs. We developed a 1D plug-flow model for the system that is detailed enough to take into account the reaction-diffusion phenomena within the porous particles. We compared the most basic designs via analytical solution of the model equations. Finally, we proved that separating catalytic particles in different zones is better than mixing them in one zone for any monotonically increasing reaction rate model. Read more about our work using the following link or by getting a copy of the next Chemie Ingenieur Technik issue.

🎉 Excited to share that my first-author paper has been published in the Journal of Physical Chemistry A (JPCA)! 📝 Title: Tracking Thermo-Oxidation Reaction Products and Pathways of Modified Lignin Structures from Reactive Molecular Dynamics Simulations This research explores the reaction pathways of modified lignin under thermo-oxidation, aiming to find greener alternatives for antioxidants in lubricants. Using reactive molecular dynamics simulations, we’ve uncovered some fascinating insights into these processes. A big thank you to my PI and collaborators for their support and guidance throughout this journey. Interested in the details? Check out the full paper here. https://lnkd.in/gYTkbQXv #Science #Chemistry #Research #Lignin #Antioxidants #Sustainability #JPCA #ReactiveMD #ThermoOxidation

Looking for something (not excessively long) to read? We just published a review on the molecular design of protein-based materials, link below 👇

It is a delight that our work on n-type molecular thermoelectrics, an invited contribution, has been published in ADVANCED MATERIALS TECHNOLOGIES with open access. https://lnkd.in/gq-__WWj π-conjugated small molecules are typically simpler to purify and crystallize, and their synthesis offers good batch-to-batch reproducibility. However, the development of conjugated molecules (especially in the field of thermoelectrics) has received less attention compared to other types of thermoelectric materials (e.g., conjugated polymers). In particular, n-doped π-conjugated small molecules generally suffer from quite limited conductivities.   In this paper, n-doping of two functionalized (carbonyl vs. dicyanovinylene) indenofluorene-based conjugated small molecules TIFDKT USTA and TIFDMT USTA was investigated. Remarkably, TIFDMT with a much lower LUMO energy, can be efficiently n-doped to a respectable electrical conductivity. Moreover, n-doping of TIFDMT leads to more favorable packing and shorter π-π stacking distances, resulting in efficient charge transport in the doped state. Congratulations and many thanks to Hakan Usta, Jerome Cornil, Wojciech Pisula, Yuanyuan Hu, and all the other coauthors for their efforts and contributions. We appreciate the editors of ADVANCED MATERIALS TECHNOLOGIES for the invitation. Finally, I would like to acknowledge Agence Nationale de la Recherche (ANR-23-CPJ1-0047-01) and Université du Littoral Côte d'Opale (ULCO) for financial support.