Kurt Püntener
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View article: Swarm Intelligence for Chemical Reaction Optimisation
Swarm Intelligence for Chemical Reaction Optimisation Open
Chemical reaction optimisation is essential for synthetic chemistry and pharmaceutical development, demanding the extensive exploration of many reaction parameters to achieve efficient and sustainable processes. We report $α$-PSO, a novel …
View article: Highly parallel optimisation of chemical reactions through automation and machine intelligence
Highly parallel optimisation of chemical reactions through automation and machine intelligence Open
We report the development and application of a scalable machine learning (ML) framework (Minerva) for highly parallel multi-objective reaction optimisation with automated high-throughput experimentation (HTE). Minerva demonstrates robust p…
View article: Towards the enzymatic labelling of oligonucleotides with triantennary N-acetyl galactosamine
Towards the enzymatic labelling of oligonucleotides with triantennary N-acetyl galactosamine Open
The inclusion of chemical modifications into oligonucleotides stabilizes their backbones against nuclease mediated degradation and improves their biological activity. Even though cellular, tissue, and organ specific delivery remains a chal…
View article: Reactivity and Mechanism of Recoverable Pd<sub>1</sub>@C<sub>3</sub>N<sub>4</sub> Single-Atom Catalyst in Buchwald–Hartwig Aminations
Reactivity and Mechanism of Recoverable Pd<sub>1</sub>@C<sub>3</sub>N<sub>4</sub> Single-Atom Catalyst in Buchwald–Hartwig Aminations Open
Buchwald-Hartwig (BH) aminations are crucial for synthesizing arylamine motifs in numerous bioactive molecules and fine chemicals. While homogeneous palladium complexes can be effective catalysts, their high costs and environmental impact …
View article: Highly Parallel Optimisation of Nickel-Catalysed Suzuki Reactions through Automation and Machine Intelligence
Highly Parallel Optimisation of Nickel-Catalysed Suzuki Reactions through Automation and Machine Intelligence Open
We report the development and application of a scalable machine learning optimisation framework for batched multi-objective reaction optimisation. Through experimental data-derived benchmarks, we demonstrate our approach’s capacity to effi…
View article: Template-dependent DNA ligation for the synthesis of modified oligonucleotides
Template-dependent DNA ligation for the synthesis of modified oligonucleotides Open
View article: Template-dependent DNA ligation for the synthesis of modified oligonucleotides
Template-dependent DNA ligation for the synthesis of modified oligonucleotides Open
Chemical modification of DNA is a common strategy to improve the properties of oligonucleotides, particularly for therapeutics and nanotechnology. Existing synthetic methods essentially rely on phosphoramidite chemistry or the polymerizati…
View article: Template-dependent DNA ligation for the synthesis of modified oligonucleotides
Template-dependent DNA ligation for the synthesis of modified oligonucleotides Open
Chemical modification of DNA is a common strategy to improve the properties of oligonucleotides, particularly in the context of therapeutics and nanotechnology. Existing synthetic methods essentially rely on phosphoramidite chemistry or th…
View article: Leveraging flow chemistry for the synthesis of trisubstituted isoxazoles
Leveraging flow chemistry for the synthesis of trisubstituted isoxazoles Open
The synthesis of trisubstituted isoxazoles generally requires multiple individual chemical steps, making them amenable to improvements in efficiency by telescoping as a multistep flow process. Three steps (oximation, chlorination and cyclo…
View article: Artificial nucleotide codons for enzymatic DNA synthesis
Artificial nucleotide codons for enzymatic DNA synthesis Open
Herein, we report the high yielding solid-phase synthesis of unmodified and chemically modified trinucleotide triphosphates (dN3TPs). These synthetic codons can be used for enzymatic DNA synthesis provided their scaffold is stabilized with…
View article: CCDC 2265761: Experimental Crystal Structure Determination
CCDC 2265761: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2265762: Experimental Crystal Structure Determination
CCDC 2265762: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Cross-coupling by a noncanonical mechanism involving the addition of aryl halide to Cu(II)
Cross-coupling by a noncanonical mechanism involving the addition of aryl halide to Cu(II) Open
Copper complexes are widely used in the synthesis of fine chemicals and materials to catalyze couplings of heteroatom nucleophiles with aryl halides. We show that cross-couplings catalyzed by some of the most active catalysts occur by a me…
View article: Rediscovering Cyanogen Gas for Organic Synthesis: Formation of 2-Cyanothiazole Derivatives
Rediscovering Cyanogen Gas for Organic Synthesis: Formation of 2-Cyanothiazole Derivatives Open
The expeditious synthesis of an API building block, 2-cyanothiazole, from cyanogen gas and a readily available dithiane is reported. A previously undisclosed partially saturated intermediate is formed, which can be further functionalized a…
View article: Towards the controlled enzymatic synthesis of LNA containing oligonucleotides
Towards the controlled enzymatic synthesis of LNA containing oligonucleotides Open
Enzymatic, de novo XNA synthesis represents an alternative method for the production of long oligonucleotides containing chemical modifications at distinct locations. While such an approach is currently developed for DNA, controlled enzyma…
View article: Towards the controlled enzymatic synthesis of LNA containing oligonucleotides
Towards the controlled enzymatic synthesis of LNA containing oligonucleotides Open
Enzymatic, de novo XNA synthesis represents an alternative method for the production of long oligonucleotides containing chemical modifications at distinct locations. While such an approach is currently developed for DNA, controlled enzyma…
View article: How Can Academia Help Industry Reduce the Footprint of Chemicals Manufacture?
How Can Academia Help Industry Reduce the Footprint of Chemicals Manufacture? Open
Industrial representatives from the Swiss chemistry ecosystem met to formulate unmet needs in the field of sustainability and share the content of the exchange. The aim is to spark inspiration and trigger ambitious and pre-competitive proj…
View article: Data-Driven Multi-Objective Optimization Tactics for Catalytic Asymmetric Reactions Using Bisphosphine Ligands
Data-Driven Multi-Objective Optimization Tactics for Catalytic Asymmetric Reactions Using Bisphosphine Ligands Open
Optimization of the catalyst structure to simultaneously improve multiple reaction objectives (e.g., yield, enantioselectivity, and regioselectivity) remains a formidable challenge. Herein, we describe a machine learning workflow for the m…
View article: Data-driven multi-objective optimization tactics for catalytic asymmetric reactions
Data-driven multi-objective optimization tactics for catalytic asymmetric reactions Open
Optimization of catalyst structure to simultaneously improve multiple reaction objectives (e.g., yield, enantio-, and regioselectivity) remains a formidable challenge. Herein, we describe a machine learning workflow for the multi-objective…
View article: Evaluation of 3′-phosphate as a transient protecting group for controlled enzymatic synthesis of DNA and XNA oligonucleotides
Evaluation of 3′-phosphate as a transient protecting group for controlled enzymatic synthesis of DNA and XNA oligonucleotides Open
View article: Heterogeneous Metal-Organic Framework Catalysts for Suzuki-Miyaura Cross Coupling in the Pharma Industry
Heterogeneous Metal-Organic Framework Catalysts for Suzuki-Miyaura Cross Coupling in the Pharma Industry Open
The synthesis of drug substances (DS) requires the continuous effort of the pharma industry to ensure high sustainability standards. Suzuki Miyaura cross coupling is a fundamental C-C bond-forming reaction to produce complex DS intermediat…
View article: Catalytic Static Mixer-Enabled Hydrogenation of a Key Fenebrutinib Intermediate: Real-time Analysis for a Stable and Scalable Process
Catalytic Static Mixer-Enabled Hydrogenation of a Key Fenebrutinib Intermediate: Real-time Analysis for a Stable and Scalable Process Open
Catalytic static mixer (CSM) technology is presented as an industrially-viable solution for an aromatic nitro group reduction in the synthesis of fenebrutinib. Factors effecting catalyst inhibition could be rapidly understood and mitigated…
View article: Catalytic Static Mixer-Enabled Hydrogenation of a Key Fenebrutinib Intermediate: Real-time Analysis for a Stable and Scalable Process
Catalytic Static Mixer-Enabled Hydrogenation of a Key Fenebrutinib Intermediate: Real-time Analysis for a Stable and Scalable Process Open
Catalytic static mixer (CSM) technology is presented as an industrially-viable solution for an aromatic nitro group reduction in the synthesis of fenebrutinib. Factors effecting catalyst inhibition could be rapidly understood and mitigated…