Publications by authors named "W E Swords"
The Paternò-Büchi reaction is the [2 + 2] photocycloaddition of a carbonyl with an alkene to afford an oxetane. Enantioselective catalysis of this classical photoreaction, however, has proven to be a long-standing challenge. Many of the best-developed strategies for asymmetric photochemistry are not suitable to address this problem because the interaction of carbonyls with Brønsted or Lewis acidic catalysts can alter the electronic structure of their excited state and divert their reactivity toward alternate photoproducts.
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- A deep learning method is developed to predict the emission spectra of phosphorescent Ir(III) complexes, aiding the discovery of novel chromophores for applications like organic light-emitting diodes and solar fuel cells.
- The models use graph neural networks to account for the structural features of the complexes, leading to efficient training and accurate predictions of emission spectra, even with low-quality experimental data.
- This approach not only enhances the accuracy over traditional methods but also facilitates exploring a vast chemical space with limited experimental data, minimizing the need for extensive high-throughput screening efforts.
Photochemical electrocyclization reactions are valued for both their ability to produce structurally complex molecules and their central role in elucidating fundamental mechanistic principles of photochemistry. We present herein a highly enantioselective 6π photoelectrocyclization catalyzed by a chiral Ir(III) photosensitizer. This transformation was successfully realized by engineering a strong hydrogen-bonding interaction between a pyrazole moiety on the catalyst and a basic imidazolyl ketone on the substrate.
View Article and Find Full Text PDFis a Gram-negative emerging opportunistic pathogen often present in people with respiratory diseases such as cystic fibrosis (CF). People with CF (pwCF) experience lifelong polymicrobial infections of the respiratory mucosa. Our prior work showed that promotes persistence of in mouse respiratory infections.
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