Towards a greener electrosynthesis: pairing machine learning and 3D printing for rapid optimisation of anodic trifluoromethylation

Applying electro-organic synthesis in flow configuration can potentially reduce the pharmaceutical industry\u27s carbon footprint and simplify the reaction scale-up. However, the optimisation of such reactions has remained challenging and resource consuming due to the convoluted interplay between the various input experimental parameters. Herein, we demonstrate the advantage of integrating a machine learning (ML) algorithm within an automated flow microreactor setup to assist in the optimisation of anodic trifluoromethylation. The ML algorithm is able to optimise six reaction parameters concurrently and increase the reaction yield of anodic trifluoromethylation by >270% within two iterations. Further, we discovered that electrode passivation and even higher reaction yields could be achieved by integrating 3D-printed metal electrodes into the microreactor. By coupling multiple analytical tools such as AC voltammetry, kinetic modelling, and gas chromatography, we gained holistic insights into the trifluoromethylation reaction mechanism, including potential sources of Faradaic efficiency and reactant losses. More importantly, we confirmed the multiple electrochemical and non-electrochemical steps involved in this reaction. Our findings highlight the potential of synergistically combining ML-assisted flow systems with advanced analytical tools to rapidly optimise complex electrosynthetic reaction sustainably

Genotypic variants at 2q33 and risk of esophageal squamous cell carcinoma in China: A meta-analysis of genome-wide association studies

10.1093/hmg/dds029Human Molecular Genetics2192132-2141HMGE

Search for new resonances decaying to a WW or ZZ boson and a Higgs boson in the ℓ+ℓ−bbˉ\ell^+ \ell^- b\bar b, ℓνbbˉ\ell \nu b\bar b, and ννˉbbˉ\nu\bar{\nu} b\bar b channels with pppp collisions at s=13\sqrt s = 13 TeV with the ATLAS detector

See paper for full list of authors, 18 pages (plus author list + cover pages: 36 pages total), 13 figures, 1 table. Submitted to PLB. All figures including auxiliary figures are available at https://atlas.web.cern.ch/Atlas/GROUPS/PHYSICS/PAPERS/EXOT-2015-18/International audienceA search is presented for new resonances decaying to a $W$ or $Z$ boson and a Higgs boson in the $\ell^+ \ell^- b\bar b$, $\ell\nu b\bar b$, and $\nu\bar{\nu} b\bar b$ channels in $pp$ collisions at $\sqrt s = 13$ TeV with the ATLAS detector at the Large Hadron Collider using a total integrated luminosity of 3.2 fb$^{-1}$. The search is conducted by looking for a localized excess in the $WH$/$ZH$ invariant or transverse mass distribution. No significant excess is observed, and the results are interpreted in terms of constraints on a simplified model based on a phenomenological Lagrangian of heavy vector triplets