Search Results - "Granda, Jarosław"

Organic synthesis in a modular robotic system driven by a chemical programming language by Steiner, Sebastian, Wolf, Jakob, Glatzel, Stefan, Andreou, Anna, Granda, Jarosław M, Keenan, Graham, Hinkley, Trevor, Aragon-Camarasa, Gerardo, Kitson, Philip J, Angelone, Davide, Cronin, Leroy

“…The synthesis of complex organic compounds is largely a manual process that is often incompletely documented. To address these shortcomings, we developed an…”
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Convergence of multiple synthetic paradigms in a universally programmable chemical synthesis machine by Angelone, Davide, Hammer, Alexander J. S., Rohrbach, Simon, Krambeck, Stefanie, Granda, Jarosław M., Wolf, Jakob, Zalesskiy, Sergey, Chisholm, Greig, Cronin, Leroy

“…Although the automatic synthesis of molecules has been established, each reaction class uses bespoke hardware. This means that the connection of multi-step…”
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How to explore chemical space using algorithms and automation by Gromski, Piotr S., Henson, Alon B., Granda, Jarosław M., Cronin, Leroy

“…Although extending the reactivity of a given class of molecules is relatively straightforward, the discovery of genuinely new reactivity and the molecules that…”
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Exploration of the Chiral Recognition of Sugar-Based Diindolylmethane Receptors: Anion and Receptor Structures by Granda, Jarosław M., Jurczak, Janusz

“…In this study, we have conducted a systematic investigation of the chiral recognition of carboxylic anions by D‐glucuronic acid/diindolylmethane receptors. We…”
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Synthesis, Structure, and Complexation Properties of a C 3‑Symmetrical Triptycene-Based Anion Receptor: Selectivity for Dihydrogen Phosphate by Granda, Jarosław M, Grabowski, Jakub, Jurczak, Janusz

“…A new anion binding motif based on triptycene core has been synthesized from 2,7,14-trinitrotriptycene. Its well-defined binding pocket allowed for the…”
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Sweet Anion Receptors: Recognition of Chiral Carboxylate Anions by d‑Glucuronic-Acid-Decorated Diindolylmethane by Granda, Jarosław M, Jurczak, Janusz

“…Anion receptors containing glucuronic acid were synthesized, and their anion binding ability studied. Chirality of anionic guests derived from mandelic acid…”
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Artificial Neural Networks for Guest Chirality Classification through Supramolecular Interactions by Granda, Jarosław M., Jurczak, Janusz

“…A novel strategy for classification of guest chirality based on the combination of artificial neural networks and anion‐receptor chemistry is reported. The…”
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Ebselen derivatives inhibit SARS-CoV-2 replication by inhibition of its essential proteins: PLpro and Mpro proteases, and nsp14 guanine N7-methyltransferase by Zmudzinski, Mikolaj, Rut, Wioletta, Olech, Kamila, Granda, Jarosław, Giurg, Mirosław, Burda-Grabowska, Małgorzata, Kaleta, Rafał, Zgarbova, Michala, Kasprzyk, Renata, Zhang, Linlin, Sun, Xinyuanyuan, Lv, Zongyang, Nayak, Digant, Kesik-Brodacka, Malgorzata, Olsen, Shaun K., Weber, Jan, Hilgenfeld, Rolf, Jemielity, Jacek, Drag, Marcin

“…Proteases encoded by SARS-CoV-2 constitute a promising target for new therapies against COVID-19. SARS-CoV-2 main protease (M pro , 3CL pro ) and papain-like…”
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Discovering New Chemistry with an Autonomous Robotic Platform Driven by a Reactivity-Seeking Neural Network by Caramelli, Dario, Granda, Jarosław M, Mehr, S. Hessam M, Cambié, Dario, Henson, Alon B, Cronin, Leroy

“…We present a robotic chemical discovery system capable of navigating a chemical space based on a learned general association between molecular structures and…”
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Bispyrrolylbenzene Anion Receptor: From Supramolecular Switch to Molecular Logic Gate by Granda, Jarosław M., Staszewska-Krajewska, Olga, Jurczak, Janusz

“…We have designed anion receptor 4 based on a conformationally labile bispyrrolylbenzene framework, the conformation of which can be changed by appropriate…”
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Synthesis, Structure, and Complexation Properties of a C3-Symmetrical Triptycene-Based Anion Receptor: Selectivity for Dihydrogen Phosphate by Granda, Jarosław M, Grabowski, Jakub, Jurczak, Janusz

“…A new anion binding motif based on triptycene core has been synthesized from 2,7,14-trinitrotriptycene. Its well-defined binding pocket allowed for the…”
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Influence of the size and geometry of the anion binding pocket of sugar–urea anion receptors on chiral recognition by Hamankiewicz, Paulina, Granda, Jarosław M., Jurczak, Janusz

“…Three new chiral urea-type anion receptors were synthesized from aromatic diamines and 1-amino-1-deoxyglucose. The anion binding properties of these receptors…”
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Controlling an organic synthesis robot with machine learning to search for new reactivity by Granda, Jarosław M., Donina, Liva, Dragone, Vincenza, Long, De-Liang, Cronin, Leroy

“…The discovery of chemical reactions is an inherently unpredictable and time-consuming process 1 . An attractive alternative is to predict reactivity, although…”
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Electron density-based GPT for optimization and suggestion of host-guest binders by Parrilla-Gutiérrez, Juan M, Granda, Jarosław M, Ayme, Jean-François, Bajczyk, Michał D, Wilbraham, Liam, Cronin, Leroy

“…Here we present a machine learning model trained on electron density for the production of host-guest binders. These are read out as simplified molecular-input…”
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An autonomous organic reaction search engine for chemical reactivity by Dragone, Vincenza, Sans, Victor, Henson, Alon B., Granda, Jaroslaw M., Cronin, Leroy

“…The exploration of chemical space for new reactivity, reactions and molecules is limited by the need for separate work-up-separation steps searching for…”
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Author Correction: Controlling an organic synthesis robot with machine learning to search for new reactivity by Granda, Jarosław M., Donina, Liva, Dragone, Vincenza, Long, De-Liang, Cronin, Leroy

“…Change history: Owing to the misidentification of compound 22 in the original Letter, changes have been made to Fig. 5, Extended Data Fig. 2 and the main text;…”
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Publisher Correction: Controlling an organic synthesis robot with machine learning to search for new reactivity by Granda, Jarosław M., Donina, Liva, Dragone, Vincenza, Long, De-Liang, Cronin, Leroy

“…The chemical structure formatting in Fig. 5 has been corrected online…”
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Frontispiece: Artificial Neural Networks for Guest Chirality Classification through Supramolecular Interactions by Granda, Jarosław M., Jurczak, Janusz

“…Chirality Recognition 1H NMR chemical shift changes in a receptor that forms supramolecular complexes with anionic guests can be successfully used to determine…”
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Frontispiece: Bispyrrolylbenzene Anion Receptor: From Supramolecular Switch to Molecular Logic Gate by Granda, Jarosław M., Staszewska-Krajewska, Olga, Jurczak, Janusz

“…Switchable Anion Receptor The conformation of bispyrrolylbenzene anion receptor can be controlled by a proper anionic stimuli. Addition of fluoride anion…”
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Ebselen derivatives inhibit SARS-CoV-2 replication by inhibition of its essential proteins: PL pro and M pro proteases, and nsp14 guanine N7-methyltransferase by Zmudzinski, Mikolaj, Rut, Wioletta, Olech, Kamila, Granda, Jarosław, Giurg, Mirosław, Burda-Grabowska, Małgorzata, Kaleta, Rafał, Zgarbova, Michala, Kasprzyk, Renata, Zhang, Linlin, Sun, Xinyuanyuan, Lv, Zongyang, Nayak, Digant, Kesik-Brodacka, Malgorzata, Olsen, Shaun K, Weber, Jan, Hilgenfeld, Rolf, Jemielity, Jacek, Drag, Marcin

“…Proteases encoded by SARS-CoV-2 constitute a promising target for new therapies against COVID-19. SARS-CoV-2 main protease (M , 3CL ) and papain-like protease…”
Get full text