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An automatic end-to-end chemical synthesis development platform powered by large language models.
Nat Commun
November 2024
College of Chemical and Biological Engineering, Zhejiang University, Hangzhou, 310027, China.
The rapid emergence of large language model (LLM) technology presents promising opportunities to facilitate the development of synthetic reactions. In this work, we leveraged the power of GPT-4 to build an LLM-based reaction development framework (LLM-RDF) to handle fundamental tasks involved throughout the chemical synthesis development. LLM-RDF comprises six specialized LLM-based agents, including Literature Scouter, Experiment Designer, Hardware Executor, Spectrum Analyzer, Separation Instructor, and Result Interpreter, which are pre-prompted to accomplish the designated tasks.
View Article and Find Full Text PDFSynthesis of Rapicone Based on Acyl Ketene-Alkyne Cycloaddition.
J Org Chem
December 2024
Department of Chemistry, University of Illinois Chicago, 845 West Taylor Street, Chicago, Illinois 60607, United States.
We report herein a concise route for the total synthesis of rapicone. The key strategy to form the ynone intermediate involves an Fe(III)/TEMPO-catalyzed aerobic oxidation of a 1,3-dihydroisobenzofuran moiety. This ether oxidation for the simultaneous installation of the keto aldehyde allowed the effective formation of the required ynone intermediate.
View Article and Find Full Text PDFAmidation of carboxy groups in TEMPO-oxidized cellulose for improving surface hydrophobization and thermal stability of TEMPO-CNCs.
Carbohydr Polym
January 2025
Department of Biomaterial Sciences, Graduate School of Agricultural and Life Sciences, The University of Tokyo, 1-1-1 Yayoi, Bunkyo-ku, 113-8657 Tokyo, Japan. Electronic address:
Article Synopsis
- - This study focuses on modifying cellulose nanomaterials (CNs) to make them more hydrophobic and thermally stable, which is important for creating strong and transparent epoxy nanocomposites.
- - Researchers explored amidation, a chemical process that alters carboxy groups on fibrous wood pulp, achieving high amidation rates of 88% and 91% and improving efficiency for industrial use.
- - After amidation, the thermal degradation point of the wood pulp increased significantly from 224°C to over 250°C, and the modified pulp was processed into transparent dispersions for further applications.
β-(1 → 4)-Polyglucuronic acids with C2/C3-ketones prepared from regenerated cellulose by catalytic oxidation using solid NaOCl·5HO.
Carbohydr Polym
November 2024
Department of Biomaterial Sciences, Graduate School of Agricultural and Life Sciences, The University of Tokyo, 113-8657 Tokyo, Japan. Electronic address:
Three commercial regenerated cellulose samples were subjected to TEMPO-catalyzed oxidation using solid NaOCl·5HO as the primary oxidant for structural analyses of the oxidized products (TEMPO = 2,2,6,6-tetramethylpiperidine-1-oxyl). The regenerated cellulose/water slurries became transparent solutions after oxidation for 60 min. The yields of the oxidized products were almost 100 % when they were isolated as precipitates in ethanol/water mixtures.
View Article and Find Full Text PDFStructural analyses of supernatant fractions in TEMPO-oxidized pulp/water reaction mixtures separated by centrifugation and dialysis.
Carbohydr Polym
July 2024
Department of Biomaterial Sciences, Graduate School of Agricultural and Life Sciences, The University of Tokyo, 113-8657 Tokyo, Japan. Electronic address:
Side reactions occurring on cellulose during 2,2,6,6-tetramethylpiperidine-1-oxyl radical (TMEPO)-catalyzed oxidation have not been considered to be significant. Then, TEMPO-oxidized hardwood and softwood bleached kraft pulps (HBKP and SBKP) were prepared with an excess NaOCl·5HO. Supernatant fractions (SFs) were obtained in the aqueous reaction mixtures of TEMPO-oxidized pulps by centrifugation and dialysis.
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