Results 171 to 180 of about 5,374,113 (306)

Multicatalysis-Enabled Multicomponent Reactions Generate a PTP1B Inhibitor. [PDF]

ACS Cent Sci
Shi T, Li Y, Yang J, Weng W, Zhang M, Shu J, Qian Y, Zhang T, Hu W.   +8 more
europepmc   +1 more source

Brønsted acid catalyzed mechanochemical domino multicomponent reactions by employing liquid assisted grindstone chemistry. [PDF]

Sci Rep, 2023
Borah B, Swain S, Patat M, Kumar B, Prajapat KK, Biswas R, Vasantha R, Chowhan LR.   +7 more
europepmc   +1 more source

New reactions of 2-methyleneaziridines [PDF]

Chapter One reviews the synthesis, properties and reactions of 2-methyleneaziridines, the subject of this thesis. Chapter Two describes the use of these heterocycles in the development of a new four-component synthesis of biologically important α ...
Mumford, Peter Marten
core  

Self‐Driving Laboratory Optimizes the Lower Critical Solution Temperature of Thermoresponsive Polymers

Advanced Intelligent Discovery, EarlyView.
A low‐cost, self‐driving laboratory is developed to democratize autonomous materials discovery. Using this "frugal twin" hardware architecture with Bayesian optimization, the platform rapidly converges to target lower critical solution temperature (LCST) values while self‐correcting from off‐target experiments, demonstrating an accessible route to data‐
Guoyue Xu, Renzheng Zhang, Tengfei Luo
wiley   +1 more source

Design and Synthesis of Ketenimine Sulfonamide Conjugates through Multicomponent Reactions; A Combined Cytotoxic Analysis and Computational Exploration. [PDF]

ACS Omega, 2023
Prabhu DJ, Ray U, Rajeev A, Joy R, George AT, George J, Raghavan SC, John F.   +7 more
europepmc   +1 more source

Biginelli multicomponent reactions

, 2015
Biginelli reaction is one of the most remarkable examples of MCRs discovered in 1893 and proof of its importance is the high number of articles reported in the last decade covering this field. This strategy allows the synthesis of important building blocks and versatile synthons such as 3,4-dihydropyrimidin-2-(1H)-one derivatives (DHPMs), which are ...
Marqués-López, Eugenia, Herrera, Raquel P.   +1 more
openaire   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

Autonomous AI‐Driven Design for Skin Product Formulations

Advanced Intelligent Discovery, EarlyView.
This review presents a comprehensive closed‐loop framework for autonomous skin product formulation design. By integrating artificial intelligence‐driven experiment selection with automated multi‐tiered assays, the approach shifts development from trial‐and‐error to intelligent optimisation.
Yu Zhang, Yongrui Xiao, Chunlin Chen, Dimitrios Tsaoulidis, Kai Yang, Tao Chen   +5 more
wiley   +1 more source

Pictet–Spengler-Based Multicomponent Domino Reactions to Construct Polyheterocycles

Pharmaceutical Fronts, 2023
Jun-Duo Hu, Li-Liang Huang, Huang-Di Feng   +2 more
doaj   +1 more source

Characterization of Novel Sigma Receptor Ligands Derived from Multicomponent Reactions as Efficacious Treatments for Neuropathic Pain. [PDF]

Pharmaceuticals (Basel)
Shinouchi R, Turgutalp B, Ople RS, Eans SO, Williams AK, Hammond HR, Varadi A, Dardashti RN, Majumdar S, McLaughlin JP.   +9 more
europepmc   +1 more source