Results 21 to 30 of about 7,447 (129)

Unprecedented Elimination Reactions of Cyclic Aldols: A New Biosynthetic Pathway toward the Taiwaniaquinoid Skeleton

Molecules, 2023
The acid treatment of 6,7-seco-abietane dialdehydes gives, in high yield, the corresponding derivatives with the 4a-methyltetrahydrofluorene skeleton of taiwaniaquinoids.
Juan J. Guardia, Antonio Fernández, José Justicia, Houda Zentar, Ramón Alvarez-Manzaneda, Enrique Alvarez-Manzaneda, Rachid Chahboun   +6 more
doaj   +1 more source

Artificial Intelligence‐Driven Inverse Design of Singlet Fission Candidates in the Acene family

Advanced Science, EarlyView.
In this work, we describe an AI‐driven inverse design platform predicting S1 and T1 energies across acenes with high accuracy. Using Hammett σ constants as descriptors and RNN models coupled with optimization algorithms, it efficiently explores ≈1014 structures, uncovering novel SF candidates from benzene to pentacene. Freely accessible at https://alba.
Rafael G. Uceda, Boris Pérez‐Cañedo, Sandra Míguez‐Lago, Carlos M. Cruz, Joaquín J. Torres, Omar Núñez, Luis Álvarez de Cienfuegos, Antonio J. Mota, Delia Miguel, Juan M. Cuerva   +9 more
wiley   +1 more source

New Short Strategy for the Synthesis of the Dibenz[b,f]oxepin Scaffold

Molecules, 2013
In this report a short and efficient synthesis of the dibenz[b,f]oxepin framework through intramolecular SNAr and McMurry reactions is described. The diaryl ethers required for the McMurry reaction have been obtained in good yields under microwave ...
David R. R. Moreno, Giorgio Giorgi, Cristian O. Salas, Ricardo A. Tapia   +3 more
doaj   +1 more source

Visible‐Light‐Mediated Lewis Acid‐Catalyzed Diradical Hydrogen Atom Transfer Reaction of Enamides

Advanced Science, EarlyView.
The Lewis acid catalysis was crucial for the success of the DHAT reaction of enamides by lowering the energy of the triplet excited state and modulating the reactivity of the formed diradical intermediate in a carbon‐to‐carbon 1,5‐DHAT and consequent cyclization that allows the functionalization of C(sp3)−H bonds to construct a variety of novel β ...
Yao Huang, Baoyu Yang, Xiang Zhou, Israel Fernández, Kexue Xia, Yang Xiong   +5 more
wiley   +1 more source

Embedded Morgan Fingerprints for More Efficient Molecular Property Predictions With Machine Learning

Advanced Intelligent Discovery, EarlyView.
High dimensionality of Morgan fingerprints causes overfitting and slow training. Embedded Morgan Fingerprint (eMFP) compresses this encoding while keeping key structural information intact. Tested on five regression models across three databases for HOMO–LUMO gap prediction, eMFP outperforms standard fingerprints, training faster on large, high ...
Emilio Nuñez‐Andrade, Isaac Vidal‐Daza, Rafael Gómez‐Bombarelli, James W. Ryan, Francisco J. Martin‐Martinez   +4 more
wiley   +1 more source

Una reacción multicomponente verde en el laboratorio de química orgánica

Educación Química, 2018
En este siglo, los químicos se han encontrado con un nuevo desafío: producir de manera eficiente los materiales necesarios para mantener la calidad de vida de los seres vivos, reduciendo los efectos negativos sobre el medio ambiente y la salud humana. En
Mariana Ingold, Rosina Dapueto, Gloria V. Lopez, Williams Porca   +3 more
doaj   +1 more source

Exploring the Boundaries of Aromaticity in Complex Structures and Excited States Through Computational Analysis

Chemistry – A European Journal, EarlyView.
Understanding aromaticity has evolved from benzene‐centric concepts to a broad multidimensional framework spanning organic, inorganic, and excited‐state systems. This review highlights ambiguities between magnetic, electronic, geometric, and energetic descriptors, emphasizing the need for unified, multi‐criteria approaches.
Sílvia Escayola, Miquel Solà, Albert Poater   +2 more
wiley   +1 more source

Synthesis and characterization of amphiphilic nitroxide 1,1,3,3–tetraethylisoindoline–2–oxyl–5–sodium sulfonate (TEIOSNa)

The Canadian Journal of Chemical Engineering, EarlyView.
Abstract The synthesis and characterization of an amphiphilic nitroxide to be used as a controlling agent in a nitroxide‐mediated living radical polymerization in aqueous dispersion media is presented. In the first stage of nitroxide synthesis (phthalimide protection), two reaction methods were employed: traditional and microwave.
Enrique García‐Leal, Martha Eugenia Albores Velasco, René O. Vargas, Rubén Mil‐Martínez   +3 more
wiley   +1 more source

Enantioselective Solvent-Free Synthesis of 3-Alkyl-3-hydroxy-2-oxoindoles Catalyzed by Binam-Prolinamides

Molecules, 2015
BINAM-prolinamides are very efficient catalyst for the synthesis of non-protected and N-benzyl isatin derivatives by using an aldol reaction between ketones and isatins under solvent-free conditions.
Abraham Bañn-Caballero, Jesús Flores-Ferrándiz, Gabriela Guillena, Carmen Nájera   +3 more
doaj   +1 more source

Poly(Ionic) Liquid‐Enhanced Ion Dynamics in Cellulose‐Derived Gel Polymer Electrolytes

ChemSusChem, Volume 18, Issue 6, March 15, 2025.
Advancing Energy Storage: Gel Polymer Electrolytes with Promising Potential Gel polymer electrolytes (GPEs) incorporating methyl cellulose and a range of ionic/polymeric achieved Li+ transference numbers comparable to traditional liquid electrolytes.
Tiago G. Paiva, Maykel Klem, Sara L. Silvestre, João Coelho, Neri Alves, Elvira Fortunato, Eurico J. Cabrita, Marta C. Corvo   +7 more
wiley   +1 more source