Results 31 to 40 of about 7,352 (256)

Excitation Energy Transfer between Porphyrin Dyes on a Clay Surface: A Study Employing Multifidelity Machine Learning

Advanced Theory and Simulations, EarlyView.
Inspired by natural light‐harvesting systems, this study computationally investigates a synthetic antenna by arranging cationic free‐base porphyrin molecules on an anionic clay surface. Using a multiscale quantum mechanics/molecular mechanics (QM/MM) approach combined with a multifidelity machine learning method, excitation energies are predicted ...
Dongyu Lyu, Vivin Vinod, Matthias Holzenkamp, Yannick Marcel Holtkamp, Sayan Maity, Carlos R. Salazar, Ulrich Kleinekathöfer, Peter Zaspel   +7 more
wiley   +1 more source

Modelling of Lewis-Acid Catalyzed Ring Opening of Oxanorbornenes in the Synthesis of Azaheterocyclic Phosphonates [PDF]

, 2010
Since the discovery of the biological activity of aminophosphonates, research started on the synthesis of more constraint azaheterocyclic phosphonates. We developed a route via an intramolecular Diels-Alder reaction towards α-aminophosphonates 1.
Claeys, Diederica, Stevens, Christian, Van Speybroeck, Veronique, Waroquier, Michel   +3 more
core   +1 more source

Potent α-glucosidase inhibitory activity of compounds isolated from the leaf extracts of Uvaria hamiltonii [PDF]

, 2018
The phytochemical investigation of the leaf extracts of Uvaria hamiltonii (Annonaceae) led to the isolation and identification of ten compounds including a new seco-cyclohexene (1) together with nine known compounds (2-10).
Laphookhieo, Surat, Meesakul, Pornphimol, Pyne, Stephen G   +2 more
core   +3 more sources

Identification of Exhaled Volatile Organic Compounds Biomarkers for Lung Cancer Under Data‐Limited Conditions Using Data Augmentation and Multi‐View Feature Selection

Advanced Intelligent Discovery, EarlyView.
This work introduces a novel framework for identifying non‐small cell lung cancer biomarkers from hundreds of volatile organic compounds in breath, analyzed via gas chromatography‐mass spectrometry. This method integrates generative data augmentation and multi‐view feature selection, providing a stable and accurate solution for biomarker discovery in ...
Guancheng Ren, Bohao Liu, Zhiyuan Qu, Xue Jiang, Heng Zhao, Danyao Qu, Ruizhi Ning, Chen Su, Taoping Liu, Guangjian Zhang, Weiwei Wu   +10 more
wiley   +1 more source

A–C Estrogens as Potent and Selective Estrogen Receptor-Beta Agonists (SERBAs) to Enhance Memory Consolidation under Low-Estrogen Conditions [PDF]

, 2018
Estrogen receptor-beta (ERβ) is a drug target for memory consolidation in postmenopausal women. Herein is reported a series of potent and selective ERβ agonists (SERBAs) with in vivo efficacy that are A–C estrogens, lacking the B and D estrogen rings ...
Donaldson, William A., Frick, Karyn M., Hanson, Alicia M., Imhoff, Andrea, Kim, Jaekyoon, Lu, Xingyun, Mackinnon, Alexander Craig, Pandey, Rajesh K., Perera, K. L. Iresha Sampathi, Sem, Daniel S., Sweeney, Noreena, Van Hart, Rochelle M., Wargolet, Adam J.   +12 more
core   +4 more sources

Use of Pd/activated carbon fiber catalyst to dehydrogenate cyclohexane [PDF]

, 2009
In this work, activated carbon fibers (ACFs) were prepared from polyacrylonitrile fibers, Pd catalyst was loaded onto the ACFs. The BET surface areas noted before activation were in the range of 120-140 m2/g.
Serkan, Bas, Serkan, Baş, Yurum, Yuda, Yürüm, Yuda   +3 more
core  

Interfacial Photoelectrochemistry in Organic Synthesis

Angewandte Chemie International Edition, Accepted Article.
Photoelectrodes have traditionally enjoyed widespread attention as heterogeneous catalysts for the activation of water and CO2 in energy research, while photoelectrochemistry with homogeneous molecular catalysts dominates the activations of more complex molecules in organic synthesis.
Gabriel Chan, Daria Corsi, Oleksandr Savateev, Paolo Giusto, Joshua Philip Barham   +4 more
wiley   +1 more source

Cleavage of the Oxanorbornene Oxygen Bridge with Lewis Acids: Computation and Experiment [PDF]

, 2009
Since the discovery of the biological activity of aminophosphonates, research started on the synthesis of more constraint azaheterocyclic phosphonates. We developed a route via an intramolecular Diels-Alder reaction towards α-aminophosphonates 1. [1] The
Claeys, Diederica, Moonen, K., Roman, Bart, Stevens, Christian, Van de Caveye, Pieter, Van Speybroeck, Veronique, Waroquier, Michel   +6 more
core   +1 more source

The Chemistry and Biology of the Tetrodotoxin Natural Product Family

Angewandte Chemie International Edition, EarlyView.
Tetrodotoxin is best known as the poison of the pufferfish, which is a delicacy in Japanese cuisine. Its toxicity arises from the selective blockage of NaV channels, which is depicted for the NaV1.7 pore, highlighting the DEKA motif, which permeates sodium ions.
Benedikt Nißl, Marcel Mülbaier, Francesca Grisoni, Dirk Trauner, Marcel Bermúdez, Clemens Dialer, David B. Konrad   +6 more
wiley   +1 more source

ChemInform Abstract: THE OXIDATION OF 2‐CYCLOHEXEN‐1‐ONES TO 2‐CYCLOHEXENE‐1,4‐DIONES [PDF]

Chemischer Informationsdienst, 1984
AbstractDie direkte Oxidation der Cyclohexenone (I) mit Molybdatophosphorsäure/Kaliumdichromat/ Kupfer(II)‐sulfat/Luftsauerstoff ergibt die Cyclohexen‐1,4‐dione (II).
Vernon J. Freer, Peter Yates
openaire   +2 more sources