Results 71 to 80 of about 5,350,209 (268)

A thermally-induced, tandem [3,3]-sigmatropic rearrangement/[2 + 2] cycloaddition approach to carbocyclic spirooxindoles

Beilstein Journal of Organic Chemistry, 2010
The synthesis of C3-carbocyclic spirooxindoles was realized by way of an intramolecular [2 + 2] cycloaddition reaction between a vinylidene indolin-2-one and an alkyne.
Kay M. Brummond, Joshua M. Osbourn
doaj   +1 more source

Ultrastable Self‐Cross‐linkable Electro‐Optic Materials Based on a Bisanthracene Scaffold

Advanced Electronic Materials, EarlyView.
A novel bisanthracene‐based self‐cross‐linkable electro‐optic chromophore (TD2) is developed. TD2 exhibits a high r33 of 141 pm/V and a cross‐linked Tg up to 195 °C, retaining 99.75% of its initial EO response after 500 h at 85 °C, showing record‐high thermal stability for single‐molecule self‐cross‐linking EO materials.
Xingtao Wang, Zhifan Liu, Qinghua Yang, Jiayan Xu, Lin Li, Fenggang Liu, Shengyu Cong   +6 more
wiley   +1 more source

Palladium‐Catalyzed Annulations of an Anti‐Bredt Olefin

Angewandte Chemie, EarlyView.
We report metal‐catalyzed trappings of a [2.2.1]‐bridged bicyclic anti‐Bredt olefin (ABO). The methodology yields unusual heterocyclic products and is expected to prompt the further development of unconventional reactions, including metal‐catalyzed processes of ABOs and other strained olefins. ABSTRACT A famous class of alkene‐containing compounds that
Zach G. Walters, Marie Deliaval, Aimee Long, Neil K. Garg   +3 more
wiley   +2 more sources

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Virus‐Mediated Self‐Assembly of Functional Cyclodextrins for Antiviral Inhibition

Angewandte Chemie, EarlyView.
A sialic acid (SA)‐functionalized cyclodextrin (CD) self‐assembles on SARS‐CoV‐2 through ligand–receptor recognition, nucleating cooperative supramolecular polymer growth that blocks infection. The adaptive assembly requires both ligand binding and host–guest polymerization, remains active across variants, and can be tuned by coassembly, establishing ...
Pedro J. Hernando, Laora Boulo, Léonid Lavnevich, Elisa Teyssou, Stéphane Marot, Adélie Gothland, Jean‐Michel Guigner, Anne‐Geneviève Marcelin, Mickaël Ménand, Vincent Calvez, Matthieu Sollogoub   +10 more
wiley   +2 more sources

Synthesis of Six Natural Products Enabled by Selective Hydroxylation of Orcinaldehyde‐Like Substrates With an Enzyme Library

Angewandte Chemie, EarlyView.
Achieving selective (sp3)C–H hydroxylation can streamline the synthesis of complex organic molecules. Biocatalysis presents an opportunity to realize this transformation, however, identifying useful enzymes that enable synthetic strategies can be a challenge due to limitations in enzyme substrate scope.
Gonzalo J. Villegas Rodríguez, Evan O. Romero, Jonathan C. Perkins, Diego N. Rojas, Maximilian S. Hrigora, Alison R. H. Narayan   +5 more
wiley   +2 more sources

An ab initio study of the mechanism of the cycloaddition reaction forming bicyclic compounds between vinylidene (H2C=C:) and ethylene [PDF]

Journal of the Serbian Chemical Society, 2011
The mechanism of the cycloaddition reaction forming a bicyclic compounds between singlet vinylidene (H2C=C:) and ethylene was investigated using the CCSD(T)//MP2/6-31G* method. From the potential energy profile, it can be predicted that this reaction has
YONGQING LI, ZHENXIA LIAN, XIUHUI LU
doaj  

Reversible [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene

Chemical Science, 2015
Under ambient conditions, a [4 + 2] cycloaddition reaction of 1,3,2,5-diazadiborinine 1 with ethylene afforded a bicyclo[2.2.2] derivative 2, which was structurally characterized.
Di Wu, Rakesh Ganguly, Yongxin Li, Sin Ni Hoo, H. Hirao, Rei Kinjo   +5 more
semanticscholar   +1 more source

Generation of the Camptothecin Scaffold by a Flavin‐Catalyzed Photooxidative Skeletal Reorganization

Angewandte Chemie, EarlyView.
The biosynthetic pathway of the anticancer drug precursor camptothecin involves an enigmatic skeletal reorganization from a 6/5/6 tetrahydro‐β‐carboline to a 6/6/5 pyrroloquinoline ring system. Here, we show that this transformation can be achieved by photooxidation with flavin cofactors, such as flavin mononucleotide (FMN) as catalysts.
Shenyu Liu, Zeliang Zhang, Benedikt Seligmann, Van Hung Bui, Tuan‐Anh Minh Nguyen, Thu‐Thuy T. Dang, Jakob Franke   +6 more
wiley   +2 more sources

Kinetically Stable Boron‐Heteroatom Bonds

Angewandte Chemie, EarlyView.
This study investigates the kinetic stability of boron‐heteroatom bonds in N‐methyliminodiacetic acid (MIDA) boronates. The hemilabile nature of the ligand enables the synthesis of molecules that would otherwise be considered too hydrolytically labile. Depending on the structure, acid‐promoted migration of the boryl group was found to produce compounds
Alina Trofimova, Ben Zhen Huang, Harjeet S. Soor, Brandon White, Aleksandra Holownia, Yury Lebedev, Alan J. Lough, Travis Dudding, Andrei K. Yudin   +8 more
wiley   +2 more sources