A photoresponsive electron donor-acceptor (EDA) complex, formed by indole and hypervalent iodine such as diacetoxyiodobenzene (DAIB/PIDA, ), was detectable through absorption and emission spectroscopy. Irradiation of the EDA complex with visible light triggered photoinduced single electron transfer (SET) processes that were synthetically useful for the catalyst-free, regioselective acetylation of indoles. The photocatalytic reaction with excess DAIB was also used for the synthesis of isatins. The synthetic protocols were tolerant of a wide variety of substituents on the indole ring, including -substitutions. DFT and TD-DFT studies were performed to model the excited states of the EDA complex and validate the photoinduced SET mechanism.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1039/d3cc01683h | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Driving-Related Cognitive Abilities Prediction Based on Transformer's Multimodal Fusion Framework.
Sensors (Basel)
December 2024
Faculty of Information Science and Technology, Beijing University of Technology, Beijing 100124, China.
With the increasing complexity of urban roads and rising traffic flow, traffic safety has become a critical societal concern. Current research primarily addresses drivers' attention, reaction speed, and perceptual abilities, but comprehensive assessments of cognitive abilities in complex traffic environments are lacking. This study, grounded in cognitive science and neuropsychology, identifies and quantitatively evaluates ten cognitive components related to driving decision-making, execution, and psychological states by analyzing video footage of drivers' actions.
View Article and Find Full Text PDFHarnessing the Power of Machine Learning Guided Discovery of NLRP3 Inhibitors Towards the Effective Treatment of Rheumatoid Arthritis.
Cells
December 2024
Department of Herbal Pharmacology, College of Korean Medicine, Gachon University, 1342 Seongnamdae-ro, Sujeong-gu, Seongnam-si 13120, Republic of Korea.
The NLRP3 inflammasome, plays a critical role in the pathogenesis of rheumatoid arthritis (RA) by activating inflammatory cytokines such as IL1β and IL18. Targeting NLRP3 has emerged as a promising therapeutic strategy for RA. In this study, a multidisciplinary approach combining machine learning, quantitative structure-activity relationship (QSAR) modeling, structure-activity landscape index (SALI), docking, molecular dynamics (MD), and molecular mechanics Poisson-Boltzmann surface area MM/PBSA assays was employed to identify novel NLRP3 inhibitors.
View Article and Find Full Text PDFVisible-light-promoted azidation/arylation of unactivated alkenes with Togni-N electron donor-acceptor complexes.
Org Biomol Chem
January 2025
Advanced Catalysis and Green Manufacturing Collaborative Innovation Center, School of Petrochemical Engineering, Changzhou University, Changzhou 213164, China.
A visible-light-promoted azidation/arylation of unactivated alkenes with Togni-N has been achieved, leading to a series of azidated pyrrolo[1,2-]indoles under photocatalyst-free conditions. Notably, an EDA complex derived from the electron-rich indole derivatives and Togni-N served as the key intermediate in this reaction.
View Article and Find Full Text PDFHigh-Throughput Effect-Directed Analysis of Androgenic Compounds in Hospital Wastewater: Identifying Effect Drivers through Non-Target Screening Supported by Toxicity Prediction.
Environ Sci Technol
January 2025
Department Exposure Science, Helmholtz Centre for Environmental Research─UFZ, 04318 Leipzig, Germany.
The increasing number of contaminants released into the environment necessitates innovative strategies for their detection and identification, particularly in complex environmental matrices like hospital wastewater. Hospital effluents contain both natural and synthetic hormones that might significantly contribute to endocrine disruption in aquatic ecosystems. In this study, HT-EDA has been implemented to identify the main effect-drivers (testosterone, androsterone and norgestrel) from hospital effluent using microplate fractionation, the AR-CALUX bioassay and an efficient data processing workflow.
View Article and Find Full Text PDFIn Silico Evaluation of Some Computer-Designed Fluoroquinolone-Glutamic Acid Hybrids as Potential Topoisomerase II Inhibitors with Anti-Cancer Effect.
Pharmaceuticals (Basel)
November 2024
Pharmaceutical and Therapeutic Chemistry Department, Faculty of Pharmacy, George Emil Palade University of Medicine, Pharmacy, Science and Technology of Targu Mures, 540142 Targu Mures, Romania.
Fluoroquinolones (FQs) are topoisomerase II inhibitors with antibacterial activity, repositioned recently as anti-cancer agents. Glutamic acid (GLA) is an amino acid that affects human metabolism. Since an anti-cancer mechanism of FQs is human topoisomerase II inhibition, it is expected that FQ-GLA hybrids can act similarly.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!