Results 121 to 130 of about 5,308 (247)

1‐Azabicyclo[1.1.0]butanes (ABBs) on the Map: Mechanistic Pathways for Catalytic Ring Opening and Functionalizations

open access: yesAngewandte Chemie, EarlyView.
Catalytic strain‐release ring opening and functionalizations of 1‐azabicyclo[1.1.0]butanes (ABBs) represent a promising strategy for accessing diverse azetidine products. These transformations proceed via polar pathways, radical pathways, and hybrid mechanisms that combine both.
James Shao‐Jiun Yang   +1 more
wiley   +2 more sources

Density functional theory calculations and thermodynamic analysis of pyrolysis mechanism of sulfur-containing compounds in shale oil

open access: yesMeitan xuebao
Sulfur-containing compounds in shale oil pyrolyzed at varying final temperatures are analyzed using a fixed-bed reactor and a gas chromatography-sulfur chemiluminescence detector (GC-SCD).
Shuo PAN   +6 more
doaj   +1 more source

A review of the occurrence, toxicity,and biodegradation of condensed thiophenes found in petroleum

open access: yes, 1998
Condensed thiophenes comprise a significant portion of the organosulfur compounds in petroleum and in other products from fossil fuels. Dibenzothiophene (DBT) has served as a model compound in biodegradation studies for over two decades.
Phillip M Fedorak, Kevin G Kropp
core   +1 more source

Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion

open access: yesAdvanced Intelligent Discovery, EarlyView.
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia   +1 more
wiley   +1 more source

Efficient Access to 2-Aryl-3-Substituted Benzo[b]thiophenes

open access: yes, 2016
Benzo[b]thiophene derivatives are important in part because of their use as selective estrogen receptor modulators. They are usually synthesized by intramolecular cyclization.
Marc Lemaire (1891603)   +4 more
core   +1 more source

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

open access: yesAdvanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi   +2 more
wiley   +1 more source

Electroactive polymers from β-substituted thiophenes [PDF]

open access: yes, 1989
The work reported in this thesis can be broken down into three main areas. The first describes the synthesis of a series of β-substituted thiophenes bearing long, lipophilic chains (either ether, polyether or amido in nature).
Chissel, André Duncan
core   +2 more sources

New Poly(arylene thiophenes) [PDF]

open access: yes, 2012
Soluble poly(arylene thiophenes) containing amide bridge bonds and free nitrile groups have been synthesized through polycondensation of new arylene-bis(2-aminothiophene-3-carbonitrile)s with arylenedicarboxylic acid dichlorides, and their physical and
Rodlovskaya, E.N., Izmailov, B.A.
core  

Generative and Experimental Validation of High Refractive Index Polymers via Domain Knowledge Approach with Small Data

open access: yesAdvanced Intelligent Discovery, EarlyView.
This research demonstrates that the combination of domain knowledge–based multiple regression, multi‐objective Bayesian optimization, and generative models is a suitable prediction tool for candidates of high refractive index polymers, even with the constraints in the model trained on limited data. The experimental validation can reproduce the proposed
Takuya Yokoo   +3 more
wiley   +1 more source

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