Results 41 to 50 of about 4,804 (192)

Crystal structure of ethyl (2S,2′R)-1′-benzyl-3-oxo-3H-dispiro[1-benzothiophene-2,3′-pyrrolidine-2′,11′′-indeno[1,2-b]quinoxaline]-4′-carboxylate

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title compound, C35H27N3O3S, the spiro-linked five-membered rings both adopt twisted conformations. The pyrrolidine ring makes dihedral angles of 80.5 (1) and 77.4 (9)° with the benzothiophene ring system and the quinoxaline ring system ...
J. Govindaraj, R. Raja, M. Suresh, R. Raghunathan, A. SubbiahPandi   +4 more
doaj   +1 more source

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

Advanced 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, Seigo Watanabe, Hana Matsunaga, Kenichi Oyaizu   +3 more
wiley   +1 more source

Crystal structure of ethyl 2′′,3-dioxo-7′,7a'-dihydro-1′H,3H,3′H-dispiro[benzo[b]thiophene-2,6′-pyrrolo[1,2-c]thiazole-5′,3′′-indoline]-7′-carboxylate

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title compound, C23H20N2O4S2, the central pyrrolidine ring adopts an envelope conformation with the spiro C atom, shared with the benzothiophene ring system, as the flap.
M. P. Savithri, M. Suresh, R. Raghunathan, R. Raja, A. SubbiahPandi   +4 more
doaj   +1 more source

From Data to Dimers: Engineering Acene Derivatives for Photovoltaic Singlet Fission

Chemistry – A European Journal, EarlyView.
Excited‐state energies of acene derivatives are predicted using a ChemBERTa‐based regression model and subsequently used to screen candidates for photovoltaic singlet fission using dimer–monomer benchmarked energetic criteria. Promising candidates are predominantly 5‐ and 6‐fused heteroacenes, which offer enhanced stability and higher triplet energies ...
Alexander J. Cross, Rik R. Tykwinski, J. Terence Blaskovits   +2 more
wiley   +1 more source

Impacts of refining Canadian partially upgraded bitumen: Fluid catalytic cracking

The Canadian Journal of Chemical Engineering, EarlyView.
Abstract In this study, we examine the fluid catalytic cracking (FCC) performance of vacuum gas oil (VGO) from partially upgraded bitumen (PUB), a novel refinery feedstock from Canadian bitumen. FCC experiments were conducted in a lab‐scale FCC unit with VGOs from two different PUBs prepared using thermal cracking and solvent deasphalting, along with ...
Yi Zhang, Anton Alvarez‐Majmutov, Rafal Gieleciak, Jinwen Chen   +3 more
wiley   +1 more source

Gas–Solid Interface‐Assisted Growth of Organic Semiconductor Single Crystals: Dimensions, Structures, Mechanisms, and Applications

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
Gas–solid interface‐assisted growth strategies have unlocked precise control over crystal structure, morphology, dimension, and molecular packing. The obtained organic semiconductor single crystals represent the ideal candidates for high‐performance organic optoelectronic devices.
Tingyi Yan, Qing Tian, Jinwen Wang, Ke Jiang, Yage Han, Yuanzhuang Ren, Lingyun Li, Xiujuan Zhang, Jiansheng Jie   +8 more
wiley   +1 more source

Crystal structure of ethyl 5′′-fluoro-2′′,3-dioxo-6′,7′,8′,8a'-tetrahydro-2′H,3H,5′H-dispiro[benzo[b]thiophene-2,1′-indolizine-3′,3′′-indoline]-2′-carboxylate

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title compound, C25H23FN2O4S, the fused piperidine ring of the octahydroindolizine ring system adopts a chair conformation and the five-membered ring has a twisted conformation on the N—C(spiro) bond.
R. Raja, J. Govindaraj, M. Suresh, R. Raghunathan, A. SubbiahPandi   +4 more
doaj   +1 more source

The role of additives in the film formation kinetics of active layers in organic solar cells: From in situ characterization to mechanistic elucidation

FlexMat, EarlyView.
This review highlights the critical regulatory role of liquid and solid additives in the film formation kinetics of organic solar cells (OSCs) active layer. Real‐time in situ characterization technology techniques (in situ UV‐Vis, PL, GIWAXS, and GISAXS) are utilized to monitor the dynamic solution‐to‐solid transformation, revealing how additives ...
Yuanwei Zhao, Weichao Zhang, Tianyu Zhang, Jigui Tang, Yali Chen, Zheling Zhang, Dongjie Wang, Jian Zhang, Huiqiong Zhou   +8 more
wiley   +1 more source

SYNTHESIS OF BENZO[B]THIOPHENE-BASED ORGANIC COMPOUNDS AND THEIR HYDRAZINE ELECTROOXIDATION PERFORMANCE AS AN ANODE CATALYST

Eskişehir Osmangazi Üniversitesi Mühendislik ve Mimarlık Fakültesi Dergisi
In this study, 3-iodo-2-(p-tolyl)benzo[b]thiophene (4C) is synthesized by using Sonagashira coupling reactions and electrophilic cyclization reactions.
Arif Kıvrak, Hilal Demir Kıvrak, Aykut Çağlar, Şefika Kaya, Ömrüye Özok Arıcı   +4 more
doaj   +1 more source

Synthesis and structure elucidation of some novel thiophene and benzothiophene derivatives as cytotoxic agents

Acta Pharmaceutica, 2016
Attempting to produce cyclized systems with potential anti-proliferative activity, a series of novel thiophene and benzothiophene derivatives were designed and synthesized.
Mohareb Rafat M., Abdallah Amira E. M., Helal Maher H. E., Shaloof Somiya M. H.   +3 more
doaj   +1 more source