Results 71 to 80 of about 105,049 (336)
Quantum‐Trained AI Enables Inverse Design of Organic Frontier Orbitals at Billion‐Scale
Advanced Science, EarlyView.Quantum‐trained AI links molecular substructures to frontier‐orbital energetics and enables interpretable screening across nearly one billion GDB‐13 molecules. By combining fragment‐ and ring‐level insights with donor–acceptor energy alignment against ITIC, the framework narrows an immense chemical space to a small set of promising candidates and ...
Yeongnam Ko, Se Jin Kim, Ki Chul Kim
wiley +1 more source
Mechanism of the effect of Fe/Ca oxide on coal pyrolysis to HCN
Meitan xuebaoFe2O3 and CaO are the main metal oxides in coal, which have an effect on NOx precursor-HCN generation during coal pyrolysis. In order to reveal the mechanism of Fe2O3 and CaO on HCN generation during coal pyrolysis, this paper adopts pyrrole as a ...
Jingkuan LI +7 more
doaj +1 more source
, 2016 A regiocontrolled synthesis of 3,4-disubstituted pyrrole-2-carboxaldehydes was completed in two steps from acyclic starting materials. A Barton−Zard pyrrole synthesis between N-methoxy-N-methyl-2-isocyanoacetamide and α-nitroalkenes or β-nitroacetates ...
Elina Tserlin (2531287) +3 more
core +1 more source
Advanced Science, EarlyView.Leveraging the critical role of glutathione (GSH) in mediating drug resistance and scavenging reactive oxygen species (ROS) in cancer cells, a carrier‐free GSH‐consuming theranostic nanoprodrug, consisting of a BODIPY photosensitizer and the chemotherapeutic drug paclitaxel linked through a GSH‐consuming drug linker, is developed to deeply explore the ...
Hansheng Huang, Binglin Sui
wiley +1 more source
Crystal structure and synthesis of 3-(1H-pyrrol-2-yl)-1-(thiophen-2-yl)propanone
Acta Crystallographica Section E: Crystallographic Communications, 2018 The title compound, C11H9NOS, was obtained in an improved yield compared to previous literature methods. The molecule is essentially planar with a maximum deviation of 0.085 Å from the mean plane through all non-H atoms. There is directive intermolecular
Dáire Gibbons +2 more
doaj +1 more source
Biosensors & bioelectronics, 2016 The Gram-negative bacterium, Salmonella Typhimurium (S. Typhimurium) is a food borne pathogen responsible for numerous hospitalisations and deaths all over the world.
Elham Sheikhzadeh +4 more
semanticscholar +1 more source
Pyrrolate-Catalyzed Conjugate Addition of Pyrrole to Electron-Deficient Alkenes
Synlett, 2006 AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Richardson, Robert D. +2 more
openaire +3 more sources
Investigation of Polyoxometalate-(Poly)pyrrole Heterogeneous Nanostructures as Cathodes for Rechargeable Magnesium-Ion Batteries [PDF]
, 2018 The PMo12-PPy heterogeneous cathode was synthesized electrochemically. In doing so, the PMo12 redox-active material was impregnated throughout the conductive polymer matrix of the poly(pyrrole) nanowires.
Sang Bok Lee (1416703) +3 more
core +1 more source
Advanced Science, EarlyView.From passive to active ion transport: π‐conjugated heterocycles reconfigure the hydration environment and microphase morphology of p‐terphenyl‐based anion‐exchange membranes, enabling fast hydroxide transport and high‐performance water electrolysis. ABSTRACT Anion‐exchange membrane water electrolysis (AEMWE) is a promising technology for sustainable ...
Qian Wang +8 more
wiley +1 more source
, 2020 This Structure Data File (SDfile) is associated with the thesis: Chen, W. "Part I: synthesis of some pyrrole-derived conducting polymers; Part II: synthesis of pyrrole-annealated tetrathiafulvalene." and http://library.ua.edu/vwebv/holdingsInfo?bibId ...
Scalfani, Vincent F.
core +1 more source