Results 41 to 50 of about 20,087 (300)

Storing the wisdom: chemical concepts and chemoinformatics [PDF]

, 2015
The purpose of the paper is to examine the nature of chemical concepts, and the ways in which they are applied in chemoinformatics systems. An account of concepts in philosophy and in the information sciences leads to an analysis of chemical concepts ...
Ash, Ash, Ash, Ash, Atkins, Babaev, Badger, Barnard, Batchelor, Bawden, Bonchev, Bottle, Broughton, Buntrock, Chalmers, Crum Brown, Currano, Currano, Currano, Foskett, Garratt, Gilat, Hale, Hjørland, King, Knight, Krygowski, Lancaster, Lawson, Leach, Lewis, Loftus, Lynch, Margolis, Marradi, Maxwell, Meadows, Mitchell, Ney, Olis, Parsons, Peacocke, Rice, Ritter, Rouvray, Rouvray, Scerri, Scerri, Smith, Taber, Twiss-Brooks, Van Loocke, Villaveces, Vincent, Wagner, Walker, Weitz, Zhang   +57 more
core   +2 more sources

Synthesis and structure of trans-1,2,3- tris(3-thenoyl)cyclopropane [PDF]

, 1994
The title cyclopropane derivative, C18H12O3S3, was synthesized and its structure investigated by single-crystal X-ray diffraction and spectroscopic methods.
Saba, Antonio
core  

Ambient-pressure molecular superconductor with a superlattice containing layers of tris(oxalato)rhodate enantiomers and 18-crown-6 [PDF]

, 2017
We report a novel multilayered organic-inorganic hybrid material, β”-(BEDT-TTF)2[(H2O)(NH4)2Rh(C2O4)3].18-crown-6. This is the first molecular superconductor to have a superlattice with layers of both BEDT-TTF and 18-crown-6, and also the first with the ...
Alexander L. Morritt, Hiroki Akutsu, Jordan R. Lopez, Lee Martin, Shusaku Imajo, Yasuhiro Nakazawa, Yoshihiko Ihara, Zhang B.   +7 more
core   +2 more sources

Ammonium Salts as Curing Agents to Obtain Ionic Epoxy Resins With a Thermoplastic‐to‐Thermoset Transition

Advanced Materials, EarlyView.
Ionic epoxy networks are prepared using ammonium salts as hardeners, leading to a two‐stage curing process with a thermoplastic‐like intermediate. This uncommon behavior enables extrusion and fabrication of thermoplastic prepregs that can be cured into thermoset composites.
Izabela Kurowska, Leire Unanue, Itxaso Calafel, Dorleta Otaegui, Jorge L. Olmedo‐Martínez, Lourdes Irusta, Daniel Vinagre, Nora Aranburu, Nerea Casado, Ibon Odriozola, David Mecerreyes   +10 more
wiley   +1 more source

A Radical Cascade with Double Intramolecular Hydrogen Atom Transfer for the Generation of Bisfunctionalized Cyclopentanes from Linear Alkynes

Angewandte Chemie, EarlyView.
A radical cascade process involving the activation of two aliphatic C–H bonds in a series of five elementary steps converts readily available terminal alkynes into functionalized cyclopentylmethyl arylsulfones. The methodology delivers flexible synthetic intermediates and was applied to the preparation of diquinanes and triquinanes possessing a rare ...
Lise Benoist, Éléonore Barbier, Mariam Sangare, Philippe Renaud, Fabrice Dénès   +4 more
wiley   +2 more sources

Storing the wisdom: chemical concepts and chemoinformatics [PDF]

, 2018
The purpose of the paper is to examine the nature of chemical concepts, and the ways in which they are applied in chemoinformatics systems. An account of concepts in philosophy and in the information sciences leads to an analysis of chemical concepts ...
David Bawden
core   +1 more source

Synthesis of Functionalized Homoallylic Alcohols via a Salt‐Free Three‐Component Nickel‐Catalyzed Coupling Reaction

Advanced Synthesis &Catalysis, EarlyView.
A nickel catalyzed three‐component coupling reaction between an aldehyde, a secondary amine, and butadiene allows a straightforward access to 5‐aminopent‐3‐en‐1‐ol scaffolds according to a salt‐free process. Key steps are oxidative coupling reaction between one aldehyde, one butadiene on a low valent nickel precursor, and the nucleophilic attack of a ...
Anthony Saint Pol, Maxime Roger, Alexis Mifleur, Pauline Loxq, Laëtitia Chausset‐Boissarie, Aurélien Béthegnies, Maël Penhoat, Isabelle Suisse, Mathieu Sauthier   +8 more
wiley   +1 more source

Nonheme Fe Enzyme‐Catalyzed Enantiodivergent Nitrogen Migration: Directed Evolution and Computational Study of Isopenicillin N Synthases for Biocatalytic Synthesis of Arylglycines

Angewandte Chemie, EarlyView.
Nonheme Fe enzyme isopenicillin N synthase was reprogrammed and evolved as an efficient nitrogen migratase IPNSNim, converting diverse azanyl esters to valuable l‐arylglycines with up to 16 000 TTN and 97:3 e.r. IPNSNim and ACCONim allowed enantiodivergent preparation of both l‐ and d‐arylglycines.
Ken Lin, Liu‐Peng Zhao, Shengchun Wang, Huichong Liu, Yu Zhang, Binh Khanh Mai, Peng Liu, Yang Yang   +7 more
wiley   +2 more sources

Engineering of an Ancestral McbA with Enhanced Domain Mobility Extends Biocatalytic Amide Synthesis Scope

Advanced Synthesis &Catalysis, EarlyView.
We show how engineered ancestral amide bond synthetases (ABSs) together with cofactor recycling using a single polyphosphate kinase paves the way for chemoenzymatic synthesis of pharmacophores. The figure illustrates how ancestral ABS has a more flexible C‐terminal domain, which is associated with enhanced catalytic performance and expanded amine scope.
Elisabeth Söderberg, Marianne R. Molenaar, Katarzyna Zaczyk, Magnus Johansson, Martin A. Hayes, Per‐Olof Syrén   +5 more
wiley   +1 more source

A Precisely Bromo‐Functionalized [9]Cycloparaphenylene as a Platform for Late‐Stage Multisite π‐Extension Toward Chiral Nanohoops

Angewandte Chemie, EarlyView.
Precisely synthesized hexabrominated [9]cycloparaphenylene (CPP), accessed by a gold‐mediated method, enables efficient multisite post‐functionalization through cross‐coupling reactions. Late‐stage π‐extension on the CPP framework successfully affords armchair‐type chiral nanohoops exhibiting strong circularly polarized luminescence (|glum| = 0.100 ...
Naoya Kinoshita, Nanami Kotani, Masaya Sugiura, Kotaro Matsumura, Daisuke Sakamaki, Daiki Tauchi, Masashi Hasegawa, Hidetoshi Kawai, Yoshitaka Tsuchido   +8 more
wiley   +2 more sources