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Efficient ring perception for the Chemistry Development Kit [PDF]
Journal of Cheminformatics, 2014 The Chemistry Development Kit (CDK) is an open source Java library for manipulating and processing chemical information. A key aspect in handling chemical structures is the determination of the chemical rings. The rings of a structure are used areas including descriptors, stereochemistry, similarity, screening and atom typing. The CDK includes multiple
Christoph Steinbeck, John W. May
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Ringing the changes in chemistry [PDF]
Nature, 1985 Comprehensive Heterocyclic Chemistry: The Structure, Reactions, Synthesis and Uses of Heterocyclic Compounds. Chairmen of the editorial board Alan R. Katritzky and Charles W. Rees. Pergamon: 1984. Eight volumes. 1375, 2200.
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The Cu(OTf)2 catalysed microwave assisted synthesis of a new scaffold, 7-aryl-7,8-dihydropyrido[4,3-c]pyridazin-5(6H)-one [PDF]
, 2014 The synthesis of novel 7-aryl-7,8-dihydropyrido[4,3-c]pyridazin-5(6H)-ones is described including a one-step Mannich-type reaction followed by intramolecular ring closure of ethyl 3-methylpyridazine-4- carboxylate and aldimines, catalysed by the Lewis ...
De Coen, Laurens +5 more
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Trace Amine-Associated Receptor 1 Trafficking to Cilia of Thyroid Epithelial Cells
Cells, 2021 Trace amine-associated receptor 1 (rodent Taar1/human TAAR1) is a G protein-coupled receptor that is mainly recognized for its functions in neuromodulation.
Maria Qatato +8 more
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Pulse Discharging of Sodium-Oxygen Batteries to Enhance Cathode Utilization
Energies, 2020 Using sodium metal in sodium-oxygen batteries with aprotic electrolyte enables achieving a very high theoretical energy density. However, the promised values for energy density and capacity are not met in practical studies yet due to poor utilization of ...
Daniel Langsdorf +4 more
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Continuous flow synthesis of azobenzenes via Baeyer–Mills reaction
Beilstein Journal of Organic Chemistry, 2022 Azobenzene, as one of the most prominent molecular switches, is featured in many applications ranging from photopharmacology to information or energy storage.
Jan H. Griwatz +2 more
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MF–NF Treatment Train for Pig Manure: Nutrient Recovery and Reuse of Product Water
Membranes, 2022 The livestock industry negatively impacts the environment by producing high organic and mineral loaded manure and wastewater. On the contrary, manure is also considered as the major focal point of resource recovery.
Prantik Samanta +3 more
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Molecular line emission in NGC1068 imaged with ALMA: II. The chemistry of the dense molecular gas [PDF]
, 2014 We present a detailed analysis of ALMA Bands 7 and 9 data of CO, HCO+, HCN and CS, augmented with Plateau de Bure Interferometer (PdBI) data of the ~ 200 pc circumnuclear disk (CND) and the ~ 1.3 kpc starburst ring (SB ring) of NGC~1068, a nearby (D = 14
Aalto, S. +21 more
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CHIMIA, 2017 By taking inspiration from the fascinating biosynthetic machinery that creates aromatic polyketides, our group investigates analogous reactions catalyzed by small molecules. We are particularly captivated by the prospects of intramolecular aldol
Vincent C. Fäseke +4 more
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Exploring cocoa bean fermentation mechanisms by kinetic modelling
Royal Society Open Science, 2022 Compared with other fermentation processes in food industry, cocoa bean fermentation is uncontrolled and not standardized. A detailed mechanistic understanding can therefore be relevant for cocoa bean quality control.
Mauricio Moreno-Zambrano +2 more
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