3,377 research outputs found

    8-Phenyl-10-oxa-8-aza­tricyclo­[4.3.0.12,5]decane-7,9-dione

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    The reaction of aniline with norcantharidin produced the imide title compound, C14H13NO3, which shows no significant hydrogen bonds in the crystal structure. The dihedral angle between the phenyl and pyrrolidine rings is 48.48 (6)°

    4-(3,5-Dioxo-10-oxa-4-aza­tricyclo­[5.2.1.02,6]decan-4-yl)-10-oxa-4-aza­tricyclo­[5.2.1.02,6]decane-3,5-dione

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    In the title compound, C16H16N2O6, the dihedral angle between the two pyrrolidine rings is 79.38 (14)°

    Poly[bis­(1H-imidazole)(μ3-7-oxabicyclo­[2.2.1]heptane-2,3-dicarboxyl­ato)cadmium(II)]

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    The title compound, [Cd(C8H8O5)(C3H4N2)2]n, was synthesized by the reaction of 7-oxabicyclo­[2.2.1]heptane-2,3-dicarboxylic anhydride, cadmium acetate and imidazole. The CdII atom is seven-coordinated in a distorted penta­gonal-bipyramidal configuration by five O atoms from carboxyl­ate groups of three 7-oxabicyclo­[2.2.1]heptane-2,3-dicarboxylate ligands and two N atoms from two imidazole ligands. The crystal structure is stabilized by N—H⋯O and C—H⋯O hydrogen-bonding and C—H⋯π inter­actions

    Poly[bis­(1H-imidazole)bis­(μ2-1H-imidazolido)bis­(μ2-7-oxabicyclo­[2.2.1]heptane-2,3-dicarboxyl­ato)trizinc(II)]

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    The title polymer, [Zn3(C8H8O5)2(C3H3N2)2(C3H4N2)2]n, was formed by the reaction of zinc acetate with imidazole and 7-oxabicyclo­[2.2.1]heptane-2,3-dicarboxylic anhydride (norcan­tharidine). One of the two crystallographically unique ZnII atoms is four-coordinated by three N atoms of three imidazole ligands, two of which are deprotonated, and by one carboxyl­ate O atom of the demethyl­cantharate anion. The second ZnII atom is situated on an inversion centre and is six-coordinated by the bridging O atoms of two symmetry-related demethyl­cantharate anions and by four carboxyl­ate O atoms of the corresponding carboxyl­ate groups. The polymeric crystal structure is additionally stabilized by N—H⋯O hydrogen bonding between the imidazole ligands and carboxyl­ate O atoms

    catena-Poly[[diaqua­nickel(II)]-μ-7-oxabicyclo­[2.2.1]heptane-2,3-di­carboxyl­ato]

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    In the crystal structure of the title compound, [Ni(C8H8O5)(H2O)2]n, the NiII cation is in a Jahn–Teller-distorted octahedral coordination environment binding to two O atoms from water molecules, the bridging O atom of the bicycloheptane unit, two carboxylate O atoms from different carboxylate groups and one carboxylate O atom from a symmetry-related bridging ligand. The crystal structure is made up from layers propagating parallel to the bc plane

    Protocol for analyzing protein ensemble structures from chemical cross-links using DynaXL

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    Chemical cross-linking coupled with mass spectroscopy (CXMS) is a powerful technique for investigating protein structures. CXMS has been mostly used to characterize the predominant structure for a protein, whereas cross-links incompatible with a unique structure of a protein or a protein complex are often discarded. We have recently shown that the so-called over-length cross-links actually contain protein dynamics information. We have thus established a method called DynaXL, which allow us to extract the information from the over-length cross-links and to visualize protein ensemble structures. In this protocol, we present the detailed procedure for using DynaXL, which comprises five steps. They are identification of highly confident cross-links, delineation of protein domains/subunits, ensemble rigid-body refinement, and final validation/assessment. The DynaXL method is generally applicable for analyzing the ensemble structures of multi-domain proteins and protein-protein complexes, and is freely available at www.tanglab.org/resources

    Tris(1H-imidazole-κN 3)(7-oxabicyclo­[2.2.1]heptane-2,3-dicarboxyl­ato-κ3 O 2,O 3,O 7)cobalt(II) 3.35-hydrate

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    In the crystal structure of the title compound, [Co(C8H8O5)(C3H4N2)3]·3.35H2O, the central CoII ion is in a slightly distorted octa­hedral environment, coordinated by the bridg­ing O atom from the bicyclo­[2.2.1]heptane ligand, by two carboxyl­ate O atoms from two different carboxyl­ate groups and by three N atoms from imidazole ligands. Uncoordinated water mol­ecules, some of them disordered, are present in the crystal structure. In the crystal structure, mol­ecules are linked by O—H⋯O, N—H⋯O and O—H⋯N hydrogen-bonding inter­actions

    2,4-Dihydr­oxy-N′-(2-hydr­oxy-4-methoxy­benzyl­idene)benzohydrazide

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    In the title compound, C15H14N2O5, the dihedral angle between the two benzene rings is 4.3 (3)° and the mol­ecule adopts an E configuration with respect to the C=N bond. Intra­molecular O—H⋯N and N—H⋯O hydrogen bonds are observed. In the crystal structure, the mol­ecules are linked through inter­molecular N—H⋯O and O—H⋯O hydrogen bonds to form layers parallel to the ac plane

    Autonomous Crowdsensing: Operating and Organizing Crowdsensing for Sensing Automation

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    The precise characterization and modeling of Cyber-Physical-Social Systems (CPSS) requires more comprehensive and accurate data, which imposes heightened demands on intelligent sensing capabilities. To address this issue, Crowdsensing Intelligence (CSI) has been proposed to collect data from CPSS by harnessing the collective intelligence of a diverse workforce. Our first and second Distributed/Decentralized Hybrid Workshop on Crowdsensing Intelligence (DHW-CSI) have focused on principles and high-level processes of organizing and operating CSI, as well as the participants, methods, and stages involved in CSI. This letter reports the outcomes of the latest DHW-CSI, focusing on Autonomous Crowdsensing (ACS) enabled by a range of technologies such as decentralized autonomous organizations and operations, large language models, and human-oriented operating systems. Specifically, we explain what ACS is and explore its distinctive features in comparison to traditional crowdsensing. Moreover, we present the ``6A-goal" of ACS and propose potential avenues for future research
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