3,377 research outputs found
8-Phenyl-10-oxa-8-azatricyclo[4.3.0.12,5]decane-7,9-dione
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
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)]
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)]
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]
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
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
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
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
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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