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6 results for “noncovalent interaction”
Fig. 6 in Theoretical study on the free radical scavenging potency and mechanism of natural coumestans: Roles of substituent, noncovalent interaction and solvent
Fig. 6. The optimized structures, imaginary frequencies (Þ) and the main parameters of TS for WEL with HOO• radical in water phase (distances and angles are given in angstroms and degree). COU–H → COU + H+ (3.1) • Data availability COU → COU + e (3.2)
Fig. 3 in Theoretical study on the free radical scavenging potency and mechanism of natural coumestans: Roles of substituent, noncovalent interaction and solvent
Fig. 3. NCI plots of 5-O• radical for DMW (left), AUR (center) and FLC (right). Blue regions refer to strong attractive interactions, green regions refer to weak dispersion-based interactions, and red regions refer to repulsive interactions (isovalue = 0.7). (For interpretation of the references to colour in this figure legend, the reader is referred to the Web version of this article.)
Fig. 5 in Theoretical study on the free radical scavenging potency and mechanism of natural coumestans: Roles of substituent, noncovalent interaction and solvent
Fig. 5. Energy diagram of the fHAT reaction between WEL and HOO• radical in water.
Fig. 1 in Theoretical study on the free radical scavenging potency and mechanism of natural coumestans: Roles of substituent, noncovalent interaction and solvent
Fig. 1. Basic structure of coumestans (coumestan) and its analogues.
Fig. 4 in Theoretical study on the free radical scavenging potency and mechanism of natural coumestans: Roles of substituent, noncovalent interaction and solvent
Fig. 4. Quantitative analysis of electrostatic potential (ESP) surface (left) and ESP maps (right) of 5-O• radical of DMW, AUR and FLC (blue, positive potential; red, negative potential). (For interpretation of the references to colour in this figure legend, the reader is referred to the Web version of this article.)
Fig. 2 in Theoretical study on the free radical scavenging potency and mechanism of natural coumestans: Roles of substituent, noncovalent interaction and solvent
Fig. 2. Molecular structure and atomic numbering of the studied natural coumestans.
ScienceDex guides
Understand access before you commit
These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.