Journal: Nature Communications

Article Title: Self-encapsulated ionic fibers based on stress-induced adaptive phase transition for non-contact depth-of-field camouflage sensing

doi: 10.1038/s41467-024-44848-5

Figure Lengend Snippet: a Schematic illustration about se-HICFs as self-powered sensor based on the principles of electrostatic induction ( b ) The working principle of se-HICFs for noncontact sensing. c The potential distribution during the se-HICFs sensing moving object simulated by the COMSOL software based on finite-element simulation. d The V oc of se-HICFs with different diameters in sensing the test object. e The V oc of se-HICFs in different sensing distance with the test object. f The V oc of se-HICFs when sensing test objects with different sizes. g The V oc of se-HICFs when sensing the PET film with area of 5 ⨯ 5 cm 2 with frequency from 0.5 to 2.5 Hz. h The V oc of se-HICFs when sensing different test objects with various materials. i The V oc of se-HICFs in diameter of 50 μm and 200 μm when sensing a PET film within 60 days. (The se-HICFs length is 10 cm, the PET film is in size of 5 ⨯ 5 cm 2 , the loading distance is 8 cm and the reference distance is 1 cm). The error bar for each data point in ( d – i ) is standard deviation calculated based on 3 parallel measurements.

Article Snippet: The corresponding COMSOL simulation schematic diagram further confirmed the above non-contacting sensing principle through the calculated potential distribution (Fig. ) .

Techniques: Software, Standard Deviation

Journal: Molecules

Article Title: Binding and Dynamics Demonstrate the Destabilization of Ligand Binding for the S688Y Mutation in the NMDA Receptor GluN1 Subunit

doi: 10.3390/molecules28104108

Figure Lengend Snippet: 2D interactions diagram of ligands bound to GluN1 LBD. Hydrophobic residues are shown in green, polar residues are shown in cyan, positively charged residues are shown in purple, and negatively charged residues are shown in orange. Hydrogen bonds are shown as purple arrows, π-cation interactions are shown as red lines, and salt bridges are shown as red-blue lines. The tip of the tear-drop shape points towards the side chain of the residue; dots on a connection indicate a residue not making contact with the ligand. ( A ) Glycine bound to the wild-type GluN1 LBD ( B ) D-serine bound to the wild-type GluN1 LBD. ( C ) Glycine bound to the S688Y GluN1 LBD ( D ) D-serine bound to the S688Y GluN1 LBD. Figure generated using the ligand interaction visualization module in Maestro 2021.4 [ , ].

Article Snippet: Graphs were generated using the Simulation Interactions Diagram module in Desmond 2018-4 [ , ] and GraphPad Prism version 9.5.0 for MacOS, GraphPad Software, San Diego, CA, USA.

Techniques: Residue, Generated

Journal: Molecules

Article Title: Binding and Dynamics Demonstrate the Destabilization of Ligand Binding for the S688Y Mutation in the NMDA Receptor GluN1 Subunit

doi: 10.3390/molecules28104108

Figure Lengend Snippet: Averaged triplicate GluN1 LBD-ligand interactions of the 1 µs simulations. Note that figure scales are different to improve the visibility of the data. Hydrogen bonds are defined as an H-Acceptor distance less than 2.8 Å and a Donor-H-Acceptor angle greater than 120. Hydrophobic interactions include pi-pi stacking, pi-cation interactions, and van der Waals interactions within 3.6 Å of ligand. Ionic interactions are defined as charged interactions within 3.6 Å of the ligand. Water bridges are defined as H-Acceptor distances less than 2.7 Å. Hydrogen bonds are shown in green, hydrophobic interactions are shown in lilac, ionic interactions are shown in magenta, and water bridges are shown in blue. For residues with more than one type of interaction, the interaction fraction can exceed 1. ( A ) Glycine bound to wild-type GluN1 LBD, ( B ) D-serine bound to wild-type GluN1 LBD, ( C ) Glycine bound to S688Y GluN1 LBD, ( D ) D-serine bound to S688Y GluN1 LBD. Graphs were generated using the Simulation Interactions Diagram module of Maestro 2021.4 [ , ].

Article Snippet: Graphs were generated using the Simulation Interactions Diagram module in Desmond 2018-4 [ , ] and GraphPad Prism version 9.5.0 for MacOS, GraphPad Software, San Diego, CA, USA.

Techniques: Generated