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Such phase conformation was desired in electrocatalytic hydrogen evolution.
MD and DFT calculations indicate that an internal hydrogen bond helps to preorganize the solution phase conformation of (R)- 2 in a manner that is favorable for CREBBP bromodomain binding, resulting in high-affinity ligands.
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The histogram distribution analysis in Figure 4C (right panel) indicates that sphingolipids fall predominantly above the best fit line (97% in region 1), whereas glycerophospholipids are more broadly dispersed around the mobility-mass correlation (33% in region 1, 65% in region 2), and adopt denser gas phase conformations than sphingolipids.
In contrast, a much broader range of charge state ions was observed in the ESI-IMS-MS spectra of A8-35 solubilized Mhp1 and GalP, with more lowly charged species present, indicating the gas phase conformations of the proteins also contain more compact/folded species.
Analysis of the gas-phase conformation of the molecule indicates two low-energy theoretical conformers, one of which possesses the same intramolecular S O···S interaction observed in the experimental studies and the other an S O···H N intermolecular interaction.
c The chemical structure of a segment of a PFO chain in the β-phase conformation.
In contrast, a nonionic alkyl sugar detergent resisted micelle inversion, maintaining the solution-phase conformation of the protein.
Protein solution-phase conformation influences the charge state of a protein during the ESI process [ 144, 145].
This reinforces the idea that this H-bond plays a key role in determining the solution-phase conformation of (R)- 10.
CCS values were obtained for each isomer, which provides significant insight into isomeric gas-phase conformation(s) and their respective stabilities.
Comparison between the solution and gas phase results suggest that the FAD solution state distribution can be preserved in the gas phase and gas-phase conformation-friendly conditions can be induced using dopant gases.
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