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The recombinant, tag-free Murl was purified by an innovative affinity chromatography method using l-glutamic acid as the relevant docking group, followed by an anion exchange chromatography step (purification factor 9.2, yield 11%).
Only in case of the thiolate docking group, a saturating hydrogen was added to the sulfur.
The molecules are assumed to bond to the flat metal surface via a thiolate group, which will be referred to as the docking group in the following.
(18) They are substituted at the two terminal positions (4 and 4′) by a docking group (directed toward the electrode) and a head group (pointed at the OSC).
The pyridine docking group gives rise to the largest work function decrease, followed by the isocyanide (CN−) and the thiolate (S−).
The magnitude of ΔΦ2P in all three cases is independent of the docking group, in sharp contrast to the situation when the metal is present.
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It has been shown that the net effect of head and docking groups is essentially additive.
(20) Independently varying the docking groups and head group substituents, thus, provides a handle for tuning the work function of the metal/SAM system over a wide range.
No differences were found between ADMS docking groups at baseline; however, by the 12-month interview there were significantly different scores for the BG checking subsection (P = 0.03).
The latter are largely localized in the docking-group region and on the top Au layers, resulting in the bond dipole being tail group-independent at full coverage.
To overcome difficulties where the binding pocket conformation is unsuitable for docking, our group developed a new simple and fast approach to simulate the induced-fit conformational changes of protein structures upon binding.
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