Inelastic neutron scattering and DFT study of 2-amino-3-hydroxymethyl-1,3-propane diol (TRIS)

Improved functionality of antibody-colloidal gold conjugates with the aid of lipoamide-grafted N-[tris(hydroxymethyl)methyl]acrylamide polymers

“…This is likely due to the bulkiness and the highly hydrophilic nature of the TRIS head group, which limits the intra-molecular interactions between the protein and the polymer to hydrogen bonding interactions. Arguably, the hydrogen bonding with biomolecules is reduced by a high degree of hydrogen bonding with water and within the polymer itself [22]. Thus, these polymers can be considered as an interesting alternative for other types of non-fouling polymers based on zwitterionic phosphatidyl choline or polyethylene glycol moieties [23], or on hyperbranched polyglycerols [24].…”

Inelastic neutron scattering and DFT study of potassium hydrogen phthalate

“…Such a combined INS/DFT approach has been successfully applied in the past to several crystals of hydrogen bonded systems [13][14][15][16][17] but not to K-H-pht [18]. Additionally, one-dimensional potential of the proton moving along the short hydrogen bond is mapped in the current work, suggesting a large anharmonicity of the antisymmetric OHO stretching vibration.…”

Low temperature powder diffraction and DFT solid state computational study of hydrogen bonding in NH4VO3

“…Because such a value is comparable to the accuracy of the calculation method (see e.g. [31,32])], the coordinates of the atoms appearing in the Pbcm in the 4d (4c) special positions were set to the respective ideal values. The optimised atomic coordinates, bond distances and angles and the geometry of the N-H…O hydrogen bonds are summarized in tables 2, 3 and 4, representative projections of the structure are in figure 3 and 4.…”