Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes
نویسندگان
چکیده
منابع مشابه
Short hydrogen bonds in proteins.
Short hydrogen bonds are present in many chemical and biological systems. It is well known that these short hydrogen bonds are found in the active site of enzymes and aid enzyme catalysis. This study aims to systematically characterize all short hydrogen bonds from a nonredundant dataset of protein structures. The study has revealed that short hydrogen bonds are commonly found in proteins and a...
متن کاملQuantitative probing of subtle interactions among H-bonds in alpha hydroxy carboxylic acid complexes.
Hydrogen (H) bonds are of fundamental importance in a wide range of molecular sciences. While the study of two-center H-bonding AH is well advanced, much remains to be learned in a quantitative and definitive manner for complexes with multiple H-bonds. Exemplary cases are in the category of alpha hydroxy carboxylic acids, i.e., the complexes of glycolic acid with water and formic acid. In glyco...
متن کاملVariable-temperature neutron diffraction studies of the short, strong hydrogen bonds in the crystal structure of pyridine-3,5-dicarboxylic acid.
Pyridine-3,5-dicarboxylic acid has been studied by single-crystal neutron diffraction at 15 and 296 K. Pyridine-3,5-dicarboxylic acid, in which the carboxylic acid protons have been replaced by deuterons, has also been studied at 15, 150 and 296 K. The protonated structure contains a short N...H...O hydrogen bond [N...O 2.523 (2) Angstrom at 15 K]. Temperature-dependent proton migration occurs ...
متن کاملScoring Docked Protein Complexes with Hydrogen Bonds
Finding the structure of proteins and protein-protein complexes is an important problem in the field of computational biology. Determining protein structures can be done successfully with various experimental methods like x-ray crystallography, but determining protein-protein structures experimentally is more difficult. Instead, these structures are frequently predicted computationally. One app...
متن کاملH2XP:OH2 Complexes: Hydrogen vs. Pnicogen Bonds
A search of the Cambridge Structural Database (CSD) was carried out for phosphine-water and arsine-water complexes in which water is either the proton donor in hydrogen-bonded complexes, or the electron-pair donor in pnicogen-bonded complexes. The range of experimental P-O distances in the phosphine complexes is consistent with the results of ab initio MP2/aug’-cc-pVTZ calculations carried out ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: CrystEngComm
سال: 2014
ISSN: 1466-8033
DOI: 10.1039/c4ce00587b