Pseudo-Jahn-Teller origin of the low barrier hydrogen bond in N2H7+ [PDF]
The Journal of Chemical Physics, 2008 The microscopic origin and quantum effects of the low barrier hydrogen bond (LBHB) in the proton-bound ammonia dimer cation N(2)H(7) (+) were studied by means of ab initio and density-functional theory (DFT) methods.
Pablo García‐Fernández +5 more
semanticscholar +7 more sources
Low-barrier hydrogen bond in photoactive yellow protein [PDF]
Proceedings of the National Academy of Sciences, 2009 Low-barrier hydrogen bonds (LBHBs) have been proposed to play roles in protein functions, including enzymatic catalysis and proton transfer. Transient formation of LBHBs is expected to stabilize specific reaction intermediates. However, based on experimental results and theoretical considerations, arguments against the importance of LBHB in proteins ...
Shigeo Yamaguchi +7 more
semanticscholar +6 more sources
Breaking the low barrier hydrogen bond in a serine protease [PDF]
Protein Science, 1999 AbstractThe serine protease subtilisin BPN' is a useful catalyst for peptide synthesis when dissolved in high concentrations of a water‐miscible organic co‐solvent such as N, N‐dimethylformamide (DMF). However, in 50% DMF, the kcat for amide hydrolysis is two orders of magnitude lower than in aqueous solution.
Richard Kidd +5 more
semanticscholar +5 more sources
Absorption wavelength along chromophore low-barrier hydrogen bonds
iScience, 2022 Summary: In low-barrier hydrogen bonds (H-bonds), the pKa values for the H-bond donor and acceptor moieties are nearly equal, whereas the redox potential values depend on the H+ position. Spectroscopic details of low-barrier H-bonds remain unclear. Here,
Masaki Tsujimura +3 more
doaj +3 more sources
Low-Barrier Hydrogen Bond Determines Target-Binding Affinity and Specificity of the Antitubercular Drug Bedaquiline. [PDF]
ACS Med Chem Lett, 2023 Słabońska J +3 more
europepmc +4 more sources
Release of a Proton and Formation of a Low-Barrier Hydrogen Bond between Tyrosine D and D2-His189 in Photosystem II. [PDF]
ACS Phys Chem Au, 2022 Mandal M, Saito K, Ishikita H.
europepmc +2 more sources
Low Barrier Hydrogen Bond Is Absent in the Catalytic Triads in the Ground State but Is Present in a Transition-state Complex in the Prolyl Oligopeptidase Family of Serine Proteases [PDF]
Journal of Biological Chemistry, 1997 High frequency proton NMR spectra for two members of the prolyl oligopeptidase class of serine proteases, prolyl oligopeptidase and oligopeptidase B, showed that resonances corresponding to the active center histidine Nδ1H and Nε2H generally observed in ...
Ara Kahyaoglu +6 more
openalex +2 more sources
Synthesis of Monothiacalix[4]arene Using the Fragment Condensation Approach [PDF]
MoleculesThe article describes a simple and scalable preparation of 2-monothiacalix[4]arene 7, the simplest representative of the mixed-bridged (CH2 and S) calix[4]arenes.
Daniel Kortus +7 more
doaj +2 more sources
Proceedings of the National Academy of Sciences of the United States of America, 1996 Qian Zhao +3 more
openalex +2 more sources