Hydrogen-Bonding Interaction Regulates Photoisomerization of a Single-Bond-Rotation Locked Photoactive Yellow Protein Chromophore in Protein [PDF]
, 2020 We have employed the QM(CASPT2//CASSCF)/MM method to explore the excited-state isomerization and decay mechanism of a single-bond-rotation locked photoactive yellow protein (PYP) chromophore in wild-type and mutant proteins.
Ganglong Cui (1329708) +4 more
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On the electronic nature of low-barrier hydrogen bonds in enzymatic reactions [PDF]
Proceedings of the National Academy of Sciences, 1998 The electronic nature of low-barrier hydrogen bonds (LBHBs) in enzymatic reactions is discussed based on combined low temperature neutron and x-ray diffraction experiments and on high levelab initiocalculations by using the model substrate benzoylacetone.
Schiøtt, Birgit; id_orcid 0000-0001-9937-1562 +4 more
openaire +3 more sources
Expression, purification and characterization of the HIV-1 coreceptor CCR5 and its ligand RANTES and high-pressure NMR investigation of hydrogen bonds in biomolecules [PDF]
, 2010 Nuclear magnetic resonance spectroscopy is a very versatile technique for the investigation of biomolecular structures and dynamics. In this thesis, solution and solid state NMR methods have been applied to study a membrane protein and its interactions ...
Nisius, Lydia
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Effect of hydrogen bonding and complexation with metal ions on the fluorescence of luotonin A [PDF]
, 2013 Fluorescence characteristics of a biologically active natural alkaloid, luotonin A (LuA), were studied by steady-state and time-resolved spectroscopic methods.
Biczók, László, Miskolczy, Zsombor
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Ab Initio QM/MM Study of the Citrate Synthase Mechanism. A Low-Barrier Hydrogen Bond Is not Involved [PDF]
, 2016 Ab Initio QM/MM Study of the Citrate Synthase Mechanism.
Martin Karplus (28062) +2 more
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Hydrogen-Bond-Induced Emission of Carbon Dots for Wash-Free Nucleus Imaging [PDF]
, 2019 Carbon dots (CDs) are emerging as powerful tools for biosensing and bioimaging because of their intrinsic properties such as abundant precursors, facile synthesis, high biocompatibility, low cost, and particularly robust tunability and stability. In this
Xiaobing Zhang (12137) +10 more
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Low-Barrier Hydrogen Bonds in Negative Thermal Expansion Material H 3 [Co(CN) 6 ] [PDF]
, 2019 The covalent nature of the low-barrier N−H−N hydrogen bonds in the negative thermal expansion material H 3 [Co(CN) 6 ] has been established by using a combination of X-ray and neutron diffraction electron density analysis and theoretical calculations ...
Sist, Mattia +11 more
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Nature Communications, 2023 Electrocatalytic urea synthesis is an emerging alternative technology to the traditional energy-intensive industrial urea synthesis protocol. Novel strategies are urgently needed to promote the electrocatalytic C–N coupling process and inhibit the side ...
Yilong Zhao +9 more
doaj +1 more source
Hydrogen-Bond-Assisted Symmetry Breaking in a Network of Chiral Metal-Organic Assemblies. [PDF]
, 2019 Herein we elucidate the interplay of chiral, chelate, solvent, and hydrogen-bonding information in the self-assembly of a series of new three-dimensional metal-organic architectures.
Patrick Pröhm (6239552) +4 more
core +2 more sources
Hydrogen in Nominally Anhydrous Crustal Minerals [PDF]
, 2003 Systematic infrared and nuclear magnetic resonance investigations of common crustal minerals were undertaken to better understand the geologic significance of minor components of structural hydrous species within these nominally anhydrous minerals ...
Johnson, Elizabeth Ann
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