Results 71 to 80 of about 2,329,162 (396)

Hydrogen-bonding interactions in the crystalline-phase structures of cinnamic acid derivatives [PDF]

, 1999
Secondary interactions responsible for the crystalline-phase structures of various cinnamic acids and cinnamic acid esters drawn from the Cambridge Structural Database were studied with the help of the Cerius package implemented on an SGI workstation ...
Pálinkó, István
core   +1 more source

A model for the hydrogen bond [PDF]

Proceedings of the National Academy of Sciences, 1975
A model of the linear hydrogen bond has been devised which is characterized by three physical parameters of the isolated electron donor and proton donor molecules: μ A-H , the bond dipole moment; Δ I , the difference in ionization potential between that of the electron donor and the ...
openaire   +3 more sources

Elucidation of interface interactions between a dehydratase domain and an acyl carrier protein in cremimycin polyketide synthase

FEBS Letters, EarlyView.
In modular polyketide synthases, the dehydratase (DH) domain catalyzes the dehydration reaction of the β‐hydroxyacyl unit attached to the cognate acyl carrier protein (ACP) domain. However, it is unclear how DH interacts with ACP during the reaction. In this study, we identified DH–ACP interface residues, providing the first detailed insights into DH ...
Kaede Kotagiri, Haruka Tachibana, Daisuke Kawasaki, Taichi Chisuga, Toma Kashima, Shinya Fushinobu, Fumitaka Kudo, Tadashi Eguchi, Akimasa Miyanaga   +8 more
wiley   +1 more source

Raman Spectroscopy for the Competition of Hydrogen Bonds in Ternary (H₂O–THF–DMSO) Aqueous Solutions

Molecules, 2019
The effects of hydrogen bonds on the molecular structure of water-tetrahydrofuran (H2O−THF), water-dimethyl sulfoxide (H2O−DMSO), and water-tetrahydrofuran-dimethyl sulfoxide (H2O−THF−DMSO) in binary aqueous solutions and ternary ...
Shiliang Liu, Mingzhe Zhang, Baokun Huang, Nannan Wu, Shunli Ouyang   +4 more
doaj   +1 more source

A double-deletion method to quantifying incremental binding energies in proteins from experiment. Example of a destabilizing hydrogen bonding pair [PDF]

, 2004
The contribution of a specific hydrogen bond in apoflavodoxin to protein stability is investigated by combining theory, experiment and simulation. Although hydrogen bonds are major determinants of protein structure and function, their contribution to ...
Ben-Tal, Blaber, Branden, Brooks, Carter, Creamer, Creamer, Desiraju, Eisenhaber, Eriksson, Essmann, Feller, Fernandez-Recio, Fernando Falo, Fersht, Fersht, Fersht, Fillat, Fukuyama, Genzor, Genzor, Guerois, Honig, Horovitz, Hubbard, Irun, Irun, Javier Sancho, Jeffrey, Jon López-Llano, Jorgensen, Koehl, Koradi, Krivov, Langdon, Lee, Lesk, Lostao, Lostao, Luis A. Campos, Luisi, Ma, Maldonado, Maldonado, Maldonado, Matsumura, Myers, Pace, Paterlini, Perl, Pinker, Rao, Richards, Rickaert, Sanchez-Ruiz, Santiago Cuesta-López, Santoro, Schiffer, Sharp, Shi, Smith, Vajda, Vajda, Weng, Xie, Yang, Yi, Zagrovic, Zielenkiewicz   +68 more
core   +3 more sources

Functional variation among LPMOs revealed by the inhibitory effects of cyanide and buffer ions

FEBS Letters, EarlyView.
This study addresses the inhibition of lytic polysaccharide monooxygenases (LPMOs) by cyanide and explains how and why the magnitude of observed inhibitory effects depends on the way LPMO reactions are setup and on the type of LPMO. Enzymes known as lytic polysaccharide monooxygenases (LPMOs) are mono‐copper polysaccharide‐degrading peroxygenases that ...
Ole Golten, Lorenz Schwaiger, Zarah Forsberg, Kelsi R. Hall, Anton A. Stepnov, Tom Z. Emrich‐Mills, Iván Ayuso‐Fernández, Morten Sørlie, Roland Ludwig, Åsmund Kjendseth Røhr, Vincent G. H. Eijsink   +10 more
wiley   +1 more source

Ethyl 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetate

IUCrData, 2017
The five-membered ring of the title compound, C19H18N2O4, adopts an envelope conformation. In the crystal, pairwise N—H...O hydrogen bonds form centrosymmetric dimers which are connected into chains parallel to the c-axis direction by pairwise C—H...O ...
Youssef Ramli, Rachida Akrad, Walid Guerrab, Jamal Taoufik, Mhamed Ansar, Joel T. Mague   +5 more
doaj   +1 more source

Syntheses and crystal structures of 2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid and 2,2,5-trimethyl-1,3-dioxane-5-carboxylic anhydride

Acta Crystallographica Section E: Crystallographic Communications, 2020
In 2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid, C8H14O4, the carboxyl group occupies an equatorial position on the 1,3-dioxane ring. In the crystal, O—H...O hydrogen bonds form chains of molecules, which are linked into a three-dimensional network by C—
Joseph A. Giesen, Scott M. Grayson, Joel T. Mague   +2 more
doaj   +1 more source

2,3-Dimethoxy-10-oxostrychnidinium 2-(2,4,6-trinitroanilino)benzoate monohydrate: a 1:1 proton-transfer salt of brucine with o-picraminobenzoic acid [PDF]

, 2011
In the structure of the 1:1 proton-transfer compound of brucine with 2-(2,4,6-trinitroanilino)benzoic acid C23H27N2O4+ . C13H7N4O8- . H~2~O, the brucinium cations form the classic undulating ribbon substructures through overlapping head-to-tail ...
Altomare, Bernstein, Białońska, Białońska, Białońska, Białońska, Crocker, Dijksma, Farrugia, Gould, Graham Smith, Oshikawa, Peerdeman, Sada, Sheldrick, Smith, Smith, Smith, Smith, Smith, Spek, Urs D. Wermuth   +21 more
core   +2 more sources

Occurrence of Chiral Nanostructures Induced by Multiple Hydrogen Bonds.

Journal of the American Chemical Society, 2019
Developing artificial systems to mimic the emergence of chirality is of vital importance in better understanding the mysterious origin of natural homochirality and guiding the design of advanced chiroptical materials.
Pengyao Xing, Yongxin Li, Shixin Xue, Soo Zeng Fiona Phua, ChenDi Ding, Hongzhong Chen, Yanli Zhao   +6 more
semanticscholar   +1 more source