Solid-State 17O NMR of Unstable Acyl-Enzyme Intermediates: A Direct Probe of Hydrogen Bonding Interactions in the Oxyanion Hole of Serine Proteases

2016 ◽  
Vol 120 (43) ◽  
pp. 11142-11150 ◽  
Author(s):  
Aaron W. Tang ◽  
Xianqi Kong ◽  
Victor Terskikh ◽  
Gang Wu
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Serine Proteases ◽  
17O Nmr ◽  
Oxyanion Hole ◽  
Hydrogen Bonding Interactions ◽  
Enzyme Intermediates

The mechanochemical conversion of potassium coordination polymer nanostructures to interpenetrated sodium coordination polymers with halogen bond, metal–carbon and metal–metal interactions

CrystEngComm ◽  
2020 ◽  
Vol 22 (5) ◽  
pp. 888-894 ◽  
Author(s):  
Ashkan Kianimehr ◽  
Kamran Akhbari ◽  
Jonathan White ◽  
Anukorn Phuruangrat
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Coordination Polymer ◽  
Coordination Polymers ◽  
Halogen Bond ◽  
Metal Interactions ◽  
Polymer Nanostructures ◽  
Hydrogen Bonding Interactions ◽  
Metal Metal

Two new Na and K coordination polymers with halogen bond, metallophilic and hydrogen bonding interactions were synthesized. These two compounds were synthesized sonochemically and solid-state conversions of them to each other were investigated.

scholarly journals Intermolecular Non-Covalent Carbon-Bonding Interactions with Methyl Groups: A CSD, PDB and DFT Study

Molecules ◽  
2019 ◽  
Vol 24 (18) ◽  
pp. 3370 ◽  
Author(s):  
Tiddo J. Mooibroek
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Dft Calculations ◽  
Interaction Energy ◽  
Weak Interaction ◽  
Systematic Evaluation ◽  
Methyl Groups ◽  
Interaction Energies ◽  
Hydrogen Bonding Interactions ◽  
Carbon Bonding

A systematic evaluation of the CSD and the PDB in conjunction with DFT calculations reveal that non-covalent Carbon-bonding interactions with X–CH3 can be weakly directional in the solid state (P ≤ 1.5) when X = N or O. This is comparable to very weak CH hydrogen bonding interactions and is in line with the weak interaction energies calculated (≤ –1.5 kcal·mol−1) of typical charge neutral adducts such as [Me3N-CH3···OH2] (2a). The interaction energy is enhanced to ≤–5 kcal·mol−1 when X is more electron withdrawing such as in [O2N-CH3··O=Cdme] (20b) and to ≤18 kcal·mol−1 in cationic species like [Me3O+-CH3···OH2]+ (8a).

scholarly journals Hydrogen-Bonding Interactions in T-2 Toxin Studied Using Solution and Solid-State NMR

Toxins ◽  
2011 ◽  
Vol 3 (10) ◽  
pp. 1310-1331 ◽  
Author(s):  
Praveen Chaudhary ◽  
Roxanne A. Shank ◽  
Tony Montina ◽  
James T. Goettel ◽  
Nora A. Foroud ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Solid State Nmr ◽  
Hydrogen Bonding Interactions

Solid-State NMR Spectroscopic Studies of Propylphosphonic Acid Functionalized SBA-15 Mesoporous Silica: Characterization of Hydrogen-Bonding Interactions

2013 ◽  
Vol 2013 (13) ◽  
pp. 2350-2361 ◽  
Author(s):  
Nicolas Bibent ◽  
Thibault Charpentier ◽  
Sabine Devautour-Vinot ◽  
Ahmad Mehdi ◽  
Philippe Gaveau ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Mesoporous Silica ◽  
Solid State Nmr ◽  
Spectroscopic Studies ◽  
Hydrogen Bonding Interactions

Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence

CrystEngComm ◽  
2018 ◽  
Vol 20 (33) ◽  
pp. 4875-4887 ◽  
Author(s):  
B. M. P. Beebeejaun-Boodoo ◽  
R. Erasmus ◽  
M. Rademeyer
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Hydrogen Bonding Interactions ◽  
Solid State Fluorescence

The fluorescence behaviour and non-covalent aromatic- and hydrogen bonding interactions in a family of N-(4-picolinium)-1,8-naphthalimide tetrahalometallates are reported.

scholarly journals Redetermination of ammonium metavanadate

IUCrData ◽  
2018 ◽  
Vol 3 (8) ◽  
Author(s):  
Aarón Pérez-Benítez ◽  
Sylvain Bernès
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Single Crystal ◽  
Structural Data ◽  
Ammonium Cation ◽  
Ammonium Metavanadate ◽  
Starting Material ◽  
X Ray ◽  
Hydrogen Bonding Interactions

The crystal structure of ammonium metavanadate, NH4VO3, a compound widely used as a starting material for the synthesis of vanadium and polyoxidovanadate compounds, had been determined twice using single-crystal X-ray data [Syneček & Hanic (1954). Czech. J. Phys. 4, 120–129 (Weissenberg data); Hawthorne & Calvo (1977). J. Solid State Chem. 22, 157–170 (four-circle diffractometer data)]. Its structure is now redetermined at higher resolution using Ag Kα radiation, and the result is compared with the former refinements. Structural data for the polymeric [VO3]∞ chain remain unchanged, while more accurate parameters are obtained for the ammonium cation, improving the description of hydrogen-bonding interactions in the crystal structure.

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