Weak hydrogen bonding. Part 1. Neutron diffraction data of amino acid Cα–H suggest lengthening of the covalent C–H bond in C–H ⋯ O interactions

1995 ◽  
pp. 1315-1319 ◽  
Author(s):  
Thomas Steiner
Keyword(s):  
Hydrogen Bonding ◽  
Amino Acid ◽  
Neutron Diffraction ◽  
Diffraction Data ◽  
Neutron Diffraction Data ◽  
Weak Hydrogen Bonding

scholarly journals Glycyl-L-alanine: a multi-temperature neutron study

2014 ◽  
Vol 70 (10) ◽  
pp. 949-952 ◽  
Author(s):  
Silvia C. Capelli ◽  
Hans-Beat Bürgi ◽  
Sax A. Mason ◽  
Dylan Jayatilaka
Keyword(s):  
Hydrogen Bonding ◽  
Neutron Diffraction ◽  
Diffraction Data ◽  
Neutron Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Anisotropic Displacement Parameters

Neutron diffraction data have been collected at 12, 50, 150 and 295 K for the dipeptide glycyl-L-alanine, C5H10N2O3, in order to obtain accurate positional and anisotropic displacement parameters for the H atoms. The values of these parameters serve as a benchmark for assessing the equivalent parameters obtained from a so-called Hirshfeld-atom refinement of X-ray diffraction data described elsewhere [Capelliet al.(2014).IUCrJ,1, 361–379]. The flexibility of the glycyl-L-alanine molecule in the solid and the hydrogen-bonding interactions as a function of temperature are also considered.

A neutron-diffraction study of potassium bromide

1973 ◽  
Vol 137 (4) ◽  
Author(s):  
G. E. Bacon ◽  
D. H. Titterton ◽  
C. R. Walker
Keyword(s):  
Neutron Diffraction ◽  
Diffraction Data ◽  
Diffuse Scattering ◽  
Scattering Amplitude ◽  
Coherent Scattering ◽  
Neutron Diffraction Study ◽  
Potassium Bromide ◽  
Neutron Diffraction Data ◽  
Thermal Diffuse Scattering ◽  
Thermal Diffuse

AbstractNeutron-diffraction data have been collected from a KBr single crystal. 380 reflections were measured, reducing to 23 when averaged over equivalents. Data were corrected for extinction and thermal diffuse scattering and refinement yielded a neutron coherent scattering amplitude

Extracting fluid structures from neutron diffraction data

1995 ◽  
Vol 236 (1-2) ◽  
pp. 1-7 ◽  
Author(s):  
Haluk Resat ◽  
Enci Zhong ◽  
Harold L. Friedman
Keyword(s):  
Neutron Diffraction ◽  
Diffraction Data ◽  
Neutron Diffraction Data

Design of a novel Peltier-based cooling device and its use in neutron diffraction data collection of perdeuterated yeast pyrophosphatase

2010 ◽  
Vol 43 (5) ◽  
pp. 1113-1120 ◽  
Author(s):  
Esko Oksanen ◽  
François Dauvergne ◽  
Adrian Goldman ◽  
Monika Budayova-Spano
Keyword(s):  
Data Collection ◽  
Neutron Diffraction ◽  
Diffraction Data ◽  
Catalytic Mechanism ◽  
Inorganic Pyrophosphatase ◽  
Neutron Diffraction Data ◽  
Cooling Device ◽  
Data Set ◽  
X Ray ◽  
X Ray Crystallography

H atoms play a central role in enzymatic mechanisms, but H-atom positions cannot generally be determined by X-ray crystallography. Neutron crystallography, on the other hand, can be used to determine H-atom positions but it is experimentally very challenging. Yeast inorganic pyrophosphatase (PPase) is an essential enzyme that has been studied extensively by X-ray crystallography, yet the details of the catalytic mechanism remain incompletely understood. The temperature instability of PPase crystals has in the past prevented the collection of a neutron diffraction data set. This paper reports how the crystal growth has been optimized in temperature-controlled conditions. To stabilize the crystals during neutron data collection a Peltier cooling device that minimizes the temperature gradient along the capillary has been developed. This device allowed the collection of a full neutron diffraction data set.

Low temperature neutron diffraction data for CeCo0.86Ge2

2005 ◽  
Vol 387 (1-2) ◽  
pp. L8-L10 ◽  
Author(s):  
A. Gil ◽  
B. Penc ◽  
J. Hernandez-Velasco ◽  
E. Wawrzyńska ◽  
A. Szytuła
Keyword(s):  
Low Temperature ◽  
Neutron Diffraction ◽  
Diffraction Data ◽  
Neutron Diffraction Data

Low Temperature Neutron Diffraction Data for CeCo0.86Ge2.

ChemInform ◽  
2005 ◽  
Vol 36 (15) ◽  
Author(s):  
A. Gil ◽  
B. Penc ◽  
J. Hernandez-Velasco ◽  
E. Wawrzynska ◽  
A. Szytula
Keyword(s):  
Low Temperature ◽  
Neutron Diffraction ◽  
Diffraction Data ◽  
Neutron Diffraction Data
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