scholarly journals Room temperature crystallography of human acetylcholinesterase bound to a substrate analogue 4K-TMA: Towards a neutron structure

2021 ◽  
Vol 3 ◽  
pp. 206-215
Author(s):  
Oksana Gerlits ◽  
Matthew P. Blakeley ◽  
David A. Keen ◽  
Zoran Radić ◽  
Andrey Kovalevsky
Keyword(s):  
Room Temperature ◽  
Substrate Analogue ◽  
Neutron Structure

Neutron diffraction studies of the actinide oxides I. Uranium dioxide and thorium dioxide at room temperature

1963 ◽  
Vol 274 (1356) ◽  
pp. 122-133 ◽  
Keyword(s):  
Room Temperature ◽  
Three Dimensional ◽  
Coherent Scattering ◽  
Systematic Errors ◽  
Fluorite Structure ◽  
Bragg Scattering ◽  
Thorium Dioxide ◽  
Structure Factors ◽  
Neutron Structure ◽  
Actinide Oxides

Three-dimensional neutron structure factors have been measured on single crystals grown from the melt and from solution. The Bragg reflexions divide into three groups, strong, medium and weak: the strong and medium reflexions are affected by extinction, which is particularly severe for solution-grown crystals, and the weak reflexions by double Bragg scattering. Least-squares analysis of experimental data corrected for these systematic errors confirms that the oxides have the fluorite structure at room temperature and gives precise values for the Debye-Waller factors of the heavy-metal and oxygen atoms and for the ratios of their nuclear coherent scattering amplitudes.

Hydrogen-Bond Nature Studied by X-ray and Neutron Structure Analyses of MeHPLN at Room Temperature

2003 ◽  
Vol 72 (11) ◽  
pp. 2816-2821 ◽  
Author(s):  
R. Kiyanagi ◽  
A. Kojima ◽  
T. Hayashide ◽  
H. Kimura ◽  
M. Watanabe ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Room Temperature ◽  
X Ray ◽  
Neutron Structure

scholarly journals Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patterns of an effective clinical drug

IUCrJ ◽  
2016 ◽  
Vol 3 (5) ◽  
pp. 319-325 ◽  
Author(s):  
Mayank Aggarwal ◽  
Andrey Y. Kovalevsky ◽  
Hector Velazquez ◽  
S. Zoë Fisher ◽  
Jeremy C. Smith ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Active Site ◽  
Room Temperature ◽  
Carbonic Anhydrases ◽  
Structural Comparison ◽  
Methyl Derivative ◽  
X Ray ◽  
Solvent Displacement ◽  
Neutron Structure ◽  
Clinical Drug

Carbonic anhydrases (CAs; EC 4.2.1.1) catalyze the interconversion of CO2and HCO3−, and their inhibitors have long been used as diuretics and as a therapeutic treatment for many disorders such as glaucoma and epilepsy. Acetazolamide (AZM) and methazolamide (MZM, a methyl derivative of AZM) are two of the classical CA inhibitory drugs that have been used clinically for decades. The jointly refined X-ray/neutron structure of MZM in complex with human CA isoform II (hCA II) has been determined to a resolution of 2.2 Å with anRcrystof ∼16.0%. Presented in this article, along with only the second neutron structure of a clinical drug-bound hCA, is an in-depth structural comparison and analyses of differences in hydrogen-bonding network, water-molecule orientation and solvent displacement that take place upon the binding of AZM and MZM in the active site of hCA II. Even though MZM is slightly more hydrophobic and displaces more waters than AZM, the overall binding affinity (Ki) for both of the drugs against hCA II is similar (∼10 nM). The plausible reasons behind this finding have also been discussed using molecular dynamics and X-ray crystal structures of hCA II–MZM determined at cryotemperature and room temperature. This study not only allows a direct comparison of the hydrogen bonding, protonation states and solvent orientation/displacement of AZM and MZM, but also shows the significant effect that the methyl derivative has on the solvent organization in the hCA II active site.

Dependence of Intergranular Fracture on Boundary Topography and Cohesion

1973 ◽  
Vol 31 ◽  
pp. 150-151
Author(s):  
J. E. Doherty ◽  
A. F. Giamei ◽  
B. H. Kear ◽  
C. W. Steinke
Keyword(s):  
Grain Boundary ◽  
Room Temperature ◽  
Nickel Base Superalloy ◽  
Boundary Shear ◽  
Room Temperature Ductility ◽  
Solid Solution Matrix ◽  
Nickel Base ◽  
Solution Matrix ◽  
Different Levels ◽  
Base Superalloy

Recently we have been investigating a class of nickel-base superalloys which possess substantial room temperature ductility. This improvement in ductility is directly related to improvements in grain boundary strength due to increased boundary cohesion through control of detrimental impurities and improved boundary shear strength by controlled grain boundary micros true tures.For these investigations an experimental nickel-base superalloy was doped with different levels of sulphur impurity. The micros tructure after a heat treatment of 1360°C for 2 hr, 1200°C for 16 hr consists of coherent precipitates of γ’ Ni3(Al,X) in a nickel solid solution matrix.

Hepatocyte Alterations in Guinea Pigs FED Polychlorinated Biphenyls (PCBs), Dibenzodioxins (PCDD), AND DIBENZOFURANS (PCDF)

1982 ◽  
Vol 40 ◽  
pp. 56-57
Author(s):  
J. N. Turner ◽  
D. N. Collins
Keyword(s):  
Guinea Pigs ◽  
Room Temperature ◽  
Dose Group ◽  
Methyl Cellulose ◽  
Uranyl Acetate ◽  
Target Organ ◽  
Office Building ◽  
Lead Citrate ◽  
Control Groups ◽  
Cooling Fluid

A fire involving an electric service transformer and its cooling fluid, a mixture of PCBs and chlorinated benzenes, contaminated an office building with a fine soot. Chemical analysis showed PCDDs and PCDFs including the highly toxic tetra isomers. Guinea pigs were chosen as an experimental animal to test the soot's toxicity because of their sensitivity to these compounds, and the liver was examined because it is a target organ. The soot was suspended in 0.75% methyl cellulose and administered in a single dose by gavage at levels of 1,10,100, and 500mgm soot/kgm body weight. Each dose group was composed of 6 males and 6 females. Control groups included 12 (6 male, 6 female) animals fed activated carbon in methyl cellulose, 6 males fed methyl cellulose, and 16 males and 10 females untreated. The guinea pigs were sacrificed at 42 days by suffocation in CO2. Liver samples were immediately immersed and minced in 2% gluteraldehyde in cacadylate buffer at pH 7.4 and 4°C. After overnight fixation, samples were postfixed in 1% OsO4 in cacodylate for 1 hr at room temperature, embedded in epon, sectioned and stained with uranyl acetate and lead citrate.

Domain Formation in Synthetic Quartz

1971 ◽  
Vol 29 ◽  
pp. 156-157
Author(s):  
Joseph J. Comer
Keyword(s):  
Electron Beam ◽  
Room Temperature ◽  
Domain Formation ◽  
Synthetic Quartz ◽  
Transmission Electron ◽  
Black Spots ◽  
Diffraction Mode ◽  
Domain Boundaries ◽  
Kikuchi Lines ◽  
Straight Lines

Domains visible by transmission electron microscopy, believed to be Dauphiné inversion twins, were found in some specimens of synthetic quartz heated to 680°C and cooled to room temperature. With the electron beam close to parallel to the [0001] direction the domain boundaries appeared as straight lines normal to <100> and <410> or <510> directions. In the selected area diffraction mode, a shift of the Kikuchi lines was observed when the electron beam was made to traverse the specimen across a boundary. This shift indicates a change in orientation which accounts for the visibility of the domain by diffraction contrast when the specimen is tilted. Upon exposure to a 100 KV electron beam with a flux of 5x 1018 electrons/cm2sec the boundaries are rapidly decorated by radiation damage centers appearing as black spots. Similar crystallographio boundaries were sometimes found in unannealed (0001) quartz damaged by electrons.

A Liquid Nitrogen Cooled Stage for STEM

1974 ◽  
Vol 32 ◽  
pp. 444-445
Author(s):  
Louis T. Germinario
Keyword(s):  
Electron Microscope ◽  
High Resolution ◽  
Liquid Nitrogen ◽  
Room Temperature ◽  
Objective Lens ◽  
Thermal Drift ◽  
Specimen Holder ◽  
Resolution Capability ◽  
Focal Position

A liquid nitrogen stage has been developed for the JEOL JEM-100B electron microscope equipped with a scanning attachment. The design is a modification of the standard JEM-100B SEM specimen holder with specimen cooling to any temperatures In the range ~ 55°K to room temperature. Since the specimen plane is maintained at the ‘high resolution’ focal position of the objective lens and ‘bumping’ and thermal drift la minimized by supercooling the liquid nitrogen, the high resolution capability of the microscope is maintained (Fig.4).

Cryogenic atomic force microscopy

1991 ◽  
Vol 49 ◽  
pp. 54-55
Author(s):  
K. A. Fisher ◽  
M. G. L. Gustafsson ◽  
M. B. Shattuck ◽  
J. Clarke
Keyword(s):  
Room Temperature ◽  
Rapid Freezing ◽  
Cryogenic Temperatures ◽  
Soft Or ◽  
Electrically Conductive ◽  
Force Microscopy ◽  
Flexible Molecules ◽  
Advantages And Disadvantages ◽  
Atomic Force ◽  
Chemical Perturbation

The atomic force microscope (AFM) is capable of imaging electrically conductive and non-conductive surfaces at atomic resolution. When used to image biological samples, however, lateral resolution is often limited to nanometer levels, due primarily to AFM tip/sample interactions. Several approaches to immobilize and stabilize soft or flexible molecules for AFM have been examined, notably, tethering coating, and freezing. Although each approach has its advantages and disadvantages, rapid freezing techniques have the special advantage of avoiding chemical perturbation, and minimizing physical disruption of the sample. Scanning with an AFM at cryogenic temperatures has the potential to image frozen biomolecules at high resolution. We have constructed a force microscope capable of operating immersed in liquid n-pentane and have tested its performance at room temperature with carbon and metal-coated samples, and at 143° K with uncoated ferritin and purple membrane (PM).

Benzylamine Tartrate as an Organic Glass Substrate for Carbon Films by Evaporation

1970 ◽  
Vol 28 ◽  
pp. 484-485
Author(s):  
A. C. Faberge
Keyword(s):  
Vapor Pressure ◽  
Viscous Liquid ◽  
Glass Substrate ◽  
Room Temperature ◽  
Carbon Film ◽  
Carbon Films ◽  
Organic Glass ◽  
Spectroscopic Examination ◽  
Polymeric Substrates

Benzylamine tartrate (m.p. 63°C) seems to be a better and more convenient substrate for making carbon films than any of those previously proposed. Using it in the manner described, it is easy consistently to make batches of specimen grids as open as 200 mesh with no broken squares, and without individual handling of the grids. Benzylamine tartrate (hereafter called B.T.) is a viscous liquid when molten, which sets to a glass. Unlike polymeric substrates it does not swell before dissolving; such swelling of the substrate seems to be a principal cause of breakage of carbon film. Mass spectroscopic examination indicates a vapor pressure less than 10−9 Torr at room temperature.

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