ΔMj transitions in homonuclear molecule scattering off corrugated surfaces. Square and rectangular lattice symmetry and purely repulsive interaction

1984 ◽  
Vol 80 (8) ◽  
pp. 3845-3858 ◽  
Author(s):  
T. R. Proctor ◽  
D. J. Kouri ◽  
R. B. Gerber
Keyword(s):  
Repulsive Interaction ◽  
Rectangular Lattice ◽  
Lattice Symmetry ◽  
Corrugated Surfaces ◽  
Molecule Scattering ◽  
Homonuclear Molecule

Model of Diatomic Homonuclear Molecule Scattering by Atom or Barriers

2016 ◽  
pp. 511-524
Author(s):  
A. A. Gusev ◽  
O. Chuluunbaatar ◽  
S. I. Vinitsky ◽  
L. L. Hai ◽  
V. L. Derbov ◽  
...  
Keyword(s):  
Molecule Scattering ◽  
Homonuclear Molecule

Computer Indexing of Electron Diffraction Patterns Including the Effects of Lattice Symmetry

1977 ◽  
Vol 35 ◽  
pp. 22-23
Author(s):  
J. S. Lally ◽  
R. J. Lee
Keyword(s):  
Electron Diffraction ◽  
Zone Axis ◽  
Crystal Thickness ◽  
Double Diffraction ◽  
Automated Method ◽  
Lattice Symmetry ◽  
Intensity Calculations ◽  
Unknown Structure ◽  
Diffraction Patterns ◽  
Orientation Parameters

In the 50 year period since the discovery of electron diffraction from crystals there has been much theoretical effort devoted to the calculation of diffracted intensities as a function of crystal thickness, orientation, and structure. However, in many applications of electron diffraction what is required is a simple identification of an unknown structure when some of the shape and orientation parameters required for intensity calculations are not known. In these circumstances an automated method is needed to solve diffraction patterns obtained near crystal zone axis directions that includes the effects of systematic absences of reflections due to lattice symmetry effects and additional reflections due to double diffraction processes.Two programs have been developed to enable relatively inexperienced microscopists to identify unknown crystals from diffraction patterns. Before indexing any given electron diffraction pattern, a set of possible crystal structures must be selected for comparison against the unknown.

Cryo-Electron Microscopy and Correlation Averaging of Frozen-Hydrated, Polymorphic 2D Crystals of the Mitochondrial Outer Membrane Channel

1990 ◽  
Vol 48 (1) ◽  
pp. 100-101
Author(s):  
Xiao-Wei Guo
Keyword(s):  
Outer Membrane ◽  
Hexagonal Lattice ◽  
Mitochondrial Outer Membrane ◽  
Rectangular Lattice ◽  
Electron Microscopic ◽  
Cryo Electron Microscopy ◽  
Voltage Dependent ◽  
Outer Membrane Channel ◽  
2D Crystals ◽  
Vdac Channel

Voltage-dependent, anion-selective channels (VDAC) are formed in the mitochondrial outer membrane (mitOM) by a 30-kDa polypeptide. These channels form ordered 2D arrays when mitOMs from Neurospora crassa are treated with soluble phospholipase A2. We obtain low-dose electron microscopic images of unstained specimens of VDAC crystals preserved in vitreous ice, using a Philips EM420 equipped with a Gatan cryo-transfer stage. We then use correlation analysis to compute average projections of the channel crystals. The procedure involves Fourier-filtration of a region within a crystal field to obtain a preliminary average that is subsequently cross-correlated with the entire crystal. Subregions are windowed from the crystal image at coordinates of peaks in the cross-correlation function (CCF, see Figures 1 and 2) and summed to form averages (Figure 3).The VDAC channel forms several different types of crystalline arrays in mitOMs. The polymorph first observed during phospholipase treatment is a parallelogram array (a=13 run, b=11.5 run, θ==109°) containing 6 water-filled pores per unit cell. Figure 1 shows the CCF of a sub-field of such an “oblique” array used to compute the correlation average of Figure 3A. With increased phospholipase treatment, other polymorphs are observed, often co-existing within the same crystal. For example, two distinct (but closely related) types of lattices occur in the field corresponding to the CCF of Figure 2: a “contracted” version of the parallelogram lattice (a=13 run, b=10 run, θ=99°), and a near-rectangular lattice (a=8.5 run, b=5 nm). The pattern of maxima in this CCF suggests that a third, near-hexagonal lattice (a=4.5 nm) may also be present. The correlation averages of Figures 3B-D were computed from polycrystalline fields, using peak coordinates in regions of CCFs corresponding to each of the three lattice types.

Intensification of Open Gutters Operation

2020 ◽  
pp. 66-70
Keyword(s):  
Water Flow ◽  
Vortex Formation ◽  
Hydraulic Testing ◽  
Polymer Materials ◽  
Bottom Surface ◽  
Artificial Roughness ◽  
Transport Capacity ◽  
Corrugated Surfaces ◽  
Inner Surface ◽  
Dispersed Inclusions

The intensification of the work of open gutter by applying textured shells to their bottom surface, forming an artificial roughness, is considered. It is shown that the presence of corrugated surfaces contributes to vortex formation during water flow and improves the separation and transportation of mineral impurities previously dropped into the bottom of the gutters. The implementation of operations to improve the structure of the gutters is possible during the repair and restoration works with the use of modern polymer materials. The design of a small-sized hydraulic stand, which makes it possible to study the transport capacity of flows containing solid inclusions, is presented. The method of research is hydraulic testing, accompanied by the use of chiaroscuro effect, as well as photo and film equipment. The optimal structure of the inner surface of the gutters and pipes providing vortex formation, which will improve the ability of the flow to carry out and transport foreign dispersed inclusions (sand) of different granulometric compositions, is determined.

The Electron Effect of Aromatic Group: Control Conformation of 2-Aromatic Cyclododecanone Derivatives

2020 ◽  
Vol 24 (10) ◽  
pp. 1139-1147
Author(s):  
Yang Mingyan ◽  
Wang Daoquan ◽  
Wang Mingan
Keyword(s):  
1H Nmr ◽  
13C Nmr ◽  
Nmr Spectra ◽  
Coupling Constants ◽  
The Other ◽  
Repulsive Interaction ◽  
X Ray Diffraction ◽  
X Ray ◽  
Electron Effect ◽  
Group Control

2-Phenylcyclododecanone and 2-cyclohexylcyclododecanone derivatives were synthesized and characterized by 1H NMR, 13C NMR, HR-ESI-MS and X-ray diffraction. Their preferred conformations were analyzed by the coupling constants in the 1H NMR spectra and X-ray diffraction, which showed the skeleton ring of these derivatives containing [3333]-2-one conformation, and the phenyl groups were located at the side-exo position of [3333]-2-one conformation due to the strong π-π repulsive interaction between the π- electron of benzene ring and π-electron of carbonyl group. The cyclohexyl groups were located at the corner-syn or the side-exo position of [3333]-2-one conformation depending on the hindrance of the other substituted groups. The π-π electron effect played a crucial role in efficiently controlling the preferred conformation of 2-aromatic cyclododecanone and the other 2-aromatic macrocyclic derivatives with the similar preferred square and rectangular conformations.

Studies of a Mixed Adsorption Layer of Butan-1-ol and o-Toluidine on Mercury Electrode

2002 ◽  
Vol 67 (11) ◽  
pp. 1579-1588 ◽  
Author(s):  
Dorota Sieńko ◽  
Dorota Gugała ◽  
Jolanta Nieszporek ◽  
Joanna Jankowska ◽  
Jadwiga Saba
Keyword(s):  
Thermodynamic Analysis ◽  
Adsorption Layer ◽  
Supporting Electrolyte ◽  
Mercury Electrode ◽  
Interaction Constant ◽  
Repulsive Interaction ◽  
Surface Excess ◽  
Adsorption Parameters ◽  
Frumkin Isotherm ◽  
Adsorption Layers

The results of thermodynamic analysis of o-toluidine adsorption on a mercury electrode in the presence of various butan-1-ol amounts complete our previous studies on properties of mixed adsorption layers of toluidine isomers-butan-1-ol. The values of the relative surface excess Γ'°T obtained for o-toluidine show that adsorption of this compound decreases with increasing of butan-1-ol concentration. Analysis of adsorption parameters derived from the Frumkin isotherm indicates that in the presence of 0.33 M BuOH in 1 M NaClO4 with adjusted pH 3 as supporting electrolyte, ∆G0 values for o-toluidine are the highest and, at the same time, the strongest repulsive interaction occurs. In the presence of 0.11 M butan-1-ol, smaller values of ∆G0 for o-toluidine correspond to weaker repulsive interaction. Therefore the change of the Γ'°T value for o-toluidine as a function of butan-1-ol concentration is the result of mutual changes of ∆G0 and interaction constant A between adsorbate molecules.

The size of the region occupied by one type in an invasion process

1976 ◽  
Vol 13 (02) ◽  
pp. 355-356 ◽  
Author(s):  
Aidan Sudbury
Keyword(s):  
Random Walk ◽  
Simple Random Walk ◽  
Rectangular Lattice ◽  
Invasion Process

Particles are situated on a rectangular lattice and proceed to invade each other's territory. When they are equally competitive this creates larger and larger blocks of one type as time goes by. It is shown that the expected size of such blocks is equal to the expected range of a simple random walk.

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