Chain arrangement and sense of the α-helix in poly-L-alanine fibres

1959 ◽  
Vol 249 (1256) ◽  
pp. 30-41 ◽  
Keyword(s):  
Optical Diffraction ◽  
Peptide Sequence ◽  
X Ray Diffraction ◽  
Repeat Distance ◽  
Left Handed ◽  
Diffraction Patterns ◽  
Α Helix ◽  
Limited Sequence ◽  
Good Agreement ◽  
Complete Account

The X-ray diffraction pattern of poly-L-alanine fibres has been compared with optical diffraction patterns of a-helices. With bond lengths and angles not significantly different from those found in simple compounds, good agreement is found with right-handed (but not with left-handed) helices. It is necessary to suppose that the direction of the peptide sequence of chains in the crystallites is random. Helices with a long repeat distance are found to pack in a way which produces a limited sequence of residues, spaced at 4.5 A, in which displacements from steric effects can be expected. It is shown how this may produce a meridian reflexion at 4.4 A, as observed. A complete account of all features of the packing is not given, however, and hardly seems to be practicable.

The stability and screw sense of the α -helix in poly- β -benzyl-L-aspartate

1960 ◽  
Vol 259 (1296) ◽  
pp. 110-128 ◽  
Keyword(s):  
Optical Rotatory Dispersion ◽  
Molecular Models ◽  
X Ray Diffraction ◽  
X Ray ◽  
Left Handed ◽  
The Difference ◽  
Diffraction Patterns ◽  
The Stability ◽  
Α Helix ◽  
The Right

A number of polymers and copolymers containing β -benzyl-L-aspartate has been prepared and their optical rotatory dispersion in a variety of solvents has been measured. The results of these measurements together with studies of infra-red spectra, X-ray diffraction patterns, deuteration rates and molecular models lead to the following conclusions. (i) The α -helical form of poly- β -benzyl-L-aspartate is considerably less stable relative to the solvated randomly coiled form than that of poly- γ -benzyl-L-glutamate. (ii) The left-handed α -helix of poly- β -benzyl-L-aspartate is more stable than the right-handed one. (iii) The difference in stability between the two senses of α -helix is much less in the case of poly- β -benzyl-L-aspartate than in that of poly- γ -benzyl-L-glutamate or poly-L-alanine.

Single molecule optical diffraction: A tool for understanding the structure of triple stranded left-hand helical cellulose

1989 ◽  
Vol 47 ◽  
pp. 1024-1025
Author(s):  
George C. Ruben ◽  
William Krakow
Keyword(s):  
Single Molecule ◽  
Helical Structure ◽  
Optical Diffraction ◽  
Maximum Diameter ◽  
Primary Cell Wall ◽  
Cellulose Synthesis ◽  
Left Hand ◽  
Left Handed ◽  
Freeze Dried ◽  
Diffraction Patterns

Tobacco primary cell wall and normal bacterial Acetobacter xylinum cellulose formation produced a 36.8±3Å triple-stranded left-hand helical microfibril in freeze-dried Pt-C replicas and in negatively stained preparations for TEM. As three submicrofibril strands exit the wall of Axylinum , they twist together to form a left-hand helical microfibril. This process is driven by the left-hand helical structure of the submicrofibril and by cellulose synthesis. That is, as the submicrofibril is elongating at the wall, it is also being left-hand twisted and twisted together with two other submicrofibrils. The submicrofibril appears to have the dimensions of a nine (l-4)-ß-D-glucan parallel chain crystalline unit whose long, 23Å, and short, 19Å, diagonals form major and minor left-handed axial surface ridges every 36Å.The computer generated optical diffraction of this model and its corresponding image have been compared. The submicrofibril model was used to construct a microfibril model. This model and corresponding microfibril images have also been optically diffracted and comparedIn this paper we compare two less complex microfibril models. The first model (Fig. 1a) is constructed with cylindrical submicrofibrils. The second model (Fig. 2a) is also constructed with three submicrofibrils but with a single 23 Å diagonal, projecting from a rounded cross section and left-hand helically twisted, with a 36Å repeat, similar to the original model (45°±10° crossover angle). The submicrofibrils cross the microfibril axis at roughly a 45°±10° angle, the same crossover angle observed in microflbril TEM images. These models were constructed so that the maximum diameter of the submicrofibrils was 23Å and the overall microfibril diameters were similar to Pt-C coated image diameters of ∼50Å and not the actual diameter of 36.5Å. The methods for computing optical diffraction patterns have been published before.

Evaluation of Reference X-ray Diffraction Patterns in the ICDD Powder Diffraction File

1990 ◽  
Vol 34 ◽  
pp. 369-376
Author(s):  
G. J. McCarthy ◽  
J. M. Holzer ◽  
W. M. Syvinski ◽  
K. J. Martin ◽  
R. G. Garvey
Keyword(s):  
Powder Diffraction ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
Cd Rom ◽  
X Ray ◽  
Binary Oxides ◽  
Diffraction Patterns ◽  
Input Format ◽  
Good Agreement

AbstractProcedures and tools for evaluation of reference x-ray powder patterns in the JCPDSICDD Powder Diffraction File are illustrated by a review of air-stable binary oxides. The reference patterns are evaluated using an available microcomputer version of the NBS*A1DS83 editorial program and PDF patterns retrieved directly from the CD-ROM in the program's input format. The patterns are compared to calculated and experimental diffractograms. The majority of the oxide patterns have been found to be in good agreement with the calculated and observed diffractograms, but are often missing some weak reflections routinely observed with a modern diffractometer. These weak reflections are added to the PDF pattern. For the remainder of the phases, patterns are redetermined.

Optical diffraction studies of myofibrillar structure

1971 ◽  
Vol 261 (837) ◽  
pp. 201-208 ◽  
Keyword(s):  
Electron Micrographs ◽  
Focal Length ◽  
Optical Diffraction ◽  
Myofibrillar Proteins ◽  
Electron Micrograph ◽  
X Ray Diffraction ◽  
Optical Filtering ◽  
X Ray ◽  
The Subject ◽  
Diffraction Patterns

We have used the techniques of optical diffraction and optical filtering to study electron micrographs of myofibrils and of paracrystals of myofibrillar proteins. The optical diffraction patterns provide information about periodic structure in the micrographs, and sometimes may reveal periodicities not apparent to the eye. We compare the optical diffraction patterns with the X-ray diffraction patterns obtained from living muscle, and this comparison can assist our interpretation of both the X-ray diffraction patterns and the electron micrographs. The optical diffractometer we have used is essentially similar to those described by Taylor & Lipson (1964), and by Klug & DeRosier (1966). The apparatus incorporates several refinements to facilitate operation. The recombining lens has a focal length, f , of about 1 m, and is placed so that the recombined image is formed at 2 f and has the same size as the subject. The diffraction subjects are not usually the electron micrographs themselves but copies on film. The film is of more uniform optical thickness than the glass electron micrograph, and is less fragile. Moreover, a set of films of varying contrast can be made from one micrograph.

scholarly journals An electron microscopic and optical diffraction analysis of the structure of Limulus telson muscle thick filaments.

1982 ◽  
Vol 92 (2) ◽  
pp. 443-451 ◽  
Author(s):  
R W Kensler ◽  
R J Levine
Keyword(s):  
Electron Microscopy ◽  
Diffraction Analysis ◽  
Electron Micrographs ◽  
Optical Diffraction ◽  
X Ray Diffraction ◽  
Electron Microscopic ◽  
X Ray ◽  
Thick Filaments ◽  
Diffraction Patterns ◽  
Cross Bridges

Long, thick filaments (greater than 4.0 micrometer) rapidly and gently isolated from fresh, unstimulated Limulus muscle by an improved procedure have been examined by electron microscopy and optical diffraction. Images of negatively stained filaments appear highly periodic with a well-preserved myosin cross-bridge array. Optical diffraction patterns of the electron micrographs show a wealth of detail and are consistent with a myosin helical repeat of 43.8 nm, similar to that observed by x-ray diffraction. Analysis of the optical diffraction patterns, in conjunction with the appearance in electron micrographs of the filaments, supports a model for the filament in which the myosin cross-bridges are arranged on a four-stranded helix, with 12 cross-bridges per turn or each helix, thus giving an axial repeat every third level of cross-bridges (43.8 nm).

The Hinckley index for kaolinites

Clay Minerals ◽  
1988 ◽  
Vol 23 (3) ◽  
pp. 249-260 ◽  
Author(s):  
A. Plançon ◽  
R. F. Giese ◽  
R. Snyder
Keyword(s):  
Diffraction Pattern ◽  
Defect Structure ◽  
Structural Defects ◽  
X Ray Diffraction ◽  
X Ray ◽  
Linear Fashion ◽  
Non Linear ◽  
Diffraction Patterns ◽  
Good Agreement

AbstractThe (02,11) X-ray diffraction band from a low-defect kaolinite from Cornwall (Hinckley index HI = 1·22) was examined to determine the defect structure. No combination of interlayer translations and admixing of dickite layers accurately modelled the observed diffraction pattern. Calculated diffraction patterns which gave a good agreement with the shape, position, and intensity of the observed peaks, uniformly had inter-peak intensities which were too weak. By treating the kaolinite as a mixture of low-defect (HI = 1·76) and moderate-defect (HI = 0·29) kaolinites, the agreement between the observed and calculated patterns was improved substantially. The existence of a mixture of two kaolinites was also found for a number of low-defect samples (HI > 0·4) from Georgia and Cornwall, and may be of even wider occurrence. The HI, which is very sensitive to the inner-peak intensities, does not estimate the types or abundances of various structural defects (the classical “crystallinity”), but is related directly, in a non-linear fashion, to the proportions of the two kinds of kaolinite which are present in the sample.

Distinguishing Between Coherent Interdiffusion and Incoherent Roughness in Synthetic Multilayers Using X-Ray Diffraction

1992 ◽  
Vol 280 ◽  
Author(s):  
Z. Xu ◽  
Z. Tang ◽  
S. D. Kevan ◽  
Thomas Novet ◽  
David C. Johnson
Keyword(s):  
Domain Size ◽  
Dynamical Theory ◽  
Variable Degree ◽  
X Ray Diffraction ◽  
Density Profiles ◽  
Small Deviations ◽  
Diffraction Patterns ◽  
Electron Density Profiles ◽  
Subsidiary Maxima ◽  
Good Agreement

ABSTRACT:: We have developed a method to separate coherent interfacial interdiffusion from incoherent interfacial roughness by extending an electromagnetic dynamical theory to calculate the reflectivity of a multilayer having an arbitrary interfacial profile with a variable degree of randomness in the repeating layer thicknesses. We find that the intensity of the subsidiary maxima are extremely sensitive to incoherent roughness while the intensity of the Bragg maxima are largely determined by the interfacial electron density profiles. Experimental data are modeled in a manner similar to that used by Warren and Averback to determine domain size of crystallites. We divide the multilayer into coherent domains differing from one another by small deviations from the average layer thicknesses. The diffraction intensity from each of these domains is then added to obtain the experimental pattern. The diffraction spectra of a set of Pt/Co multilayers with similar layer thicknesses but prepared with different sputtering gases illustrates the ability to separate the effects of coherent interdiffusion from incoherent roughness. The extent of incoherent roughness obtained using this model to analyze the diffraction data of these Pt-Co multilayers is in good agreement with TEM and STM results from the same samples. The diffraction patterns could not be simulated with abrupt concentration profiles and the extent of interdiffusion was found to be correlated with the energy of reflected neutrals present during the synthesis of the multilayers.

Three-dimensional optical transforms

1961 ◽  
Vol 264 (1318) ◽  
pp. 339-354 ◽  
Keyword(s):  
Fourier Transforms ◽  
Three Dimensional ◽  
Polarized Light ◽  
Continuous Phase ◽  
Optical Diffraction ◽  
X Ray Diffraction ◽  
Circularly Polarized Light ◽  
X Ray ◽  
Half Wave ◽  
Diffraction Patterns

In recent years optical diffraction patterns have been used to assist in the solution of certain X-ray diffraction problems. The most useful technique—which is based partly on the properties of Fourier transforms and partly on optical experiments—is usually known as the optical-transform technique. It has, however, so far been confined to problems involving the projection of crystal structures on to a plane. The present work is aimed at extending the application to full three-dimensional structures. It is shown that this is most simply achieved by controlling the relative phases of beams of light; a method of phase control using circularly polarized light and half-wave plates of mica is described. The theory of the method, experimental details, and the demonstration of its validity are given. In order to gain experience in the use of three-dimensional optical transforms for solving X-ray diffraction problems a known structure has been examined, and the results of this work are included. Although this work has been primarily concerned with applications to X-ray diffraction, it is thought that the method of continuous phase changing, which is simple and linear, may find uses in other fields.

An Application of Multigrain Approaches to the Structural Solution of Grains from Polycrystalline Samples

2019 ◽  
Vol 288 ◽  
pp. 119-123 ◽  
Author(s):  
Jav Davaasambuu ◽  
Jon Wright ◽  
Henning O. Soerensen ◽  
Soeren Schmidt ◽  
Henning F. Poulsen ◽  
...  
Keyword(s):  
Structural Refinement ◽  
X Ray Diffraction ◽  
X Ray ◽  
Experimental Parameters ◽  
Resolution Level ◽  
Diffraction Patterns ◽  
The Individual ◽  
Individual Grains ◽  
Comparison Of The Results ◽  
Good Agreement

The overlap of diffraction spots from different grains was investigated to understand the influence of experimental factors on the x-ray diffraction data quality and to optimize the experimental parameters for data collection on polycrystalline samples. Diffraction patterns for photoactive polycrystals were indexed and sorted with respect to grains using multigrain approaches. The indexing of diffraction spots and the identification of grains for tetrathiafulvalene-p-chloranil samples were performed using the ImageD11, GrainSpotter, GRAINDEX and Cell_now programs. In many cases, comparison of the results from these programs shows good agreement. For the individual grains from polycrystalline samples, the crystal structure was solved and refined using the SHELXTL program. After the structural refinement of the grains, the best and the average R1 values were 1.93% and 2.06%, respectively, which are on a comparable resolution level with that obtained from the x-ray single crystal measurements.

Powder-Pattern: A System of Programs for Processing and Interpreting Powder Diffraction Data

1982 ◽  
Vol 26 ◽  
pp. 63-72 ◽  
Author(s):  
Nikos P. Pyrros ◽  
Camden R. Hubbard
Keyword(s):  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Pure Phase ◽  
Diffraction Patterns ◽  
Better Than ◽  
Good Agreement

The production of standard x-ray diffraction patterns at NBS imposes special requirements in the data processing of powder patterns. The patterns should be complete and have an overall accuracy of better than 0.01 degree two theta. To ensure completeness all the observable peaks should be indexed. To make certain that the sample is a pure phase, weak peaks have to be identified as well.The indexing of all the peaks implies that the cell constants must be known and there should be a good agreement between all the calculated and observed peak positions. In practice this is achieved by a least-squares refinement of the unit cell parameters. This serves as a test of the assumed unit cell and also as an interpretation of the observed peaks. Finally, an attempt is made to identify the space group. This step also requires the identification of weak peaks. The agreement of a known space group with the observed reflections further confirms the purity of the sample.

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