X-rays diffraction studies using

Milch, J. Slow scan sit detector for x-ray-diffraction studies using synchrotron radiation. IEEE Trans. Nucl. Sci. 1979, NS-26, 338. 

This is the reason for numerous studies that have been conducted with X-ray diffraction, a method not described here. Suffice it to say that X-ray diffraction is useful in providing values of aromaticity, the distances between layers and between aliphatic chains, the thickness of particles, etc. 

A left-handed double-heUcal stmcture has been proposed for geUan in the crystalline state, based on x-ray diffraction studies (227). The presence of acetyl groups presumably dismpts interchain aggregation, since these groups are postulated to be on the outside of the heUces. The role played by acetyl and glyceryl ester groups and their influence on the double-heUcal stmcture has been studied using computet models (232). 

X-ray diffraction consists of the measurement of the coherent scattering of x-rays (phenomenon 4 above). X-ray diffraction is used to determine the identity of crystalline phases in a multiphase powder sample and the atomic and molecular stmctures of single crystals. It can also be used to determine stmctural details of polymers, fibers, thin films, and amorphous soflds and to study stress, texture, and particle size. 

The composition varies with the heat treatment and the end point according to x-ray diffraction studies it is a form of carbon that reconverts to weU-ordered graphite on heating to 1800°C. Before the use of x-rays, chemists used the Brodie reaction to differentiate between graphitic carbons and turbostratic carbons. Turbostratic carbons yield a brown solution of humic acids, whereas further oxidation of graphite oxide produces mellitic acid (benzenehexacarboxyhc acid) [517-60-2] ... 

Until recently, the catalytic role of Asp ° in trypsin and the other serine proteases had been surmised on the basis of its proximity to His in structures obtained from X-ray diffraction studies, but it had never been demonstrated with certainty in physical or chemical studies. As can be seen in Figure 16.17, Asp ° is buried at the active site and is normally inaccessible to chemical modifying reagents. In 1987, however, Charles Craik, William Rutter, and their colleagues used site-directed mutagenesis (see Chapter 13) to prepare a mutant trypsin with an asparagine in place of Asp °. This mutant trypsin possessed a hydrolytic activity with ester substrates only 1/10,000 that of native trypsin, demonstrating that Asp ° is indeed essential for catalysis and that its ability to immobilize and orient His is crucial to the function of the catalytic triad. 

The preparation and structural characterization of the ions HX2 has been an important feature of such work/ As expected, these H-bonded ions are much less stable than Hp2 though crystalline salts of all three anions and of the mixed anions HXY (except HBrI ) have been isolated by use of large counter cations, typically Cs+ and NR4+ (R = Me, Et, Bu") — see pp. 1313-21, of ref. 23 for further details. Neutron and X-ray diffraction studies suggest that [C1-H - C1] can be either centrosymmetric or non-centrosymmetric depending on the crystalline environment. An example of the latter mode involves interatomic distances of 145 and 178 pm respectively and a bond angle of -168 (Cl- -Cl 321.2pm).( >... 

Traditionally, the distinction could be achieved by chemical reactions, notably Kurnakov s test, above the increased scope of physical methods means that several physical techniques can be used in addition to X-ray diffraction studies [76]. 

Direct kinetic measurements from the changes in diffracted beam intensities with time during heating of the reactant are illustrated in the work of Haber et al. [255]. Gam [126] has reviewed the apparatus used to obtain X-ray diffraction measurements in thermal analysis. Wiedemann [256] has designed equipment capable of giving simultaneous thermo-gravimetric and X-ray data under high vacuum. X-Ray diffraction studies enable the presence, or absence, of topotactic relationships between reactant and product to be detected [92,102,257—260], Results are sometimes considered with reference to the pseudomorphic shape of residual crystallites. 

The Ca-Cu system has been reexamined using thermal analysis and x-ray diffraction methods an independent study of the CaCuj-Cu section has also been completed. The resultant phase diagram, although similar to that in ref. 3 at the Cu-rich end, differs markedly for Ca-rich alloys. Supporting evidence for the modifications has been obtained from the Ca-Mg-Cu ternaiy system. Three intermediate compounds are formed in the system CaCuj (950 C) melts congruently, whereas CajCu (488 C) and CaCu (567°C) are formed in peritectic reactions. Single-crystal x-ray diffraction studies verify the stoichiometry of CajCu and examine the polymorphism of CaCu. ... 

F(r) was also computed from ab initio wave functions in the framework of the HF/SCF method using 3-21G and 6-31G basis sets due to the large size ofLR-B/081, the calculation has as yet been performed on isolated molecular fragments, adopting a geometry based on molecular dimensions from X-ray diffraction studies. 

T.J. Wess, M. Drakopoulos, A. Snigirev, J. Wounters, O. Paris, P. Fratzl, M. Collins, J. Hiller, K. Nielsen, The Use of Small Angle X Ray Diffraction Studies for the Analysis of Structural Features in Archaeological Samples, Archaeometry, 43, 117 129 (2001). 

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