Готові списки джерел за темами / X-ray crystallographically

Добірка наукової літератури з теми "X-ray crystallographically"

Автор: Grafiati

Опубліковано: 10 грудня 2022

Оновлено: 28 січня 2023

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Статті в журналах з теми "X-ray crystallographically"

Aitken, R. Alan, Fiona M. Fotherby, and Alexandra M. Z. Slawin. "2,6-exo-8,12-exo-10-Butyl-13-oxa-3,5-dithia-10-azatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione." Molbank 2020, no. 2 (April 2, 2020): M1123. http://dx.doi.org/10.3390/m1123.

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The title compound was obtained in low yield and spectroscopically characterised. Its X-ray structure was compared with the X-ray structures of other crystallographically-characterised 2-unsubstituted 1,3-dithiolanes.

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Anzaldo, Bertin, Pankaj Sharma, Francisco Lara Ochoa, Claudia P. Villamizar C., and René Gutiérrez Pérez. "X-ray structure analysis of symmetrically substituted 1,1′-diformylruthenocene." Acta Crystallographica Section E Crystallographic Communications 74, no. 9 (August 10, 2018): 1186–89. http://dx.doi.org/10.1107/s2056989018010642.

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1,1′-Diformylruthenocene, [Ru(C6H5O)2], crystallizes in the orthorhombic system in the P212121 space group at room temperature. There are two crystallographically independent molecules in the asymmetric unit. The cyclopentadienyl rings have eclipsed configuration. The molecules self-assemble in a two-dimensional structure by C—H...O and C—H...π interactions with cisoid relative orientations of the two formyl groups. The crystal studied was refined as an inversion twin.

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Jagtap, Rohidas M., Shridhar H. Thorat, Rajesh G. Gonnade, Ayesha A. Khan, and Satish K. Pardeshi. "X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids." New Journal of Chemistry 42, no. 2 (2018): 1078–86. http://dx.doi.org/10.1039/c7nj02961f.

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The present article encompasses resolution and X-ray crystallographically confirmed absolute stereochemistry-correlated anticancer activity of diastereomeric 3-(tert-butoxycarbonyl)-2-(2-aryl)thiazolidine-4-carboxylic acids against MCF7 breast cancer cells.

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Smarra, A. L. S., R. K. Arni, W. F. De Azevedo, M. F. Colombo, and G. O. Bonilla-Rodriguez. "Crystallization and X-ray analysis of oxyhemoglobin-i liposarcus anisitsi (pisces)." Protein & Peptide Letters 4, no. 5 (October 1997): 349–54. http://dx.doi.org/10.2174/092986650405221017155228.

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Abstract: Hemoglobin remains, despite the enormous amount of research involving this molecule, as a prototype for allosteric models and new conformations. Functional studies carried out on Hemoglobin-I from the South American Catfish Liposarcus anisitsi [1] suggest the existence of conformational states beyond those already described for human hemoglobin, which could be confirmed crystallographically. The present work represents the initial steps towards that goal.

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Chandran, Anu V., J. Rajan Prabu, G. P. Manjunath, K. Neelakanteshwar Patil, K. Muniyappa, and M. Vijayan. "Crystallization and preliminary X-ray studies of the C-terminal domain ofMycobacterium tuberculosisLexA." Acta Crystallographica Section F Structural Biology and Crystallization Communications 66, no. 9 (August 28, 2010): 1093–95. http://dx.doi.org/10.1107/s174430911003068x.

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The C-terminal domain ofMycobacterium tuberculosisLexA has been crystallized in two different forms. The form 1 and form 2 crystals belonged to space groupsP3121 andP31, respectively. Form 1 contains one domain in the asymmetric unit, while form 2 contains six crystallographically independent domains. The structures have been solved by molecular replacement.

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Aitken, R., Neil Keddie, and Alexandra Slawin. "3,5-Dithiatricyclo[5.2.1.02,6]decan-4-one." Molbank 2020, no. 2 (April 24, 2020): M1126. http://dx.doi.org/10.3390/m1126.

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The X-ray structure of the title compound has been determined and the structure shows an exo-configured planar dithiolanone ring. This is in contrast to the few previous dithiolanones to be characterised crystallographically, which are all twisted.

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Ozerov, Ruslan P., Victor A. Streltsov, Alexander N. Sobolev, Brian N. Figgis та Victor L. Volkov. "Electron density in the sodium vanadium oxide bronze β-Na x V2O5 at 9 K". Acta Crystallographica Section B Structural Science 57, № 3 (25 травня 2001): 244–50. http://dx.doi.org/10.1107/s0108768101002038.

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The crystal structure and electron density in sodium vanadium oxide bronze, β-Na x V2O5 [x = 0.282 (3)], have been studied by accurate Mo Kα X-ray diffraction measurements at 9.6 (3) K. No noticeable difference in the crystal structures at room temperature and 9.6 K has been observed. No superstructure reflections, previously found by Kanai, Kagoshima & Nagasawa [(1982), J. Phys. Soc. Jpn, 51, 697–698], have been detected at low temperature. Analysis of the deformation electron density has revealed the presence of the quasi-two-dimensional sheets of the —V—O—V—O— bonds in the structure. The electron density in the different chemical bonds within each of the three crystallographically independent VO6 polyhedra noticeably varies, although there is no clear evidence that the three crystallographically independent V atoms have different valence states.

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Aitken, R. Alan, Charles Bloomfield, Liam J. R. McGeachie, and Alexandra M. Z. Slawin. "Diethyl pyrrole-2,5-dicarboxylate." Molbank 2020, no. 1 (February 17, 2020): M1117. http://dx.doi.org/10.3390/m1117.

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The title compound was obtained in moderate yield by a new and unexpected base-induced ring contraction from a 1,4-thiazine precursor. Its X-ray structure showing hydrogen bonded dimers was compared with those of other crystallographically characterised 2-acylpyrroles.

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Weissbach, Torsten, Tilmann Leisegang, Andreas Kreyssig, Matthias Frontzek, Jens-Uwe Hoffmann, Dmitri Souptel, Anke Köhler, Günter Behr, Peter Paufler, and Dirk C. Meyer. "Intergrowth of several solid phases from the Y–Ni–B–C system in a large YNi2B2C crystal." Journal of Applied Crystallography 41, no. 4 (June 14, 2008): 738–46. http://dx.doi.org/10.1107/s002188980801279x.

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A YNi2B2C single crystal containing traces of foreign phases was inspected by means of neutron and X-ray diffraction as well as scanning electron microscopy and X-ray spectroscopy methods. The diffraction patterns obtained from the experiments look similar to those expected for a superstructure. Nevertheless, they can be interpreted as crystallographically oriented precipitations of YB2C2and Ni2B within the YNi2B2C crystal, formed during the cooling process. The orientation relation between the lattices was obtained from experimental neutron and X-ray data. Structure refinements of the collected X-ray data were performed by separation of the intensity data of the individual phases. Scanning electron microscopy images of the inclusions found on a polished cross section of the crystal are presented; their chemical composition was determined using wavelength-dispersive X-ray analysis.

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Kim, Hyunjeong, Kouji Sakaki, Kohta Asano, Miho Yamauchi, Akihiko Machida, Tetsu Watanuki, and Yumiko Nakamura. "In-situ hydrogen gas loading setup for synchrotron X-ray total scattering." Acta Crystallographica Section A Foundations and Advances 70, a1 (August 5, 2014): C868. http://dx.doi.org/10.1107/s2053273314091311.

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Hydrogen has been considered as a promising alternative fuel for transportation, provided we can find a way to store a large amount of hydrogen in a compact way. The realization of such a storage system can be achieved by developing materials that can easily absorb, safely store, and rapidly release hydrogen repeatedly. However, there is currently no material to meet all the requirements for on board storage. Great efforts have been made to understand hydrogenation properties of currently available materials to look for a way to improve properties or to prepare new materials. However, investigating the structure of some of these materials is challenging since their hydrides are only available under hydrogen gas pressure. Furthermore, many novel materials with improved properties often show heavily disordered or nanoscale structural features which are difficult to characterize using conventional crystallographic technique alone (crystallographically challenged hydrogen storage materials). In order to investigate the structural change in crystallographically challenged hydrogen storage materials during hydrogenation or dehydrogenation processes we have developed in-situ hydrogen gas loading setup for synchrotron X-ray total scattering experiments at the Japan Atomic Energy Agency (JAEA) beamline of BL22XU [1] at SPring-8. Coupled to an area detector [1,2], this setup allows us to obtain the atomic pair distribution function (PDF) [3] of metal hydrides either in equilibrium or in non-equilibrium state with hydrogen. In this poster, we will introduce our in-situ setup and present some preliminary results on AB5-type intermetallic compounds and Pd nanoparticles.

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Більше джерел

Дисертації з теми "X-ray crystallographically"

Harris, Cragin K. "Synthesis and Characterization of Five New Tetrakis(N-phenylacetamidato) Dirhodium(II) Amine Complexes and One Molybdenum Cofactor Described Crystallographically." Digital Commons @ East Tennessee State University, 2015. https://dc.etsu.edu/etd/2525.

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Six new crystal structures were determined using a Rigaku Mercurcy 375/MCCD(XtaLab mini) diffractometer. The structure of a molybdenum cofactor was solved resulting in an R1 (R1 = Σ ||Fo| - |Fc|| / Σ |Fo|) of 3.61% despite the presence of a disordered DMSO molecule. New Tetrakis(N-phenylacetamidato) Dirhodium(II) complexes were synthesized and characterized. Two 2,2-cis-[Rh2(NPhCOCH3)4]•(C3H4N2)x where x= 1 or 2 were successfully crystallized and solved with R1 values below 5%. Additional studies were conducted via NMR to observe formation of both products. Three potential catalysts were synthesized starting with 3,1-[Rh2(NPhCOCH3)4]. The resulting compounds were a mono adduct 3,1-[Rh2(NPhCOCH3)4]•(C3H4N2), and two dimer of dimers complexes with amine bridges 3,1-[Rh2(NPhCOCH3)4]2•(C8H6N2) and 3,1-[Rh2(NPhCOCH3)4]2•(C10H8N2). All three complexes were crystallized and solved with R1 values less than 10%. Additional NMR studies were conducted to elucidate solid and solution phase structures and to determine the possibility of additional amine bonds forming.

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Книги з теми "X-ray crystallographically"

Crystallographically determined structures of some biologically important macromolecules. Austin, Tex: R.G. Landes, 1996.

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Частини книг з теми "X-ray crystallographically"

Rickard, David. "The Crystallography of Pyrite Framboids." In Framboids, 110–28. Oxford University Press, 2021. http://dx.doi.org/10.1093/oso/9780190080112.003.0006.

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Single crystal X-ray diffraction analyses of even the most perfectly organized framboids show ring patterns indicative of randomly oriented particles. Therefore, framboids are not mesocrystals or extreme skeletal varieties of single crystals. Electron backscatter diffraction shows that the microcrystals within a framboid are not crystallographically aligned. Around half of the microcrystals in organized framboids have crystallographic orientations rotated 90º. The results of single crystal XRD and framboid EBSD studies clearly show that the microcrystals are self-organized rather than being the result of a crystallographic template or preexisting structural control. The pre-formed framboid microcrystals which are initially randomly organized throughout the framboid volume then, in some cases, begin to wholly or partly self-order. This is effected by rotation of the microcrystals until an ordered array is produced. The consequence of this rotation must be that the microcrystals are initially packed loosely enough for rotation to occur. The processes involved in the rotation could include forces intrinsic to the microcrystals themselves, such as surface forces, or forces imposed from outside the framboid, such as Brownian motion. The fundamental driving force for microcrystal rotation and the development of organized microcrystal arrays in framboids is entropy maximization.

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Тези доповідей конференцій з теми "X-ray crystallographically"

Srivastava, D., K. V. Mani Krishna, S. Neogy, G. K. Dey, I. Samajdar, and S. Banerjee. "Evolution of Microstructure, Microtexture and Texture in Dilute Zirconium Based Structural Components of Pressurised Heavy Water Reactors." In 17th International Conference on Nuclear Engineering. ASMEDC, 2009. http://dx.doi.org/10.1115/icone17-75274.

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Microstructure and texture of Zr alloys plays a significant role in deciding the material properties and its performance in nuclear reactor. In order to understand the development of microstructure, it is important to know the phase transformations mechanism in these alloys. Dilute Zr-Nb alloys exhibit a range of diffusional, diffusion less and hybrid phase transformations which includes martensitic omega and hydride transformation. With these points in view detail studies on the physical metallurgy aspects of the binary, ternary and quaternary Zirconium base alloys has been carried out in this study. Electron Diffraction and X-ray diffraction techniques have been used to determine the phases, defects and their crystallographic features. Hydriding is most important corrosion problem in the Zirconium cladding alloys. The mechanism of hydride phase transformation and their crystallographic and microstructural aspects has been presented in detail in some Zirconium alloys. Zirconium alloys being crystallographically asymmetric it shows deformation and annealing texture. Result of the studies on bulk and micro texture in some zirconium alloys and some micro-textural aspects on hydride formation is presented in this paper.

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