238000004519 manufacturing process Methods 0.000 claims abstract description 15.239000008194 pharmaceutical composition Substances 0.000 claims abstract description 26.150000003839 salts Chemical class 0.000 claims abstract description 215.239000011780 sodium chloride Substances 0.000 claims abstract description 216.150000001875 compounds Chemical class 0.000 claims abstract description 236.201000011510 cancer Diseases 0.000 title claims abstract description 85.Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.) Filing date Publication date Priority to GBGB1409624.2A priority Critical patent/GB201409624D0/en Priority to GB1409624.2 priority Application filed by Astrazeneca Ab, Cancer Research Technology Limited filed Critical Astrazeneca Ab Publication of WO2015181539A1 publication Critical patent/WO2015181539A1/en Links Inventor Maurice Raymond Verschoyle Finlay Chukuemeka Tennyson Ekwuru Mark David Charles Piotr Antoni Raubo Jonathan James Gordon WINTER Johannes Wilhelmus Maria Nissink Original Assignee Astrazeneca Ab Cancer Research Technology Limited Priority date (The priority date is an assumption and is not a legal conclusion. Google Patents WO2015181539A1 - 1, 3, 4-thiadiazole compounds and their use in treating cancer The resulting surface is a 2x2 supercell, with a large spacing (40 Å) in the z-axis.WO2015181539A1 - 1, 3, 4-thiadiazole compounds and their use in treating cancer
Here translucent van der Waals spheres are used to illustrate the corrugation of the Ag surface. This may take some time, depending on the size of the crystal cell. Click “Build” to start the surface generation.Īfter clicking “Build,” Avogadro will generate a large supercell, align, rotate, and cleave the designated surface. This feature allows easy alignment between a new surface and a molecule for surface interaction calculations. The generated surface is aligned in the XY plane, and a specified thickness will be cleaved in the z-axis below the XY plane. Specify the indices of the Miller plane desired (for hexagonal unit cells, all 4 indices will appear), and choose the dimensions in either distances or repeating cells of the resulting surface. Future crystal builders (e.g., nanoparticles, supercells) will also appear in this menu. To build a specified surface (e.g., Ag ) choose Crystallography > Build > Slab… to bring up the slab builder settings. Importing a crystal will show the asymmetric unit cell (e.g., one atom for Silver here).
Click “Insert” to import the selected structure. Choose File > Import > Crystal to bring up the library.Įither browse through the crystals, or type a filter – by element or name.
The tutorial will assume you import a structure from the Avogadro library. Import the appropriate crystal structure.Įither open a CIF file with the crystal structure needed, or import one from the built-in Avogadro crystal library. Build up a crystal surface, e.g., Pt for a defined Miller Plane.
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