X-Ray Molecular Structure
1,8 Dioxa 4,11 dithiacyclotetradecane 2,9 dione
... unusual structure is made possible by two parallel planar ester groups: C2, C3, O8, O4 and C5 are practically in the ...1987). Molecular- mechanics calculations (Mohamadi, 1990) showed that the ...
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Application of X-ray Diffraction Methods and Molecular Mechanics Simulations to Structure Determination and Cotton Fiber Analysis
... increase x-ray intensity and improve heat dissipation by spreading the electron bombardment over a much larger piece of metal 13 ...The X-ray beam generated is more intense than those obtained ...
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Crystal structure of 9,20 dimethyl 1,8,12,19 tetraazatetracyclo[17 3 1 02,7 013,18]tricosane dihydrate from synchrotron X ray data
... synchrotron X-ray radiation ...the molecular conformation while medium-strength intermolecular N—H O, O—H N and O—H O hydrogen bonds involving the lattice water molecules connect the components into ...
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Novel 1,3,4 (thiadiazol 2 ylamino) methyl 5 (pyridin 4 yl) 1,3,4 oxadiazol 2 thiones: synthesis, docking and antimycobacterial testing
... The molecular dock- ing tool, GLIDE (Schrodinger ...the X-ray crystal structure of cytochrome P450 14α-sterol Demethylase (14DM) from Mycobacterium in complex with 4-phenylimidazole (PDB entry ...
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(4 Ethoxybenzoyl)[8 (4 ethoxybenzoyl) 2,7 dimethoxynaphthalen 1 yl]methanone
... the molecular structures of these kinds of homologous molecules, the X-ray crystal structure of the title compound, 1,8-diaroylated naphthalene bearing ethoxy groups on the aroyl moieties, is ...
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Synthesis, X-Ray Structure and Molecular Docking Analysis of Two Novel 1,2,4,5-Tetrasubstituted Imidazole Derivatives
... molecular docking studies were carried out against the fungal protein cytochrome P450 sterol 14DM CYP-51 of C. albicans (PDB Id: 1E9X) [15] with the synthesized imidazole derivatives. The binding energy and ...
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X-ray crystal structure of endosulfan sulfate
... a molecular bond, and thus, two stereoisomers would be ...the structure of endosulfan sulfate [13], but an actual crystal structure was not ...accurate molecular 3D structure of endo- ...
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Synthesis of Di and Tetraoximes from the Reaction of Phenylendiamines with Dichloroglyoxime
... The structures of 1 and 2 were deduced from their elemental analyses and their IR, 1 H and 13 C NMR spectra. The mass spectra of these compounds are fairly similar, and confirm their molecular weights, as ...
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Single X ray diffraction: A technique to elucidate the structure of crystal
... and molecular structure of a ...define structure of ...the structure of any material are Nuclear magnetic resonance (NMR), infrared spectroscopy (IR), Mass spectroscopy ...partial ...
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Investigation of electronic structure and optical properties of organic molecular semiconductor materials by X ray spectroscopies
... Investigation of Electronic Structure and Optical Properties of Organic Molecular Semiconductor.. Materials by X-ray Spectroscopies.[r] ...
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3 Phenyl/Pyridinyl Derivatives of Trans 2 (aryl/heteryl)vinyl 3H quinazolin 4 ones: Synthesis and Fluorescent Properties
... The molecular structure of 3b, based on the X-ray crystallography data, is shown in Figure ...the X-ray data obtained, the com- pound is crystallized in the chiral space group of ...
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X-ray CT analysis of pore structure in sand
... pore structure is assumed to be a straight ...pore structure in soil can be directly measured (Tomot- sune et ...industrial X-ray CT ...synchrotron-source X-ray CT for the ...
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Antigenic and Cryo-Electron Microscopy Structure Analysis of a Chimeric Sapovirus Capsid
... virus using the MODELLER 9v10 comparative-modeling program (17). To build the homology model, multiple-sequence alignments of the cali- civirus capsid proteins were performed using the PROMALS3D program (18, 19); the ...
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X ray spectroscopic study of the electronic structure of CuCrO2
... band structure calculations shows that I and II relate to states of dominant Cu 3d atomic character while III and IV are asso- ciated with states of dominant O 2p ...In x-ray pho- toemission band II ...
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Structure and function of mitochondrial membrane protein complexes
... membrane, is the mitochondrial matrix. It is the equiva- lent of the bacterial cytoplasm, from which it is distin- guished by a pH of 7.9 to 8 [20], similar to that in the chloroplast stroma. The high pH of the ...
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Structural studies of anodic films on pure aluminium
... Chapter six contains the extended x-ray absorption fine structure EXAFS, x-ray near edge structure XANES, and the reflection EXAFS ReflEXAFS spectra measured above the Kabsorption edge o[r] ...
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DC conductivity of nanocrystalline calcium tungstate
... Figure 4(a) shows the Transmission Electron Microscope (TEM) image of nanocrystalline calcium tungstate (sample code – CT1). TEM image indicates that most of the nanocrystals are nearly spherical in shape and some are ...
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Morphological characterisation of unstained and intact tissue microarchitecture by x ray computed micro and nano tomography
... in X-ray density ...similar X-ray densities, we developed a novel semi-automatic segmentation technique which exploited differences in grey-level texture in the two ...
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The structure of liquid argon as determined by x ray diffraction
... cell and cell plus argon intensity, absorption factors, argon intensity, smoothed argon intensity, smoothed argon intensity corrected for distortion, structure factor, radial distributio[r] ...
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Local Atomic Structure and Electronic State of ZnS Films Synthesized by Using CBD Technique
... To investigate the atomic distribution around Zn and elec- tronic state of the CBD ZnS film, the X-ray absorption spec- troscopic measurements were carried out at Zn K absorption edge (9663 eV) in ...
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