Copyright 2010 Scott R
... example of a fifteen-coordinate atom of any kind. As determined by both single crystal X-ray and single crystal neutron diffraction studies, the eight boron atoms describe an approximate D2d dodecahedral structure in which seven of the Th···B distances lie between 2.88 and 2.95 Å, but the eighth is ...
... example of a fifteen-coordinate atom of any kind. As determined by both single crystal X-ray and single crystal neutron diffraction studies, the eight boron atoms describe an approximate D2d dodecahedral structure in which seven of the Th···B distances lie between 2.88 and 2.95 Å, but the eighth is ...
The Impact of Ligand Design on the Coordination Chemistry and
... Second, for carbonylrhodium(I) complexes, (NNN)Rh(CO), substitution at the para-aryl positions predictably modulates the electronic properties and chemical reactivity. Oxidative addition reactions of the (NNN)Rh(CO) with iodoalkanes proceed about three orders of magnitude faster than those reported ...
... Second, for carbonylrhodium(I) complexes, (NNN)Rh(CO), substitution at the para-aryl positions predictably modulates the electronic properties and chemical reactivity. Oxidative addition reactions of the (NNN)Rh(CO) with iodoalkanes proceed about three orders of magnitude faster than those reported ...
- University of Bath Opus
... frequency variation versus the wave vector. Inside this gap, no extended states are permitted and incident light is reflected. Notably, a two-dimensional photonic crystal can reflect light incident from any direction in the plane, with the band gap dependent on the periodicity and size of the variat ...
... frequency variation versus the wave vector. Inside this gap, no extended states are permitted and incident light is reflected. Notably, a two-dimensional photonic crystal can reflect light incident from any direction in the plane, with the band gap dependent on the periodicity and size of the variat ...
Downloaded
... In the present study, we determine four crystal structures of the wild-type UPPs and the mutant D26A in complex with Mg2⫹, IPP, and farnesyl thiopyrophosphate (FsPP), an FPP analogue that we synthesized previously (21). In FsPP, the bridging oxygen atom between the farnesyl and the pyrophosphate gro ...
... In the present study, we determine four crystal structures of the wild-type UPPs and the mutant D26A in complex with Mg2⫹, IPP, and farnesyl thiopyrophosphate (FsPP), an FPP analogue that we synthesized previously (21). In FsPP, the bridging oxygen atom between the farnesyl and the pyrophosphate gro ...
Crystal Structures, Thermal Analysis, and
... Searching for the optimal method of active pharmaceutical ingredient (API) delivery is an important stage in pharmaceutical drug development. Most APIs are solids under standard conditions and are delivered in tablet form. The efficacy of a drug compound depends on the crystal form of API. There are ...
... Searching for the optimal method of active pharmaceutical ingredient (API) delivery is an important stage in pharmaceutical drug development. Most APIs are solids under standard conditions and are delivered in tablet form. The efficacy of a drug compound depends on the crystal form of API. There are ...
NLRP3 inflammasome activation by crystal structures
... NLRP3 activation when cells were exposed to ATP or silica as a second signal [6][23]●. TNF-α induces caspase-1 activation and IL-1β secretion in macrophages and dentritic cells (DCs) [23]●. It acts by regulating NF-κB pathway and via gene transcription [23]●. NF-κB is a transcription factor. When TN ...
... NLRP3 activation when cells were exposed to ATP or silica as a second signal [6][23]●. TNF-α induces caspase-1 activation and IL-1β secretion in macrophages and dentritic cells (DCs) [23]●. It acts by regulating NF-κB pathway and via gene transcription [23]●. NF-κB is a transcription factor. When TN ...
Polymorph Characterization of Active Pharmaceutical
... by intramolecular vibrational modes that are sensitive to changes in the local functional-group environments. Because the intermolecular coupling of the internal modes is typically extremely weak in the conventional spectral region, the molecular vibrational modes of each molecule in the crystal are ...
... by intramolecular vibrational modes that are sensitive to changes in the local functional-group environments. Because the intermolecular coupling of the internal modes is typically extremely weak in the conventional spectral region, the molecular vibrational modes of each molecule in the crystal are ...
Cation distribution and crystal chemistry of Y3Al5
... were examined using a JEOL JCMA-733 electronmicroprobe analyzer. The results of the chemical analyses ascertained the homogeneity of the crystals and little compositional ¯uctuation was observed. Five crystals, with x = 0.0, 1.0, 2.0, 3.0 and 4.0, were obtained. 2.2. X-ray intensity measurements For ...
... were examined using a JEOL JCMA-733 electronmicroprobe analyzer. The results of the chemical analyses ascertained the homogeneity of the crystals and little compositional ¯uctuation was observed. Five crystals, with x = 0.0, 1.0, 2.0, 3.0 and 4.0, were obtained. 2.2. X-ray intensity measurements For ...
Crystal structure of the simian immunodeficiency virus (SIV) gp41
... trimer in the asymmetric unit results in a solvent content of 0.44 (15). The crystals demonstrate high mosaicity and diffract anisotropically to a maximum resolution of 1.9 Å, but to only 2.2 Å in the orthogonal directions. Isomorphous crystals of similar size also were grown by using 30% PEG4000y0. ...
... trimer in the asymmetric unit results in a solvent content of 0.44 (15). The crystals demonstrate high mosaicity and diffract anisotropically to a maximum resolution of 1.9 Å, but to only 2.2 Å in the orthogonal directions. Isomorphous crystals of similar size also were grown by using 30% PEG4000y0. ...
NICKEL(II) PINCER COMPLEXES SUPPORTED BY 2,6
... Supervising Professor: H. V. Rasika Dias Ni(II) pincer complexes are among the most important and useful compounds in homogeneous catalysis. Significant advancement has been made in this field in recent years. Many Ni(II) pincer complexes have been prepared and utilized in various catalytic reaction ...
... Supervising Professor: H. V. Rasika Dias Ni(II) pincer complexes are among the most important and useful compounds in homogeneous catalysis. Significant advancement has been made in this field in recent years. Many Ni(II) pincer complexes have been prepared and utilized in various catalytic reaction ...
Structural changes of injection molded starch during heat treatment
... starch samples recorded at room temperature. Besides the reflections from Vh, present in some injectionmolded samples before wet conditioning (Fig. 1, middle), other reflections related to the crystal forms A (two upper curves) and B (four lower curves) reappear. By comparison of the three plots of Fi ...
... starch samples recorded at room temperature. Besides the reflections from Vh, present in some injectionmolded samples before wet conditioning (Fig. 1, middle), other reflections related to the crystal forms A (two upper curves) and B (four lower curves) reappear. By comparison of the three plots of Fi ...
Viscosity changes during crystallization of a shoshonitic magma
... around the rods, and we prepared both normal cross sections and sections tangential to the elongated rods. Subsequently, temperatures were lowered and the sampling procedures were repeated. For each experimental temperature, a new alumina rod was used to avoid any possible contamination from previou ...
... around the rods, and we prepared both normal cross sections and sections tangential to the elongated rods. Subsequently, temperatures were lowered and the sampling procedures were repeated. For each experimental temperature, a new alumina rod was used to avoid any possible contamination from previou ...
An introduction to minerals and rocks under the microscope
... Special Restrictions which may apply to the content. For example there may be times when the Creative Commons Non-Commercial Sharealike licence does not apply to any of the content even if owned by us (The Open University). In these instances, unless stated otherwise, the content may be used for per ...
... Special Restrictions which may apply to the content. For example there may be times when the Creative Commons Non-Commercial Sharealike licence does not apply to any of the content even if owned by us (The Open University). In these instances, unless stated otherwise, the content may be used for per ...
Construction of Porous Solids from Hydrogen
... from the reaction product and attached to a glass fiber using epoxy. Data were collected on a Siemens R3m/V autodiffractometer using graphite-monochromated Mo KR radiation and full 1.60° wide ω scans to a maximum of θ ) 25.08°, giving 2628 unique reflections. Lattice parameters were obtained from le ...
... from the reaction product and attached to a glass fiber using epoxy. Data were collected on a Siemens R3m/V autodiffractometer using graphite-monochromated Mo KR radiation and full 1.60° wide ω scans to a maximum of θ ) 25.08°, giving 2628 unique reflections. Lattice parameters were obtained from le ...
Amidine: Structure, Reactivity and Complexation Behaviour
... activity of a series of substituted benzamidines against the serine protease trypsin[24,25]. The fundamental premise of the LIE approximation is that the binding free energy of ligands to proteins can be calculated as a linear combination of ligand environment interaction differences between the bou ...
... activity of a series of substituted benzamidines against the serine protease trypsin[24,25]. The fundamental premise of the LIE approximation is that the binding free energy of ligands to proteins can be calculated as a linear combination of ligand environment interaction differences between the bou ...
Monitoring lidocaine singlecrystal dissolution by
... convection conditions prevailing. Prolonged quantitative dissolution experiments were not possible for lidocaine under the stagnant conditions applied due to deviation from Beer’s law. The images obtained for lidocaine indicate that UV imaging will also be suitable for less soluble compounds. The pr ...
... convection conditions prevailing. Prolonged quantitative dissolution experiments were not possible for lidocaine under the stagnant conditions applied due to deviation from Beer’s law. The images obtained for lidocaine indicate that UV imaging will also be suitable for less soluble compounds. The pr ...
The structure of the PII±ATP complex
... subunits in Fo±Fc maps. After rebuilding these C-terminal residues into the model, another round of SA followed by individual B factor refinement resulted in Rcryst of 24.9% (Rfree 30%). At this time numerous water molecules were added. Structure determination with the form III crystals The PII st ...
... subunits in Fo±Fc maps. After rebuilding these C-terminal residues into the model, another round of SA followed by individual B factor refinement resulted in Rcryst of 24.9% (Rfree 30%). At this time numerous water molecules were added. Structure determination with the form III crystals The PII st ...
The Extended and Eccentric E-DNA Structure Induced by Cytosine
... helix axis. However, the 3′-endo sugar conformation gives the characteristic deep major groove and shallow minor groove of A-DNA. Also, if allowed to crystallize for a period of time longer than that yielding E-DNA, the methylated sequence forms standard A-DNA, suggesting that E-DNA is a kinetically ...
... helix axis. However, the 3′-endo sugar conformation gives the characteristic deep major groove and shallow minor groove of A-DNA. Also, if allowed to crystallize for a period of time longer than that yielding E-DNA, the methylated sequence forms standard A-DNA, suggesting that E-DNA is a kinetically ...
FELDSPARS, EXSOLUTION, ZONING, and TWINNING
... Albite: Seen only in triclinic feldspars. Albite twins may be growth, deformation, or transformation (formed when the crystal is transformed from mono- to triclinic) twins. Albite twinning is polysynthetic contact twinning. It is seen as numerous individual twins, parallel to each other, in thin sec ...
... Albite: Seen only in triclinic feldspars. Albite twins may be growth, deformation, or transformation (formed when the crystal is transformed from mono- to triclinic) twins. Albite twinning is polysynthetic contact twinning. It is seen as numerous individual twins, parallel to each other, in thin sec ...
D.C. electrical conductivity measurements on ADP single crystals
... impurity has entered into the ADP lattice or not, we carried out the density measurements by using the flotation technique. Carbon tetrachloride of density, 1⋅594 g/cc and bromoform of density, 2⋅890 g/cc, are respectively the lower density and higher density liquids, used. As it was difficult to de ...
... impurity has entered into the ADP lattice or not, we carried out the density measurements by using the flotation technique. Carbon tetrachloride of density, 1⋅594 g/cc and bromoform of density, 2⋅890 g/cc, are respectively the lower density and higher density liquids, used. As it was difficult to de ...
The three-dimensional structure of a photosystem II core complex
... crystallised complexes are of similar size and have similar topological features, the most prominent being a central low density region flanked by two prominent regions of protein density, which appear to be related by a twofold rotational symmetry axis. Despite their similarities, these projection ...
... crystallised complexes are of similar size and have similar topological features, the most prominent being a central low density region flanked by two prominent regions of protein density, which appear to be related by a twofold rotational symmetry axis. Despite their similarities, these projection ...
New polyanion-based cathode materials for alkali
... Li3 Fe2(HPO3)3Cl, LiFe(HPO3)2, Li0.8 Fe(H2O)2B[P2O8]•H2O and AFePO4NO3 (A = NH4/Li, K). Furthermore, for each material the electrochemical performance for insertion of Li+ ion has been studied by means of various electrochemical techniques to reveal the nature of alkali ion insertion. In addition Na ...
... Li3 Fe2(HPO3)3Cl, LiFe(HPO3)2, Li0.8 Fe(H2O)2B[P2O8]•H2O and AFePO4NO3 (A = NH4/Li, K). Furthermore, for each material the electrochemical performance for insertion of Li+ ion has been studied by means of various electrochemical techniques to reveal the nature of alkali ion insertion. In addition Na ...
A few words about possible applications
... 200 nm – 10 µm, impact the propagation of light inside them in a way similar to how semiconductor crystals impact the propagation of electrons. The solution of Maxwell equations for such structures shows the presence of wavelengths forbidden for the light propagation, which are called photonic band ...
... 200 nm – 10 µm, impact the propagation of light inside them in a way similar to how semiconductor crystals impact the propagation of electrons. The solution of Maxwell equations for such structures shows the presence of wavelengths forbidden for the light propagation, which are called photonic band ...
The Urinary F1 Activation Peptide of Human
... those present in calcium oxalate (CaOx) crystals newly precipitated from fresh human urine [3-5]. These studies indicated that, despite the hundreds of proteins known to be present in human urine, relatively few actually participate directly in the nucleation and growth of CaOx crystals: the organic ...
... those present in calcium oxalate (CaOx) crystals newly precipitated from fresh human urine [3-5]. These studies indicated that, despite the hundreds of proteins known to be present in human urine, relatively few actually participate directly in the nucleation and growth of CaOx crystals: the organic ...
Roles of Conformational and Positional Adaptability in
... Wing II and pocket residues. The NNIBP is expanded in the region surrounding the bulkier Wing I in the R120393 complex structure relative to the R129385 complex. The inhibitor-protein interaction with the main-chain carbonyl oxygen of Lys101, an interaction that is conserved for bound DATA, ITU, TIB ...
... Wing II and pocket residues. The NNIBP is expanded in the region surrounding the bulkier Wing I in the R120393 complex structure relative to the R129385 complex. The inhibitor-protein interaction with the main-chain carbonyl oxygen of Lys101, an interaction that is conserved for bound DATA, ITU, TIB ...
Crystallographic database
A crystallographic database is a database specifically designed to store information about the structure of molecules and crystals. Crystals are solids having, in all three dimensions of space, a regularly repeating arrangement of atoms, ions, or molecules. They are characterized by symmetry, morphology, and directionally dependent physical properties. A crystal structure describes the arrangement of atoms, ions, or molecules in a crystal. (Molecules need to crystallize into solids so that their regularly repeating arrangements can be taken advantage of in X-ray, neutron, and electron diffraction based crystallography.)Crystal structures of crystalline material are typically determined from X-ray or neutron single-crystal diffraction data and stored in crystal structure databases. They are routinely identified by comparing reflection intensities and lattice spacings from X-ray powder diffraction data with entries in powder-diffraction fingerprinting databases.Crystal structures of nanometer sized crystalline samples can be determined via structure factor amplitude information from single-crystal electron diffraction data or structure factor amplitude and phase angle information from Fourier transforms of HRTEM images of crystallites. They are stored in crystal structure databases specializing in nanocrystals and can be identified by comparing zone axis subsets in lattice-fringe fingerprint plots with entries in a lattice-fringe fingerprinting database.Crystallographic databases differ in access and usage rights and offer varying degrees of search and analysis capacity. Many provide structure visualization capabilities. They can be browser based or installed locally. Newer versions are built on the relational database model and support the Crystallographic Information File (CIF) as a universal data exchange format.