Vascular visualization is crucial in monitoring, diagnosing, and treating vascular diseases. Laser speckle contrast imaging (LSCI) is widely used for imaging blood flow in shallow or exposed vessels. However, traditional contrast computation using a fixed-sized sliding window introduces noise.
View Article and Find Full Text PDFJ Mol Graph Model
September 2007
The geometries, lattice parameters, electronic structures, XRD spectra and optical properties of the 3-nitro-1,2,4-triazol-5-one (NTO) crystals at high pressure (2, 4, 6, 8 and 10GPa) have been studied using density functional theory within the generalized gradient approximation implemented using ultrasoft pseudo-potentials. The computational results show that with increasing pressure, the NTO lattice parameters and hydrogen bonds lengths rapidly decrease and the geometries change very little. The total energy increases by approximately 27.
View Article and Find Full Text PDFIn the polymeric title compound, [Co(3)(btc)(2)(phen)(2)(H(2)O)(2)](n) [btc is the benzene-1,2,4-tricarboxylate trianion (C(9)H(3)O(6)) and phen is 1,10-phenanthroline (C(12)H(8)N(2))], there are two different Co centres, Co1 and Co2. The Co1 centre has a deformed trigonal-bipyramidal geometry, while the Co2 centre lies on an inversion centre and has distorted octahedral geometry. Moreover, the 1,2-dicarboxylate groups of one btc ligand bridge the two adjacent Co2 centres, and each Co2 centre is coordinated by four carboxylate O atoms from four different btc ligands, forming a novel kind of intersecting double-chain structure, with a Co.
View Article and Find Full Text PDFIn the title complex, [Cu(2)(C(10)H(2)O(8))(C(10)H(8)N(2))(2)](n), the Cu(II) cation has a four-coordinated environment, completed by two carboxyl O atoms belonging to two 1,2,4,5-benzenetetracarboxylate anions (TCB(4-)) and two N atoms from one 2,2'-bipyridine (2,2'-bipy) ligand, forming a distorted square-planar geometry. The [Cu(2,2'-bipy)](2+) moieties are bridged by TCB(4-) anions, which lie about inversion centres, forming an infinite one-dimensional coordination polymer with a double-chain structure along the a axis. A two-dimensional network structure is formed via a face-to-face pi-pi interaction between the 2,2'-bipy rings belonging to two adjacent double chains, at a distance of approximately 3.
View Article and Find Full Text PDFIn the title compound, [Cu(C(5)H(4)ClNO)(2)(C(4)H(4)N(2))(H(2)O)(2)](ClO(4))(2), the Cu atom, which lies on an inversion centre, has an octahedral environment. The pyrazine ligand also lies about an inversion centre and links adjacent Cu atoms into a chain running along the b axis; perchlorate anions occupy the space between the chains, and the chains use the coordinated water molecules to link to the anions, resulting in a hydrogen-bonded ribbon structure. The donor 5-chloro-2-hydroxypyridine ligand exists in the zwitterionic form, i.
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