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Solubility and molecular modeling of triflumizole-β-cyclodextrin inclusion complexes (1995)

Klein, Ch. Th. ; Köhler, G. ; Mayer, B. ; [et al.]

Springer

Journal of inclusion phenomena and macrocyclic chemistry 22 (1995), S. 15-32

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ISSN: 1573-1111

Keywords: β-Cyclodextrin ; triflumizole ; host-guest complex ; inclusion complex ; solvent accessible surface ; solubility enhancement ; hydrophobic effect ; dynamic Monte Carlo molecular docking

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Abstract Solubility enhancement of the fungicide triflumicole byβ-cyclodextrin is explained using a thermodynamic approach. The influence of organic cosolvents on the overall equilibrium constants of triflumizole complexation withβ-cyclodextrin in aqueous solutions has been investigated. Their variance in mixed solvents is only partly explained by a competitive inclusion of substrate and cosolvent molecules inβ-cyclodextrin. The geometries of host-guest complexes have been estimated by molecular mechanics calculations. Their broad structural variety caused by the flexibility of host and guest molecules and different association possibilities of triflumizole have been analysed by a dynamic Monte Carlo docking method. The hydrophobic effect has been simulated by cominimization of the hydrophobic contributions to the solvation energy, calculated from the solvent accessible surface area of the complex and the conformational (potential) energy.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF00706495

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Omental angiogenic lipid fraction and bone repair. An experimental study in the rat (1989)

Nottebaert, M. ; Lane, J. M. ; Juhn, A. ; [et al.]

Hoboken, NJ [u.a.] : Wiley-Blackwell

Journal of Orthopaedic Research 7 (1989), S. 157-169

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ISSN: 0736-0266

Keywords: Angiogenesis ; Bone healing ; Bone repair ; Life and Medical Sciences

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Medicine

Notes: A lipid material extracted from the omentum has previously been shown to contain a potent angiogenetic activator (20), capable of creating intense vasoproliferation in traumatized tissues (19). This study was undertaken to analyze the efficacy of local administration of this omental lipid fraction on osseous vascularization and bone repair. An osteoperiosteal segmental femoral defect in the rat was replaced by a demineralized allogenic bone graft exposed to continuous local delivery of omental lipid via an implanted miniosmotic pump. Saline solution delivered in the same way served as a control. Neovascularization and bone formation in the transplant were quantitatively evaluated by means of dynamic radioisotopic bone imaging, radiographic photodensitometry, microangiography, and biomechanical testing. Compared with the control group, the omental lipid angiogenic fraction-treated specimens showed an 80% overall increase (p 〈 0.001) in bone density as well as a twofold increase (p 〈 0.001) in regional blood perfusion, maximal at 2 weeks following surgery. At 12 weeks, biomechanical testing demonstrated significantly higher union rate (p 〈 0.05) and strength (p 〈 0.01) in the treated specimens as compared with the controls. These data demonstrate that the omental lipid fraction factor has potent angiogenic properties that enhance bone blood perfusion and bone regeneration.

Additional Material: 11 Ill.