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  • 1
    ISSN: 1520-6882
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Section 48 (1992), S. 175-180 
    ISSN: 0584-8539
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 105 (1996), S. 6995-6996 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A simple accurate lower bound for all the bound-state systems, for the first-order gradient correction to the exchange-energy functional, viz., |K2[ρ]|=β∫[|∇ρ(r)|2/(ρ4/3(r))] dr≥27(π/2) 4/3β〈ρ(r)〉1/3≡0.271〈ρ〉1/3 has been derived where 〈ρ(r)〉 is the average electron density. The result is numerically analyzed. An empirical relationship between |K2[ρ]| and 〈ρ〉 for neutral atoms has also been proposed. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 4
    ISSN: 1573-904X
    Keywords: emulsions ; stability ; field-flow fractionation ; size distribution
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The combination of sedimentation field-flow fractionation (SedFFF) and photon correlation spectroscopy (PCS) is shown to provide a detailed record of the droplet sizes present in fat emulsions commonly used in parenteral nutrition. The technique presented has been used to record size distribution data for a particular emulsion (Liposyn-II), demonstrating its high stability and lot-to-lot uniformity. The technique is also able to demonstrate how additions of small amounts of electrolytes [0.45% (w/v) NaCl, 0.05% (w/v) CaCl2] tend to destabilize the emulsion, suggesting some caution in the use of total parenteral nutrition (TPN) mixtures. In contrast, a 1:1 mixture with human serum caused no sign of instability in the Liposyn-II. Using the emulsion as a carrier for lipophilic drugs necessitates adding solutions of the drug in nonaqueous solvents, such as DMSO (dimethyl sulfoxide). This solvent's destabilizing effect results in a droplet coalescence that becomes severe after 3–5 days following a 10% (v/v) addition, while a 5% (v/v) addition reaches the same level of coalescence in 10 days.
    Type of Medium: Electronic Resource
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  • 5
    ISSN: 1573-904X
    Keywords: cosalane ; solubility ; facilitated dissolution ; partition coefficient ; group contribution approach ; pH-solubility behavior
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Purpose. The selection of cosalane (NSC 658586) by the National Cancer Institute for further development as a potential drug candidate for the treatment of AIDS led to the exploration of the solubility behavior of this extremely hydrophobic drug, which has an intrinsic solubility (S0) approaching 1 ng/ml. This study describes attempts to reliably measure the intrinsic solubility of cosalane and examine its pH-solubility behavior. Methods. S0 was estimated by 5 different strategies: (a) direct determination in an aqueous suspension; (b) facilitated dissolution; (c) estimation from the octanol/water partition coefficient and octanol solubility; (d) application of an empirical equation based on melting point and partition coefficient; and (e) estimation from the hydrocarbon solubility and functional group contributions for transfer from hydrocarbon to water. Results. S0 estimates using these five methods varied over a 5 × 109-fold range. Method (a) yielded the highest values, two-orders of magnitude greater than those obtained by method (b) (facilitated dissolution, 1.4 ± 0.5 ng/ml). Method (c) gave a value 20-fold higher while that from method (d) was in fair agreement with that from facilitated dissolution. Method (e) yielded a value several orders-of-magnitude lower than other methods. A molecular dynamics simulation suggests that folded conformations not accounted for by group contributions may reduce cosalane's effective hydrophobicity. Ionic equilibria calculations for this weak diprotic acid suggested a 100-fold increase in solubility per pH unit increase. The pH-solubility profile of cosalane at 25°C agreed closely with theory. Conclusions. These studies highlight the difficulty in determining solubility of very poorly soluble compounds and the possible advantage of the facilitated dissolution method. The diprotic nature of cosalane enabled a solubility enhancement of 〉107-fold by simple pH adjustment.
    Type of Medium: Electronic Resource
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  • 6
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound has been synthesized and its crystal structure determined at room temperature.M r =731.39, triclinic, space groupP¯1,a=9.020(3),b=11.280(7),c=7.784(2)Å,α=97.05(4),β=97.08(2), γ=105.32(4)°, U=748(1)Å3,Z=1,D calc.=1.624 g/cm3. The finalR is 0.030 for 3095 independent observed reflections withI≥3σ(I). The crystal structure consists of repeated [Ni(im)4(H2O)2]2+ cations and noncoordinated saccharin anions. In the complex cation [Ni(im)4(H2O)2]2+, Ni2 is bonded to four N atoms from four imidazole molecules and two O atoms from two water molecules forming an approximately square octahedral stereochemistry. The d-d transition spectrum of the title compound is also reported and is explained perfectly with the scaling radial theory which was proposed by us.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    Adsorption 1 (1995), S. 103-112 
    ISSN: 1572-8757
    Keywords: adsorption ; mixtures ; activity coefficients ; zeolites
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Physics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Abstract Experimental and simulated data for adsorption of gas mixtures on energetically heterogeneous surfaces like activated carbon and zeolites exhibit negative deviations from ideality. The deviations are large in some cases, with activity coefficients at infinite dilution equal to 0.1 or less. Similar molecules form ideal mixtures, but molecules of different size or polarity are nonideal. Equations for bulk liquid mixtures (Wilson, Margules, etc.) do not apply to isobars for adsorbed mixtures. A two-constant equation for activity coefficients as a function of composition and spreading pressure is in good agreement with theory, simulation, and experiment.
    Type of Medium: Electronic Resource
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