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Critical test of quantum cluster equilibrium theory: Formic acid at B3LYP/6-31+G* hybrid density functional level (1998)

Wendt, Mark A. ; Weinhold, Frank ; Farrar, Thomas C.

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 109 (1998), S. 5945-5947

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: The recently developed quantum cluster equilibrium (QCE) theory is used at the B3LYP/6-31+G* level of hybrid density functional theory to calculate the equilibrium cluster populations for formic acid vapor, whose quantitative cluster composition was determined by Coolidge and others through precise spectroscopic and vapor-density measurements over a wide range of temperature and pressure. Unlike previous experimental tests of QCE theory in which T,P-dependent cluster polpulations enter only indirectly (e.g., through convolutions with calculated cluster spectroscopic properties, yielding comparison with inhomogeneously braodened "average" spectral features), the present comparison is able to directly test the QCE population distributions. Nearly exact agreement between theory and experiment is found over the entire span of measurements, confirming that QCE theory satisfactorily predicts the T,P-dependent concentrations of individual cluster species, as well as the cruder population-weighted averages that enter less-sensitive comparisons with experiment. © 1998 American Institute of Physics.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.477218

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Decorin and suramin inhibit ocular fibroblast collagen production (1997)

Mietz, Holger ; Chévez-Barrios, Patricia ; Lieberman, Michael W. ; [et al.]

Springer

Graefe's archive for clinical and experimental ophthalmology 235 (1997), S. 399-403

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ISSN: 1435-702X

Source: Springer Online Journal Archives 1860-2000

Topics: Medicine

Notes: Abstract • Background: The process of ocular wound healing with respect to glaucomatous filtering procedures is of current interest. Delaying this response in patients could possibly lead to more favorable surgical results. So far, only highly toxic antimetabolites have come into frequent clinical use. The possible efficacy of other groups of substances such as growth factor inhibitors has not yet been examined in vitro. • Methods: We exposed Tenon's capsule fibroblasts in tissue culture to various concentrations of decorin and suramin. The dose responses of type I and type III collagen to these inhibitors were measured using an ELISA-type dot blot assay. Total cellular protein production was assayed by measuring the incorporation of tritiated leucine. • Results: At a concentration of 10 μg/ml, suramin reduced the collagen production by more than 80%. Decorin, at a concentration of 100 μg/ml, reduced type I collagen production by about 50% while type III collagen was reduced by 80%. At these concentrations, the total cellular protein production was not inhibited. • Conclusions: Both suramin and decorin, which specifically inhibit the action of growth factors on target cells, reduce the production of collagen synthesis by Tenon's capsule fibroblasts. This is a specific effect, because total protein production is not influenced. This sets these substances apart from antimetabolites. Decorin and suramin may have clinical relevance in that they appear to interfere with ocular wound healing more specifically than the substances so far frequently used.