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  • 1
    ISSN: 1432-2048
    Keywords: Carboxylation efficiency ; Compensation point (CO2) ; Photosynthesis (temperature, humidity) ; Quercus ; Sclerophyll
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract The carbon-dioxide response of photosynthesis of leaves of Quercus suber, a sclerophyllous species of the European Mediterranean region, was studied as a function of time of day at the end of the summer dry season in the natural habitat. To examine the response experimentally, a “standard” time course for temperature and humidity, which resembled natural conditions, was imposed on the leaves, and the CO2 pressure external to the leaves on subsequent days was varied. The particular temperature and humidity conditions chosen were those which elicited a strong stomatal closure at midday and the simultaneous depression of net CO2 uptake. Midday depression of CO2 uptake is the result of i) a decrease in CO2-saturated photosynthetic capacity after light saturation is reached in the early morning, ii) a decrease in the initial slope of the CO2 response curve (carboxylation efficiency), and iii) a substantial increase in the CO2 compensation point caused by an increase in leaf temperature and a decrease in humidity. As a consequence of the changes in photosynthesis, the internal leaf CO2 pressure remained essentially constant despite stomatal closure. The effects on capacity, slope, and compensation point were reversed by lowering the temperature and increasing the humidity in the afternoon. Constant internal CO2 may aid in minimizing photoinhibition during stomatal closure at midday. The results are discussed in terms of possible temperature, humidity, and hormonal effects on photosynthesis.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 1432-2048
    Keywords: Carboxylation efficiency ; Compensation point (CO2) ; Photosynthesis (temperature, humidity) ; Sclerophyll ; Transpiration
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract The effect of temperature on photosynthesis at constant water-vapor pressure in the air was investigated using two sclerophyll species, Arbutus unedo and Quercus suber, and one mesophytic species, Spinacia oleracea. Photosynthesis and transpiration were measured over a range of temperatures, 20–39° C. The external concentration of CO2 was varied from 340 μbar to near CO2 compensation. The initial slope (carboxylation efficiency, CE) of the photosynthetic response to intercellular CO2 concentration, the CO2 compensation point (Γ), and the extrapolated rate of CO2 released into CO2-free air (R i) were calculated. At an external CO2 concentration of 320–340 μbar CO2, photosynthesis decreased with temperature in all species. The effect of temperature on Γ was similar in all species. While CE in S. oleracea changed little with temperature, CE decreased by 50% in Q. suber as temperature increased from 25 to 34° C. Arbutus unedo also exhibited a decrease in CE at higher temperatures but not as marked as Q. suber. The absolut value of R i increased with temperature in S. oleracea, while changing little or decreasing in the sclerophylls. Variations in Γ and R i of the sclerophyll species are not consistent with greater increase of respiration with temperature in the light in these species compared with S. oleracea.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 45 (1993), S. 649-663 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The spin distribution in a stable nitroxide biradical that shows ferromagnetic interactions in the solid phase has been studied at three levels of theory: First, at the UHF level; then, including correlation effects in UMP2 calculations; and finally, the results are compared with the spin density obtained using the local density functional (LDF) approximation. It is shown that LDF spin densities are closer to UMP2 than to UHF predictions; the difference between the UHF and the (UMP2, LDF) results points to a redistribution of the spin repartition between N and O due to electronic correlation. For planar conformations of the NO group, there is symmetric distribution (D2d) of the spin density on the adamantane skeleton. For nonplanar nitroxides, the molecule is chiral (C2), which results in a breakdown of the spin transmission on part of the adamantane cage. © 1993 John Wiley & Sons, Inc.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 52 (1994), S. 191-197 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Enantioselective hydrogenation of α-ketoesters with cinchona-modified platinum catalysts has been studied theoretically in order to rationalize the interaction between the chiral modifier and the substrate. The structure of the probable transition complex has been calculated for the system methyl pyruvate (substrate)-cinchonidine (modifier) using quantum chemistry techniques at both ab initio and semiempirical levels and molecular mechanics. The calculations indicate that crucial interaction occurs via hydrogen bonding of the quinuclidine nitrogen and the oxygen of the α-carbonyl moiety of methyl pyruvate and confirm earlier experimental evidence that the quinuclidine nitrogen of the cinchonidine is involved in the interaction leading to enantiodifferentiation. The resulting complex, which resembles to a half-hydrogenated state of the substrate, is shown to be a possible transition state for the enantioselective hydrogenation of α-ketoesters. © 1994 John Wiley & Sons, Inc.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 5
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An investigation of the influence of various gradient-corrected exchange and correlation functionals on the bond lengths and dipole moments of CO and N2O has been carried out using density functional theory. It is shown that whereas some functionals are found to be more sensitive to the basis set quality than are others, the more commonly used gradient-corrected functionals lead to properties in very good agreement with experiment provided that a sufficiently large basis set is employed. © 1995 John Wiley & Sons, Inc.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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