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  • 11
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    Amsterdam : Periodicals Archive Online (PAO)
    Vigiliae Christianae. 48 (1994) 65 
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  • 12
    ISSN: 1572-8951
    Keywords: Rubisco ; carboxylation ; oxygenation ; transition structure ; catalysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract We construct a theoretical model of the transition structure for the carboxylation reaction of ribulose-1,5-biphosphate catalyzed by Rubisco. This is a first-order saddle point on the energy hypersurface for the nucleophilic attack of carbon dioxide on CH3-(CHOH)3-CH3 at the C2 center.Ab initio analytical gradients methods at a 4-31G basis set level are used. The carbon framework and oxygens of the stationary structure superpose with the corresponding atoms of 2-carboxyarabinitol-1,5-biphosphate, which is a transition state analog that has recently been highly refined with X-ray methods. The hydroxyl group in C3 iscis to the C2 oxygen. The C3 center is somewhat pyramidized, the dienol O2-C2-C3-O3 is not planar. The geometry of the transition state allows for simple explanations of both the enolization of Rubisco's substrate ribulose-1,5-biphosphate, O3PO-CH2-CO-(CHOH)2-CH2-OPO3 and oxygenation reaction. The former is due to the pyramidal deformation at C3 and out of plane of O2-C2-C3-O3 framework: the enoliation is intramolecular and is probably enhanced by proton tunnelling. The latter is related with the fact that a rotation around an ethylene-like bond brings the triplet state down in energy. The reactive skeleton has a stationary geometry in the triplet state not very different from the one obtained in the global transition structure. There, the triplet is only 9 kcal/mol above the singlet. The spin densities at C2 and C3 centers clearly indicate the place where oxygenation will take place.
    Type of Medium: Electronic Resource
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  • 13
    Electronic Resource
    Electronic Resource
    Springer
    Basic research in cardiology 86 (1991), S. 219-226 
    ISSN: 1435-1803
    Keywords: “stunned”myocardium ; ischemia ; contractileproteins ; myofibrillarATPase ; phosphorylation ofcontractileproteins
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary The isolated working rabbit heart preparation was used to study whether the “contractile machinery” remains unchanged in globally stunned myocardium. The function of the heart has been measured in nonischemic and postischemic conditions. The effect of isoprenaline or calcium chloride administration in both conditions was also studied. Myocardial contractile function was significantly depressed after 20-min global ischemia and returned to normal after CaCl2 and supranormal values after isoprenaline administration. From hearts used in experiments myofibrils were prepared and their ATPase activity was determined. It was observed that myofibrils prepared from “stunned” myocardium showed about 50 % increase in ATPase activity in the presence of CaCl2. Subjection of the heart to ischemia caused a decrease in calcium sensitivity of the myofibrillar ATPase. Myofibrils obtained from ischemic hearts but subjected to isoprenaline or CaCl2 administration exhibited increased calcium sensitivity over that of control heart. These effects were accompanied by changes in the extent of phosphorylation of troponin I (TNI) and myosin light chains. The modification of contractile apparatus in the postischemic period described in this paper may contribute to the overall mechanism of myocardial stunning.
    Type of Medium: Electronic Resource
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  • 14
    Electronic Resource
    Electronic Resource
    Springer
    Journal of child and family studies 3 (1994), S. 327-336 
    ISSN: 1573-2843
    Keywords: Attention Deficit Hyperactivity Disorder ; Post-Traumatic Stress Disorder ; comorbidity ; hyperarousal ; treatment
    Source: Springer Online Journal Archives 1860-2000
    Topics: Psychology , Sociology
    Notes: Abstract Attention Deficit Hyperactivity Disorder (ADHD) and Post-Traumatic Stress Disorder (PTSD) show a high degree of comorbidity in traumatized children. Two hypotheses may help explain this relationship: children with ADHD are at higher risk for trauma due to their impulsivity, dangerous behaviors, and parents who may have a genetic predisposition for impairment of their own impulse control; and hyperarousal induced by severe trauma and manifested by hypervigilance and poor concentration may impair attention to create an ADHD-like syndrome. Four illustrative cases are presented, and implications for treatment are discussed.
    Type of Medium: Electronic Resource
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  • 15
    ISSN: 1573-2843
    Keywords: substance abuse ; Mexican-American youth ; cultural factors ; sociodemographic factors ; depressive symptomatology
    Source: Springer Online Journal Archives 1860-2000
    Topics: Psychology , Sociology
    Notes: Abstract Much emphasis has been placed on the significant substance abuse problem being faced by Hispanic as well as other minority youth in the United States. However, little research has focused on the relative importance of culturally determined factors in the development of substance abuse in Hispanic youths. In this study, we propose an approach to measuring cultural factors through the activity orientations that youths endorse. We studied over 4000 Mexican-American and Mexican youths living along the U.S.-Mexico border with respect to their recent drug use, problem drug use, depressive symptomatology, and their activity orientation. While culturally related activity orientation does significantly increase risk for substance abuse, we found that symptoms of distress/depression and sociodemographic factors exerted a stronger effect on these youths.
    Type of Medium: Electronic Resource
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  • 16
    Electronic Resource
    Electronic Resource
    Springer
    Journal of child and family studies 2 (1993), S. 1-4 
    ISSN: 1573-2843
    Source: Springer Online Journal Archives 1860-2000
    Topics: Psychology , Sociology
    Type of Medium: Electronic Resource
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  • 17
    Electronic Resource
    Electronic Resource
    Springer
    Journal of child and family studies 2 (1993), S. 109-118 
    ISSN: 1573-2843
    Keywords: cystic fibrosis ; chronic illness ; family adjustment ; childhood adjustment
    Source: Springer Online Journal Archives 1860-2000
    Topics: Psychology , Sociology
    Notes: Abstract Family adaptation has been commonly associated with the psychological adjustment of chronically ill children. However, few studies have attempted to systematically evaluate this association and its relationship to illness severity. We studied 44 children ages 7 to 15 and their families at a large cystic fibrosis center and obtained measures of 1) impact of illness on the family; 2) family functioning; 3) behavioral adjustment; 4) social competence; 5) ratings of anxiety, depressive, and eating disorder symptoms; and 6) ratings of illness severity and duration. Impact of illness on the family and overall family dysfunction were significantly correlated with illness severity, but not duration. However, impact of illness on the family was significantly correlated with internalizing behavioral symptoms, while family dysfunction was correlated with depressive symptomatology. These findings suggest that illness-related stress is primarily reflected in general emotional and behavioral symptoms, with familial adaptation either ameliorating or exacerbating their development into depressive symptomatology.
    Type of Medium: Electronic Resource
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  • 18
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 48 (1993), S. 175-186 
    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 ab initio perturbed ion study using X-ray diffraction data has been carried out for ZrSiO4 (zircon), ZrO2 (monoclinic zirconia, baddeleyite), and SiO2 (α-cristobalite) crystal lattice structures. The different substitutions of V4+ for Zr4+ and Si4+ occurring in these host lattices have been analyzed. Geometry optimizations have been performed with the aim of determining the relative stability, cell parameters, and force constants of radial displacement associated with the local relaxation for pure and doped structures. Numerical results are confronted against experimental data and compared with previous results. The geometrical cell parameters of different structures obtained by computer simulation and the results of the X-ray diffraction studies agree with previous experimental data. For the zircon lattice, the substitution of V4+ for Zr4+ at an eightfold-coordinated site is energetically favorable while the substitution of V4+ for Si4+ at a fourfold-coordinated site is unstable. For ZrO2, the substitution of V4+ for Zr4+ is energetically favorable while the substitution of V4+ for Si4+ in SiO2 is energetically unfavorable. There is less sensitive influence of the crystal lattice parameters for substitutions occurring at the eightfold-coordinated ion site in ZrSiO4 and SiO2 structures. The doping process produces a decrease of force constant (k) values associated with the breathing fundamental vibrational mode for all structures. The k associated with the radial displacement in dodecahedral substitution in the ZrSiO4 structure is especially high. The force constants for this movement in tetrahedral substitution in the ZrSiO4, ZrO2, and SiO2 structures have a lower value. The differences between ionic radii reported by Shannon and Prewitt of the species concerned in the doping process are not capable of explaining the relaxation of crystal lattice parameters in the ZrO2 and SiO2 structures. © 1993 John Wiley & Sons, Inc.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 19
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 48 (1993), S. 643-653 
    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: AM1 and MNDO semiempirical electronic calculations have been carried out for ZnO surface ((ZnO)n, n = 11, 16, 22, 24, 33, 42, and 44) cluster models. The theoretical results can be summarized as follows: (i) the energy gap HOMO-LUMO is shown to be dependent on the cluster size and geometry optimization; however, better agreement of this gap with experimental data is obtained with cluster of limited size (n = 16, 22, and 24). (ii) The Mulliken charge of the cluster zinc ion is invariant with the optimization procedure, showing an average value of 0.52 a.u. (MNDO) and 0.62 a.u. (AM1). © 1993 John Wiley & Sons, Inc.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
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