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  • Theoretical, Physical and Computational Chemistry  (7)
  • Ethanol  (6)
  • 1
    Electronic Resource
    Electronic Resource
    Ethanol as a reinforcer for rats: Effects of concurrent access to water and alternate positions of water and ethanol (1975)
    Springer
    Psychopharmacology 43 (1975), S. 19-23 
    Details
    ISSN: 1432-2072
    Keywords: Ethanol ; Ethanol Drinking ; Water-Ethanol Choice ; Concurrent Schedules ; Ethanol Concentration ; Ethanol Reinforcement ; Rats
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Water and ethanol solutions were concurrently made available on a continuous reinforcement schedule to 4 food-deprived male albino rats during daily 1-hr sessions in an operant conditioning chamber equipped with 2 levers and 2 liquid dippers. The number of ethanol reinforcements substantially exceeded the number of water reinforcements for each rat at each concentration studied (8, 16, and 32% w/v). Water reinforcements were low in number and did not vary with ethanol concentration. As the ethanol concentration was increased, the number of ethanol reinforcements obtained decreased, while the quantity consumed (mg/100 g of body weight/hr) increased. The highest rate of responding occurred at the beginning of the session.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00437609
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  • 2
    Electronic Resource
    Electronic Resource
    Rapid establishment of ethanol as a reinforcer for rats (1974)
    Springer
    Psychopharmacology 37 (1974), S. 311-321 
    Details
    ISSN: 1432-2072
    Keywords: Rats ; Ethanol ; Ethanol Reinforcement ; Acquisition ; Schedule-Induced-Polydipsia ; Ethanol Concentration
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Daily 6-h sessions were run during which each lever press by rats produced brief access to water, or to 8
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00428917
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Instrumental analysis of ethanol-induced intoxication in human males (1986)
    Springer
    Psychopharmacology 89 (1986), S. 8-13 
    Details
    ISSN: 1432-2072
    Keywords: Ethanol ; Blood ethanol concentration ; Instrumental response ; Verbal behavior ; Time-effect relations ; Human subjects
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract A study was conducted to assess subjective reports of intoxication during the ascending phase of the plasma ethanol curve. Eighteen male social drinkers were divided into three groups and were given either placebo, 0.347 g/kg ethanol or 0.694 g/kg ethanol under double-blind conditions. Subjects reported levels of intoxication both instrumentally, by moving a joystick device, and verbally using an 11-point self-rating scale. Compared to placebo, ethanol produced significantly higher verbal self-rating scores, but there were no differences in the scores between the low-and high-dose ethanol groups. Instrumental responses of ethanol effects did, however, distinguish between the two ethanol treatments. All subjects who received ethanol reliably detected its effects when plasma ethanol levels reached 32 mg/dl, but only the subjects who received the high dose reported episodes of intense well-being or euphoria. Ethanol-induced euphoria occurred while plasma ethanol levels were rapidly rising, and was characterized by multiple, paroxysmal episodes that typically lasted about 3 min each. This study demonstrated that a continuously available instrumental response provided sensitive and reliable measures of rapidly changing behavioral states associated with ethanol-induced intoxication.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00175181
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  • 4
    Electronic Resource
    Electronic Resource
    An evaluation of the selectivity of fenmetozole (DH-524) reversal of ethanol-induced changes in central nervous system function (1980)
    Springer
    Psychopharmacology 69 (1980), S. 149-155 
    Details
    ISSN: 1432-2072
    Keywords: Fenmetozole ; Ethanol ; Aerial righting reflex ; Conflict behavior ; Guanosine 3′,5′-monophosphate ; Physical dependence ; Physiological antagonism
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract The selectivity and specificity of fenmetozole (DH-524) [2(3,4-dichlorophenoxy-methy))2-imidazole HCl] as an antagonist of the actions of ethanol were examined. Fenmetozole (15–30 g/kg) reduced ethanol-induced impairment of the aerial righting reflex without changing blood or brain ethanol content, indicating that the antagonistic actions of fenmetozole were not due to change in the pharmacokinetics of ethanol. Since fenmetozole also reduced aerial righting reflex impairment due to phenobarbital, chlordiazepoxide, and halothane, this action of fenmetozole was not specific to ethanol. In mice, both the ethanolinduced increase in locomotor activity at 2.0 g/kg and the decrease caused by 4.0 g/kg were antagonized by fenmetozole. In addition, fenmetozole attenuated the ethanol-induced reduction in cerebellar cyclic guanosine monophosphate (cGMP) content, but the drug also significantly elevated cGMP levels in this tissue when given alone. Fenmetozole did not alter ethanolinduced increases in punished drinking in a conflict test, except at a high dose which alone decreased both punished and unpunished responding. Fenmetozole also failed to precipitate ethanol withdrawal-like reactions when given to physically-dependent, intoxicated rats. Thus, the antagonistic action of fenmetozole against ethanol would not seem to be related to a specific receptor interaction but rather may be the result of a physiological antagonism.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00427641
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  • 5
    Electronic Resource
    Electronic Resource
    Factors governing the vulnerability of DRL operant performance to the effects of ethanol (1973)
    Springer
    Psychopharmacology 28 (1973), S. 351-362 
    Details
    ISSN: 1432-2072
    Keywords: Ethanol ; Operant Performance ; Dose-Response Analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract The effects of various doses of ethanol on DRL performance was examined in rats under conditions of cued and non-cued DRL tasks and under conditions of low versus high baseline performance criteria. The dose-level at which ethanol produced a significant reduction in number of responses and reinforcements interacted in a complex fashion with level of baseline performance, the cue conditions, and the order of DRL tasks. Generally, performance was impaired at a lower dose level for groups initially trained to a low criterion of DRL performance than for groups later trained to a higher criterion of DRL performance, regardless of cue condition. Further, the dose level at which ethanol impaired performance (as indicated by number of reinforcements obtained) under non-cued DRL conditions was lower than that for the cued DRL conditions, but only on the initial task where baseline DRL performance criterion was lower. Finally, the group with a higher baseline level of responding (i.e., poorer DRL performance) was more vulnerable to the disrupting effects of ethanol on this measure than groups with lower baseline response rates.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00422755
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    Paper (German National Licenses)
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  • 6
    Electronic Resource
    Electronic Resource
    Glucose Transporters and Glucose Utilization in Rat Brain after Acute Ethanol Administration (2000)
    Springer
    Metabolic brain disease 15 (2000), S. 211-222 
    Details
    ISSN: 1573-7365
    Keywords: Ethanol ; GLUT1 ; GLUT3 ; Glucose ; Cerebral Metabolism ; Immunohistochemistry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract In the normal adult brain, glucose provides 90% of the energy requirements as well as substrate for nucleic acid and lipid synthesis. In the present study, effects of ethanol on glucose transporters (GLUT) and glucose utilization were examined in rat brain. Male Sprague-Dawley rats weighing 250-300 gms were given either ethanol 3 gm/kg BW or saline IP 4 hrs prior to the animal sacrifice and removal of the cerebral cortical tissue. The cortical plasma membranes analyzed by cytochalasin B binding assay showed a decrease in GLUT number but not in GLUT affinity in the ethanol treated rats as compared to the control rats. The estimated Ro values were 70 ± 8.9 Vs 91 ± 8.9 pmoles/mg protein (p 〈 0.05 N=4) and the estimated Kd values were 0.37 ± 0.03 and 0.28 ± 0.05 μM (p: NS) in ethanol and control experiments respectively. Immunoblots of purified cerebral plasma membranes and low density microsomal fraction showed 17% and 71% decrease for GLUT1 and 54% and 21% (p〈0.05 or less; n=6) for GLUT3 respectively in ethanol treated rats than in control animals. Immunofluoresence studies also showed reduction of GLUT1 immunoreactively in choroid plexus and cortical microvessels of ethanol treated rats as compared to control rats. The effect of ethanol on regional cerebral metabolic rates for glucose (CMRGle) was studied using [6-14C] glucose and showed statistically insignificant decrease in brain glucose utilization. These data suggest that ethanol invivo decrease GLUT number and protein content in rat cerebral cortex
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1011115809810
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  • 7
    Electronic Resource
    Electronic Resource
    Parallel pseudospectral electronic structure: I. Hartree-Fock calculations (1998)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 19 (1998), S. 1017-1029 
    Details
    ISSN: 0192-8651
    Keywords: pseudospectral ; parallel ; Hartree-Fock ; gradient ; scalable ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: We present an outline of the parallel implementation of our pseudospectral electronic structure program, Jaguar, including the algorithm and timings for the Hartree-Fock and analytic gradient portions of the program. We also present the parallel algorithm and timings for our Lanczos eigenvector refinement code and demonstrate that its performance is superior to the ScaLAPACK diagonalization routines. The overall efficiency of our code increases as the size of the calculation is increased, demonstrating actual as well as theoretical scalability. For our largest test system, alanine pentapeptide [818 basis functions in the cc-pVTZ(-f) basis set], our Fock matrix assembly procedure has an efficiency of nearly 90% on a 16-processor SP2 partition. The SCF portion for this case (including eigenvector refinement) has an overall efficiency of 87% on a partition of 8 processors and 74% on a partition of 16 processors. Finally, our parallel gradient calculations have a parallel efficiency of 84% on 8 processors for porphine (430 basis functions).   © 1998 John Wiley & Sons, Inc.   J Comput Chem 19: 1017-1029, 1998
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
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    Paper (German National Licenses)
  • 8
    Electronic Resource
    Electronic Resource
    Parallel pseudospectral electronic structure: II. Localized Møller-Plesset calculations (1998)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 19 (1998), S. 1030-1038 
    Details
    ISSN: 0192-8651
    Keywords: pseudospectral ; parallel ; localized Møller-Plesset, scalable ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: We have developed a parallel version of our pseudospectral localized Møller-Plesset electronic structure code. We present timings for molecules up to 1010 basis functions and parallel speedup for molecules in the range of 260-658 basis functions. We demonstrate that the code is scalable; that is, a larger number of nodes can be efficiently utilized as the size of the molecule increases. By taking advantage of the available distributed memory and disk space of a scalable parallel computer, the parallel code can calculate LMP2 energies of molecules too large to be done on workstations.   © 1998 John Wiley & Sons, Inc.   J Comput Chem 19: 1030-1038, 1998
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Parallel implementation of a protein structure refinement algorithm (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 17 (1996), S. 1217-1228 
    Details
    ISSN: 0192-8651
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: An algorithm is presented for the refinement of reduced-model structures of proteins. A simulated annealing minimization is carried out in which the trial moves consist of the replacement of three-residue segments from a presorted library. The segments in the library are screened independently by their net end-to-end rotations so as to reproduce a distribution of conformations in the library similar to those in the ensemble. A general form of a look-up table contact potential is used to evaluate the free energy. This algorithm has been implemented on a parallel connection machine, on which a large number of molecules can be simultaneously simulated. The calculation of the pairwise distance matrix is distributed across the nodes of the machine to achieve an increase in performance and a reduction in the memory required on each node to store the potential table. The results of the refinement are shown for the test case of myoglobin, and the parallel performance is compared to that of a serial version of the algorithm. © 1996 by John Wiley & Sons, Inc.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jcc.3
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  • 10
    Electronic Resource
    Electronic Resource
    An automatic three-dimensional finite element mesh generation system for the Poisson-Boltzmann equation (1997)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 18 (1997), S. 1570-1590 
    Details
    ISSN: 0192-8651
    Keywords: dielectric continuum ; Poisson-Boltzmann equation ; finite element ; mesh generation ; grid generation ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: We present an automatic three-dimensional mesh generation system for the solution of the Poisson-Boltzmann equation using a finite element discretization. The different algorithms presented allow the construction of a tetrahedral mesh using a predetermined spatial distribution of vertices adapted to the geometry of the dielectric continuum solvent model. A constrained mesh generation strategy, based on Bowyer's algorithm, is used to construct the tetrahedral elements incrementally and embed the Richards surface of the molecule into the mesh as a set of triangular faces. A direct mesh construction algorithm is then used to refine the existing mesh in the neighborhood of the dielectric interface. This will allow an accurate calculation of the induced polarization charge to be carried out while maintaining a sparse grid structure in the rest of the computational space. The inclusion of an ionic boundary at some finite distance from the dielectric interface can be automatically achieved as the grid point distribution outside the solute molecule is constructed using a set of surfaces topologically equivalent to this boundary. The meshes obtained by applying the algorithm to real molecular geometries are described.   © 1997 John Wiley & Sons, Inc.   J Comput Chem 18: 1570-1590, 1997
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
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