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  • 1
    ISSN: 1573-4951
    Keywords: Molecular diversity ; Structural databases ; Jarvis-Patrick ; Clustering ; Octanol-water partition coefficient ; Molar refractivity ; Dipole moment
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The contribution that the Chemical Abstracts structural database (CAST-3D) and the Maybridge database (MAY) would make to diversifying the structural information and property space spanned by our corporate database (CBI) is assessed. A subset of the CAST-3D database has been selected to augment the structural diversity of various electronic databases used in computer-assisted drug design projects. The analysis of the MAY database directly offers the potential to expand the CBI compound library, but also provides a source for structural diversity in a format suitable for computer-assisted database searching and molecular design. The analysis performed is twofold. First, a nonhierarchical clustering technique available in the Daylight clustering package is applied to evaluate the structural differences between databases. The comparison is then extended to analyze various structure-derived property spaces calculated from molecular descriptors such as the logarithm of the octanol-water partition coefficient (CLOGP), the molar refractivity (CMR) and the electronic dipole moment (CDM). The diversity contribution of each database to these property spaces is quantified in relation to our corporate database.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of organic chemistry 29 (1964), S. 1895-1898 
    ISSN: 1520-6904
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 1471-4159
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Medicine
    Notes: Abstract: Measures of protein kinase C (PKC) in C57BL/6 and DBA/2 mice using [3H]phorbol 12,13-dibutyrate binding to tissue homogenates and brain slices demonstrated that levels of activated, membrane-bound PKC were greater in C57BL hippocampus than in DBA hippocampus. Western analysis of α-, βI-, βII-, γ-, δ-, and ɛ-PKC using isozyme-specific antibodies indicated that the increase observed in C57BL hippocampus was due primarily to the γ-PKC protein, whose immunoreactivity was greater in the membrane-bound fraction in C57BL mice. Characterization of α-, βI,II-, and γ-PKC hippocampal mRNA using northern analysis and isozyme-specific nucleic acid probes did not reveal differences between the strains in levels of gene expression. Restriction fragment length polymorphisms (RFLP) were found in the α- and γ-, but not β-PKC genomic DNA. The RFLPs appeared to be located in noncoding, nonregulatory regions of the gene. These findings suggest that the γ-PKC isozyme is largely responsible for the PKC activity difference in C57BL and DBA hippocampus that has been reported previously and may be closely associated with differences in learning ability observed in these strains.
    Type of Medium: Electronic Resource
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  • 4
    ISSN: 1471-4159
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Medicine
    Notes: Abstract: Nicotinic acetylcholine receptors play a major role in excitatory neurotransmission in insect CNSs and constitute an important target for insecticides. Here, we report the isolation and functional characterisation of two cDNAs encoding nicotinic acetylcholine receptor α subunits from a major insect pest, the peach-potato aphid Myzus persicae. These two subunits, termed Mpα1 and Mpα2, are respective structural homologues of the Drosophila Dα2/Schistocerca gregariaαL1 α-subunit pair and the Drosophila ALS α subunit. Xenopus oocyte expression confirmed that each Myzus subunit can form functional acetylcholine- or nicotine-gated channels. However, some electrophysiological and pharmacological properties of the Myzus subunits were distinct from those encoded by the corresponding Drosophila subunits. Coexpression of the Myzus subunits with the chick β2 subunit revealed other differences from the Drosophila system, as only very limited potentiation of agonist-induced currents was observed with Mpα2 and none with Mpα1. Available data therefore indicate that structurally homologous insect nicotinic acetylcholine receptor α subunits from different species can exhibit distinctive physiological and pharmacological characteristics.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Oxford, UK : Blackwell Publishing Ltd
    Clinical psychology 3 (1996), S. 0 
    ISSN: 1468-2850
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Psychology
    Notes: Social bias is an issue of concern to both practitioners and clinical researchers. This article considers race and ethnic prejudice as a prominent clinical feature in three psychotherapy cases. Diagnostic and Statistical Manual of Mental Disorders (4th ed.) diagnoses, General Adaptive Functioning ratings, and Minnesota Muttiphasic Personality Inventory scores are considered in terms of the level of patient disturbance and severity of out-group prejudice. Two cases exemplify chronic adverse outgroup ideation, reflecting a constellation of traits of personality disturbance, disinhibttion, and adverse behavioral response (e.g., panic, hostility, and/or aggression) to intergroup contact, while one case evidences prejudicial ideation as a transitory, conditioned response to traumatic victimization by a member of a racial outgroup. Prejudice is considered as a clinical syndrome, with treatment strategy considered in terms of the severity and chronicity of prejudicial ideation.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 99 (1995), S. 1754-1759 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 99 (1995), S. 12115-12124 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 3742-3746 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A derivation is presented for X(t), the transformed fraction as a function of time, in a phase transformation process which produces randomly oriented anisotropic particles. The key novel element in the development and results is the inclusion of blocking (shielding) effects. The derivation is performed for a 2D system in which symmetrical particles of arbitrary shape are formed. In addition, approximate calculations are performed for X(t) for the case of elliptical particles in order to estimate the influence of growth rate anisotropy upon the magnitude of the blocking effects. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 104 (1996), S. 4502-4516 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Various aspects of the theory and modeling of ion–molecule radiative association are discussed. A general formalism for evaluating the effective rate constant for radiative and collisional association is reviewed. The implementation of variable reaction coordinate transition state theory estimates within this formalism is described. A detailed discussion is given of the limiting cases of high and low stabilization efficiency. The basic validity of the algorithm is illustrated through sample calculations for the high efficiency limit. The low efficiency limit allows for the determination of binding energies which are independent of any transition state model. The relation between the predicted and observed temperature dependence in the low efficiency limit is explored. Sample calculations employing the general formalism illustrate the usefulness of this modeling in estimating the binding energy of the complex. Modest levels of quantum chemistry (e.g., MP2/6-31G*) are found to provide satisfactory estimates of the vibrational frequencies and intensities required in the modeling. Overall, the modeling provides estimated binding energies for the protonated acetone dimer, NO+...3-pentanone, and Al+...C6H6 complexes which agree with the available literature values to within 2 kcal/mol. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 1463-1463 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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