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  • Articles  (181)
  • American Association for the Advancement of Science  (125)
  • Wiley-Blackwell  (56)
  • Chemistry and Pharmacology  (181)
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  • Articles  (181)
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  • 1
    Electronic Resource
    Electronic Resource
    Theoretical studies of diamagnetic properties of the hydrogen molecule ion II. Effect of varying internuclear separation (1972)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 6 (1972), S. 663-668 
    Details
    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 diamagnetic susceptibility χ and magnetic shielding σ for H2+ are investigated in the range of internuclear separations R = 1.6 a.u. to R = 2.4 a.u. according to a previously reported technique. From this data values of 〈χ〉 and 〈σ〉, for which nuclear motion due to zero-point vibration and centrifugal stretching is taken into account, are calculated at 300°K. These averages are 〈χ〉 = -0.3902 α2ao3 and 〈σ〉 = 1.096 × 10-5 c.g.s. units which are approximately 3.1% and 1.4% respectively, smaller than the equilibrium values.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560060410
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  • 2
    Electronic Resource
    Electronic Resource
    Synthesis of an N-Acetylated Heparin Pentasaccharide and its anticoagulant activity in comparison with the heparin pentasaccharide with high anti-factor-Xa activity (1989)
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 72 (1989), S. 1268-1277 
    Details
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The synthesis of tri-N-acetylated heparin pentasaccharide 2 is described. It was assembled from five suitably blocked monosaccharide units (3-7). Glucuronic-acid building block 4 was prepared from glucose by direct Jones oxidation of the 6-O-trityl derivative 18. The resulting acid 16 was esterified to 17 in large mounts using methyl chloroformate/base. Trimethylsilyl bromide proved to be an excellent reagent for the hydrolysis of a prop-1-enyl glycoside (19 →21). The pentasaccharide 29 was obtained by a [2 + 2] + 1 synthesis, the glycosylation reactions furnished good to very good yields. The identity of protected oligosaccharides was confirmed by 1H-NMR spectroscopy. Sequential deblocking of the pentasaccharide, O-sulfation, and N-acetylation gave 2 which was shown to exhibit ca. 600 times lower anticoagulant activity than pentasaccharide 1.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/hlca.19890720613
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  • 3
    Electronic Resource
    Electronic Resource
    Theoretical studies of diamagnetic properties of the hydrogen molecule ion. I. Approximate variation-perturbation calculation (1972)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 6 (1972), S. 651-661 
    Details
    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: A variation-perturbation method, analogous to a technique devised by Das and Bersohn for the study of the hydrogen molecule, is developed for calculation of the diamagnetic susceptibility χ and magnetic shielding σ and is applied to a study of the hydrogen molecule ion. Two approximations are investigated-in a first approximation, χ = -0.37814α2ao3 and σ = 1.112 × 10-5 c.g.s. units and in a second approximation, χ = -0.37569α2ao3 and σ = 1.128 × 10-5 c.g.s. units.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560060409
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  • 4
    Electronic Resource
    Electronic Resource
    Errata (1973)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 7 (1973), S. 635-636 
    Details
    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
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560070316
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  • 5
    Electronic Resource
    Electronic Resource
    Heterogeneous nucleation and growth of spherulites from a polycaprolactone (poly(1-oxy-6-oxohexamethylene)) melt (1974)
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 175 (1974), S. 2483-2488 
    Details
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Description / Table of Contents: Es wird über den Beginn einer Untersuchung zur Kristallisationskinetik von Polycaprolacton (Poly(1-oxy-6-oxohexamethylene) (1)) berichtet. Die primäre Keimbildung und das primäre Sphärolith-Wachstum aus der Polymerschmelze werden bei hinreichend hohen Temperaturen verfolgt, wodurch sichergestellt ist, daß das Wachstum der Kristallite durch Keimbildung bestimmt ist. Die kinetischen Daten werden weitgehend mit Hilfe des Avrami-Modells interpretiert, welches sich gut auf die Kristallisation von 1 anwenden ließ.
    Notes: A kinetic crystallization study of polycaprolactone (poly(1-oxy-6-oxohexamethylene) (1)) has been initiated to investigate the primary nucleation and primary spherulitic growth from a polymer melt at temperatures that are high enough to insure nucleation-limited crystallite growth. The analysis of the kinetic data is largely made on the basis of an Avrami model which proved to be well suited for the interpretation of the crystallization of 1.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/macp.1974.021750821
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  • 6
    Electronic Resource
    Electronic Resource
    Temperature dependence of relative modulus in filled polymer systems (1969)
    New York : Wiley-Blackwell
    Journal of Polymer Science Part A-2: Polymer Physics 7 (1969), S. 1705-1719 
    Details
    ISSN: 0449-2978
    Keywords: Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The temperature dependence of relative modulus observed in filled thermoset, thermoplastic, and polyelectrolyte salt matrices is explained on the basis of induced stresses produced by the differences in the thermal expansion coefficients of the constituent materials. The analysis is based on the assumption that the modulus of the matrix in a filled polymer is less than that of the unfilled polymer. The temperature dependence of relative modulus is expressed as a function of the difference in thermal expansion coefficients, the volume fraction, the relative modulus in the unstressed state, and mechanical properties of the phases. Agreement is good between the analysis and experimental results for three systems: epoxy and glass, polyethylene and wollastonite, and a polyelectrolyte salt with mica and asbestos.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pol.1969.160071007
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  • 7
    Electronic Resource
    Electronic Resource
    Adaptive, global, extended Kalman filters for training feedforward neural networks (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 391-407 
    Details
    ISSN: 0886-9383
    Keywords: Neural networks ; Non-linear multivariate regression ; Pattern classification ; Kalman filter ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Finding methods for the optimization of weights in feedforward neural networks has become an ongoing developmental process in connectionist research. The current focus on finding new methods for the optimization of weights is mostly the result of the slow and unreliable convergence properties of the gradient descent optimization used in the original back-propagation algorithm. More accurate and computationally expensive second-order gradient methods have displaced earlier first-order gradient optimization of the network connection weights. The global, extended Kalman filter is among the most accurate and computationally expensive of these second-order weight optimization methods. The iterative, second-order nature of the filter results in a large number of calculations for each sweep of the training set. This can increase the training time dramatically when training is conducted with data sets that contain large numbers of training patterns. In this paper an adaptive variant of the global, extended Kalman filter that exhibits substantially improved convergence properties is presented and discussed. The adaptive mechanism permits more rapid convergence of network training by identifying data that contain redundant information and avoiding calculations based on this redundant information.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080605
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  • 8
    Electronic Resource
    Electronic Resource
    Simultaneous assay of serum vitamin A and vitamin E by high performance liquid chromatography using time-switched UV and fluorimetric detectors (1986)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 9 (1986), S. 281-284 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography, HPLC ; Time-switched detectors ; UV detection ; Fluorimetric detection ; Vitamin A ; Vitamin E ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An HPLC method utilizing a UV and a fluorimetric detector linked in series is described. By use of a simple integrator-controlled time-switched relay, analysis of serum vitamin A and E is accomplished on the same chromatogram and at optimum sensitivity for each detector. A single internal standard (retinyl acetate) monitored only by the UV detector permits measurement of both vitamins over a wide linear range. Precision of the assays is satisfactory, both on a within-day and on a day-to-day basis. Recoveries of both vitamins are virtually 100% whilst sensitivity is 2 μg/L (retinol) and 0.05 mg/L (α-tocopherol).
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240090506
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  • 9
    Electronic Resource
    Electronic Resource
    Steroid analysis by gas chromatography with SCOT and wide-bore WCOT columns (1980)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 3 (1980), S. 241-247 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary, glass ; Quantitative analysis at 10-10g level ; Steroids in urine ; Amino acid fluorobutyrates (19 in 35 min) ; Installation of glass capillaries ; Connection to FM-ECD ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Glass capillary columns are ideal for analysis of urinary steroid profiles (i.e. the total steroid neutral fraction without prior separation into sub-groups).In this paper performance of both SCOT and wide-bore WCOT columns has been compared, resulting in no significant quantitative difference on urine extracts run as trimethylsilyl ether derivatives. However, because of increased efficiency the WB-WCOT column exhibited more sensitivity in measurement of small amounts of 11-ox-aetiocholanolone. Sensitivity of other steroids was greatly enhanced by use of either SCOT or WB-WCOT, leading to an almost tenfold increase over conventional packed columns (e.g. androsterone and aetiocholanolone 〈 40 μg per 24 h urine sample). A simple splitless injection system (based on a design of Dr. W. Greenaway, Oxford University) is presented.Experiments were also carried out using a SCOT column in conjunction with an FM-electron capture detector. Whilst efficiency was impaired due to the design of the detector, use of He (carrier) and N2 (make up gas) showed that several steroid derivatives could be easily measured at well below the 10-10 g level with much more rapid retention times than with a 1½m packed column. Highly successful separation of 19 amino acids (as fluoro-acyl derivatives) was achieved in 35 minutes using a SCOT (30 m) SP2100 column.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240030504
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  • 10
    Electronic Resource
    Electronic Resource
    Bacteriorhodopsin α-helices in lipid settings: Insights for structure prediction (1998)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 69 (1998), S. 105-116 
    Details
    ISSN: 0020-7608
    Keywords: bacteriorhodopsin ; protein: lipid interactions ; α-helices ; molecular dynamics ; membrane protein tertiary structure prediction ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The two-stage model of membrane protein folding predicts that isolated transmembrane α-helices form stably in the bilayer before coming together to form the fully functional protein. Insight into the molecular implications of this model are possible with detailed molecular dynamics calculations. Thirty molecular dynamics simulations of both individual and pairs of α-helices from bacteriorhodopsin were calculated with the CHARMm program. This data base will continue to grow and expand. Already, differences between identical helices in different media and different helices in the same media have been found. The current results are summarized in this contribution.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 69: 105-116, 1998
    Additional Material: 9 Ill.
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