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  • 1
    Digitale Medien
    Digitale Medien
    Zn2+ complexes with N-(2-pyridyl)cinnamides: Characterization and UV studies (1993)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 6 (1993), S. 15-22 
    Details
    ISSN: 0894-3230
    Schlagwort(e): Organic Chemistry ; Physical Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Physik
    Notizen: Zinc(II) complexes of N-pyridylcinnamides (H, m-OCH3, p-OCH3 and p-OH derivatives) were studied by spectrophotometric methods in aprotic media, and represent a chemical model inhibition by cinnamides of coniferyl alcohol dehydrogenase (CAD), a zinc enzyme involved in the lignification process. The complexation of N-pyridylcinnamide and m-methoxy-N-pyridylcinnamide with zinc ion is effected according to a 1 : 1 stoichiometry (ML), whereas a two-step equilibrium (M + L ⇌ ML \documentclass{article}\pagestyle{empty}\begin{document}$ V_{\rm m} = 4 \cdot 45C_0 + 6 \cdot 44C_1 - 3 \cdot 33C_2 + 0 \cdot 46C_4 + 52 \cdot 9{\rm (}n = 300,r = 0 \cdot 999,s = 0 \cdot 81) $\end{document} ML2) is preferred with p-methoxy and p-hydroxy compounds. These ligands are mainly bonded through the carbonyl oxygen atom and the nitrogen of the pyridyl ring. Molar absorptivities for these complexes, not directly available, were calculated from analysis of the experiemental data. The UV complexation results are also supported by the stoichiometry of the complexes, which were synthesized and characterized.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/poc.610060104
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  • 2
    Digitale Medien
    Digitale Medien
    A mixed-integer nonlinear programming algorithm for process systems synthesis (1986)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 32 (1986), S. 592-606 
    Details
    ISSN: 0001-1541
    Schlagwort(e): Chemistry ; Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: The problem of synthesizing processing systems via simultaneous structural and parameter optimization is addressed in this paper. Based on a superstructure representation for embedding alternative configurations, a general mixed-integer nonlinear programming (MINLP) framework is presented for the synthesis problem. An efficient outer-approximation algorithm is described for the solution of the underlying optimization problem, which is characterized by linear binary variables and continuous variables that appear in nonlinear functions. The proposed algorithm is based on a bounding sequence that requires the analysis of few system configurations, and the solution of a master problem that identifies new candidate structures. Application of the proposed algorithm is illustrated with the optimal synthesis of gas pipelines.
    Zusätzliches Material: 11 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/aic.690320408
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  • 3
    Digitale Medien
    Digitale Medien
    Simultaneous optimization and heat integration of chemical processes (1986)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 32 (1986), S. 123-138 
    Details
    ISSN: 0001-1541
    Schlagwort(e): Chemistry ; Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: A procedure is proposed for simultaneously handling the problem of optimal heat integration while performing the optimization of process flow sheets. The method is based on including a set of constraints into the nonlinear process optimization problem so as to insure that the minimum utility target for heat recovery networks is featured. These heat integration constraints, which do not require temperature intervals for their definition, are based on a proposed representation for locating pinch points that can vary according to every set of process stream conditions (flow rates and temperatures) selected in the optimization path. The underlying mathematical formulations correspond to nondifferentiable optimization problems, and an efficient smooth approximation method is proposed for their solution. An example problem on a chemical process is presented to illustrate the economic savings that can be obtained with the proposed simultaneous approach. The method reduces to simple models for the case of fixed flow rates and temperatures.
    Zusätzliches Material: 13 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/aic.690320114
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  • 4
    Digitale Medien
    Digitale Medien
    Adsorption of p-nitrophenol from aqueous solution on activated carbon: Influence of pH and preozonization (1992)
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 15 (1992), S. 124-130 
    Details
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: The adsorption of p-nitrophenol (PNP) from an NaOH, H3PO4-buffered, aqueous solution on activated carbon was studied at pH 2, 7, and 8.5. Comparative studies were then carried out on ozonized carbon and ozonized PNP solution. In the latter case, PNP adsorption was performed from an ozonized solution, and also after exposing the activated carbon to the ozonized PNP solution for 24 h. At acid pH, PNP adsorption was found to be markedly higher than at neutral and weakly basic pH's. Ozonization of carbon affects the results only at pH 7 and 8.5. Ozonization of PNP led to a small decrease in adsorption, irrespective of the method of contect between carbon and ozonization reaction products. The rate was faster at acid than at basic pH, and the ozonization speeded up the adsorption slightly but only at pH 8.5. Application of a mathematical model indicated that mass transfer in bulk solution controls the rate of adsorption.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/ceat.270150209
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  • 5
    Digitale Medien
    Digitale Medien
    Fast-atom bombardment tandem mass spectrometry of phosphohydroxylysine and related phosphohydroxy amino acids (1989)
    New York, NY : Wiley-Blackwell
    Rapid Communications in Mass Spectrometry 3 (1989), S. 76-78 
    Details
    ISSN: 0951-4198
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Physik
    Notizen: Phosphohydroxylysine a compound found in the urine of two patients with a possible inborn error of hydroxylysine metabolism, and related phosphohydroxycompounds were investigated with fast-atom bombardment tandem mass spectrometry techniques. This resulted in a reliable and quick identification method for phospho amino acids in general.
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/rcm.1290030307
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  • 6
    Digitale Medien
    Digitale Medien
    Fast atom bombardment/collisional activation mass spectrometry of β-D-mannosyl-(1→4)-β-D-N-acetylglucosaminyl (1→N) urea and related compounds (1988)
    New York, NY : Wiley-Blackwell
    Rapid Communications in Mass Spectrometry 2 (1988), S. 95-97 
    Details
    ISSN: 0951-4198
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Physik
    Notizen: A new compound, obtained during the isolation of oligosaccharides from the urine of two brothers affected with inherited β-mannosidase deficiency, has been investigated using fast atom bombardment ionization and MS/MS techniques. The compound could be characterized as an N-acetylglucosamine molecule linked to a hexose and a urea molecule.
    Zusätzliches Material: 1 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/rcm.1290020508
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  • 7
    Digitale Medien
    Digitale Medien
    Vibrational Stark effect and vibrational static electric properties of N2O (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 52 (1994), S. 9-15 
    Details
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The vibrational Stark effect together with nuclear relaxation and vibrational contributions to the static molecular electric properties of the N2O molecule are computed using ab initio molecular orbital thoery. Contributions to the molecular properties are computed by finite-difference techniques involving the energy vs. the uniform electric-field strength. © 1994 John Wiley & Sons, Inc.
    Zusätzliches Material: 3 Tab.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/qua.560520103
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  • 8
    Digitale Medien
    Digitale Medien
    Intrinsic reaction coordinate of perturbed potential energy surfaces: Construction of perturbed energy profiles (1993)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 47 (1993), S. 307-317 
    Details
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: This contribution analyzes the changes in the intrinsic reaction coordinate (IRC) and in the potential energy profiles (PEP) caused by application of a uniform electric field evaluated using standard ab initio MO methods. Two typical organic processes have been studied, namely, the Friedel-Crafts and the Walden inversion reactions, which are modeled by suitable simple systems. The results for the Walden inversion reaction show that the IRC for the field-free and that for perturbed processes are almost coincident; in this case, using the field-free IRC to compute the perturbed energy profile is a very good approximation. On the contrary, for the Friedel-Crafts model reaction, the two IRCs differ slightly, so the energy profiles using the perturbed and the unperturbed IRCs are somewhat different. © 1993 John Wiley & Sons, Inc.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/qua.560470404
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  • 9
    Digitale Medien
    Digitale Medien
    Valence-bond calculations on ZNO and HGO using integrals computed through the semiempirical AM1 method (1992)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 44 (1992), S. 887-895 
    Details
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Valence-bond calculations have been carried out on ZnO and HgO using a basis set of Slatertype atomic orbitals and the one- and two-electron integrals as computed in the semiempirical AM1 molecular orbital method. The zero differential overlap approximation has been used to calculate integrals between atomic orbital Slater determinants using the rules for matrix elements between determinants formed by orthogonal orbitals. Diabatic and adiabatic curves have been analyzed for the two systems, and results compared with molecular orbital AM1 results. © 1992 John Wiley & Sons, Inc.
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/qua.560440516
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  • 10
    Digitale Medien
    Digitale Medien
    The identification of (E)-2-methylglutaconic acid, a new isoleucine metabolite, in the urine of patients with β-ketothiolase deficiency, propionic acidaemia and methylmalonic acidaemia (1982)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 9 (1982), S. 1-5 
    Details
    ISSN: 0306-042X
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The identification of (E)-2-methylglutaconic acid, a ‘new’ metabolite of isoleucine, is described. The substance was detected in urine samples from patients with propionic acidaemia, methylmalonic acidaemia and so-called β-ketothiolase deficiency; in the majority of cases together with N-tiglylglycine. (E)-2-Methylglutaconic acid is thought to be the end product of the 3-methylcrotonyl-CoA carboxylase-catalysed carboxylation of tiglyl-CoA. Prerequisites for the quantitative gas chromatographic analysis of the unstable 2- (and 3-) methylglutaconic acid ditrimethylsilyl ester are given.
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/bms.1200090102
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