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  • 1
    Electronic Resource
    Electronic Resource
    The pressure dependence of permeation constants (1966)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 12 (1966), S. 1030-1030 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690120541
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  • 2
    Electronic Resource
    Electronic Resource
    Improved taxol yield by aromatic carboxylic acid and amino acid feeding to cell cultures of taxus cuspidata (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 44 (1994), S. 967-971 
    Details
    ISSN: 0006-3592
    Keywords: taxol production ; Taxus cuspidata ; cell culture ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Cell culture of Taxus cuspidata represents an alternative to whole plant extraction as a source of taxol and related taxanes. Feeding phenylalanine to callus cultures was previously shown to result in increased taxol yields, probably due to the involvement of this amino acid as a precursor for the N-benzoylphenylisoserine side chain of taxol. Inthis study, we have examined the effect of various concentrations of phenylalanine, benzoic acid, N-benzoylglycine, serine, glycine, alanine, and 3-amino-3-phenyl-propionic acid on taxol accumulation in 2-year-old cell suspensions of Taxus cuspidata, cell line FCL1F, and in developing callus cultures of T. cuspidata. All compounds tested were included in media at stationary phase (suspensions) or after the period of fastest growth (calli). Alanine and 3-amino-3-phenyl-propionicacid were tested only in callus cultures and did not affect taxol accumulation. Significant increases or trends toward increases in taxol accumulationin callus and suspensions were observed in the presence of phenylalanine, benzoic acid, N-benzoylglycine, serine, and glycine. The greatest increases in taxol accumulation were observed in the presence of various concentrations of phenylalanine (1 mM for callus; 0.05, 0.1, and 0.2 mM for suspensions) and benzoic acid (0.2 and 1 mM for callus and 0.05, 0.1, and 0.2 mM for suspensions). Increases in taxol yields of cell suspensions in the presence of the most effective precursors brought taxol amounts at stationary phase from 2 μg · g-1 to approximately 10 μg . g-1 of the extracted dry weight. The results are discussed in termsof possible implications to taxol biosynthesis and in terms of practical applications to large-scale cell culture systems for the production ofthis drug. © 1994 John Wiley & Sons, Inc.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260440813
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  • 3
    Electronic Resource
    Electronic Resource
    Kinetics of taxol production, growth, and nutrient uptake in cell suspensions of Taxus cuspidata (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 44 (1994), S. 205-210 
    Details
    ISSN: 0006-3592
    Keywords: taxol production ; Taxus cuspidata ; cell culture ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Cell culture of Taxus cuspidata may represent an alternative to extraction of bark as a source of taxol and related taxanes. Cell suspensions of a cell line of T. cuspidata were grown for 44 days in shake flasks containing B5C2 medium. Throughout the growth cycle, fresh and dry weight accumulation, taxol yield on a dry weight basis, taxol accumulation in the medium, pH and pigmentation variation in the medium, as well as the uptake of sucrose, glucose, fructose, nitrate, and inorganic phosphate from the culture medium were examined. The results showed that the growth was relatively slow (doubling times of 17 and 20 days for fresh and dry weight, respectively), and taxol accumulation in the cells was non-growth related (higher in the stationary phase) and at relatively low levels (up to 4 μg/g of the extracted dry weight). Taxol concentration in the medium had two peaks: one during the early (0.4μg/mL) and another during the late (0.1-μg/mL) parts of the growth cycle. On a volumetric basis, the average total amount of taxol produced during the stationary phase (day 38) was 0.15 μg/mL, of which approximately 66% was in the medium and 34% was in the cells. Total carbohydrate uptake was closely associated with the increase in dry biomass. Sucrose was apparently extracellularly hydrolyzed after the first 6 days of culture; glucose was used before fructose. Nitrate was assimilated throughout the growth cycle, but phosphate was absorbed within the first week of culture. The pH variation showed an initial drop followed by a trend toward alkalinization for most of the growth period. Dark pigmentation in the medium increased progressively, particularly during the stationary phase. © 1994 John Wiley & Sons, Inc.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260440209
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  • 4
    Electronic Resource
    Electronic Resource
    Enhancement of enzymatic hydrolysis of sugar cane bagasse by steam explosion pretreatment (1987)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 29 (1987), S. 1035-1039 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260290815
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  • 5
    Electronic Resource
    Electronic Resource
    Adsorption chromatography of phenylalanine (1989)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 33 (1989), S. 1324-1329 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260331015
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  • 6
    Electronic Resource
    Electronic Resource
    Theoretical studies on local anesthetics: Procaine, lidocaine, tetracaine, bupivacaine, and dibucaine - neutral and monoprotonated (1997)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 61 (1997), S. 959-980 
    Details
    ISSN: 0020-7608
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The molecular basis of the pharmacological action of tertiary amine local anesthetics (LA) is still unclear. However, there is experimental evidence that the LA penetrates into the axon as a neutral form and acts in the charged form from the intracellular phase. In this work we report quantum chemical semiempirical results for the neutral and monoprotonated forms of procaine, lidocaine, tetracaine, bupivacaine, and dibucaine. All geometries have been fully optimized with the AM1 Hamiltonian. Solvent effects were included at the self-consistent reaction field (SCRF) approximation. We have found that the most stable conformers of positively charged LA agents are all characterized by intramolecular H-bond formation involving the protonated amine groups. INDO/S-CIS calculations have revealed that the gas-phase absorption spectra of LAs result from the superposition of the spectra of the ring π system and the carbonyl, in a large extent perturbed by intramolecular charge transfer (CT). For all studied LAs, the benzene B2u bands are very weak and the benzene B1u bands gain intensity due to symmetry breaking. Formation of intramolecular H bond strongly affects the carbonyl CT bands. On the other hand, the spectrum of dibucaine is dominated by the quinoline π system. © 1997 John Wiley & Sons, Inc.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    A semiempirical study of pyrazole acylhydrazones as potential antimalarial agents (1996)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 60 (1996), S. 1835-1843 
    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: In this work, we evaluated structural and electronic similarities between a new class of acylhydrazones, recently presented as effective inhibitors of a Plasmodium falciparum cysteine protease, and a series of pyrazole arylacylhydrazones with analgesic and antiaggregating (antithrombotic) properties, using AM1. The calculated results suggest that at least one of the pyrazole compounds is similar enough to the active compounds to be considered as a candidate for a future antimalarial series. © 1996 John Wiley & Sons, Inc.
    Additional Material: 6 Ill.
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  • 8
    Electronic Resource
    Electronic Resource
    Phytochrome structure: A new methodological approach (1998)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 70 (1998), S. 1145-1157 
    Details
    ISSN: 0020-7608
    Keywords: phytochrome ; absorption spectra ; semiempirical ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Higher plants use the protein phytochrome as a photosensor. In physiological temperatures phytochrome exists in two forms: Pr and Pfr. The chromophore of phytochrome is an open-chain tetrapyrrole. On the pathway from Pr to Pfr four intermediates (Lumi-R, Meta-Ra, Meta-Rb, and Meta-Rc) can be distinguished, while only two (Lumi-F and Meta-F) can be seen on the way back from Pfr to Pr. We have used the x-ray structure of the C-Phycocyanin protein Fremyella diplosiphon bacteria as a template to build a model (∼200 atoms) that includes only the chromophore and five amino acids of the phytochrome (Arg316-Cys321-His322-Leu323-Gln324) around it. Using the existing experimental evidences, we have proposed a three-dimensional (3D) structure for Pr, Pfr, and intermediates and a mechanism for the photoisomerization as well. Structures were fully optimized using AM1 (Unichem package on a Cray J90-NACAD). Using the INDO/S method of Zerner and co-workers, we calculated the absorption spectra of the model compounds and compared them with the experimental data. The oscillator strength ratio is an indicator of the chomophore conformation in biliproteins. The calculated spectra reproduces well the spectra of the phytochrome (Pr, Pfr, and intermediates) except for the lower energy band. This result is attributed to the small number of amino acids in the models. The calculated ratios (fVIS/fUV-fosc of visible band over fosc of UV band and f2/f1-fosc of second absorption band over fosc of first absorption band) for the models match very well the experimental ratios obtained for the phytochrome (Pr, Pfr, and intermediates). This supports the proposed mechanism for the photoisomerization process.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 70: 1145-1157, 1998
    Additional Material: 11 Ill.
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  • 9
    Electronic Resource
    Electronic Resource
    On the spectral properties of tryptamine derivatives (1993)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 48 (1993), S. 107-116 
    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: We report quantum chemical semiempirical calculations of the electronic structure of serotonin (5-hydroxytryptamine, 5-HT) and 5,7-dihydroxytryptamine (5,7-DHT). Those substances are important in the context of Alzheimer's disease. Moreover, the tautomerism of 5,7-DHT, which is not present in serotonin, is also examined. We have found that the phenol form of 5,7-DHT is more stable than is the 4-keto form in the gas phase. However, the large dipole moment of the keto form suggests that a large stabilization of this form can occur in a polar environment, which is confirmed by further supermolecule calculations. We have also calculated the absorption spectra of both 5,7-DHT and serotonin (5-HT) using the INDO/S method at the calculated AM1 geometries, with good agreement with experimental data. Our results give strong support to the hypothesis of the phenol-keto tautomerism of 5,7-DHT being responsible for the UV-visible spectroscopic features. © 1993 John Wiley & Sons, Inc.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560480713
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  • 10
    Electronic Resource
    Electronic Resource
    Theoretical studies on nonsteroidal anti inflammatory drugs. Benoxaprofen, chlorpromazine, and piroxicam (1995)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 56 (1995), S. 123-136 
    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: We report quantum chemical semi-empirical calculations of the geometries and the electronic structures (at AM1 and INDO/s levels) of three nonsteroidal antiinflammatory drugs (NSAIDs), namely, benoxaprofen, chlorpromazine and piroxicam, and a piroxicam metabolite, that have undesirable phototoxic effects. Our calculated electronic spectra in gas phase and in water fit reasonably well the observed spectral data. The wavelength of the absorption maxima are not significantly affected by changing from gas phase to water (at the SCRF level). We were able to assign the observed bands to the calculated transitions. We found also that the spectrum of the piroxicam metabolite actually responsible for the phototoxicity cannot be understood on the sole basis of one of the tautomers. We hope that these finding will be useful for the understanding of the photochemical events that lead ultimately to the biological effects. © 1995 John Wiley & Sons, Inc.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560560713
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