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  • Articles: DFG German National Licenses  (17)
  • E-Books: DFG German National Licenses
  • Biochemistry and Biotechnology  (13)
  • Organic Chemistry  (4)
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  • Articles: DFG German National Licenses  (17)
  • E-Books: DFG German National Licenses
Material
Years
Keywords
  • 1
    Electronic Resource
    Electronic Resource
    Towards meeting the paracelsus challenge: The design, synthesis, and characterization of paracelsin-43, an α-helical protein with over 50% sequence identity to an all-β protein (1996)
    New York, NY : Wiley-Blackwell
    Proteins: Structure, Function, and Genetics 24 (1996), S. 502-513 
    Details
    ISSN: 0887-3585
    Keywords: de novo design ; protein structure ; inverse folding ; genetic algorithms ; 1H NMR ; CD ; peptide ; protein folding ; methanol ; ethylene glycol ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Medicine
    Notes: In response to the Paracelsus Challenge (Rose and Creamer, Proteins, 19:1-3, 1994), we present here the design, synthesis, and characterization of a helical protein, whose sequence is 50% identical to that of an all-β protein. The new sequence was derived by applying an inverse protein folding approach, in which the sequence was optimized to “fit” the new helical structure, but constrained to retain 50% of the original amino acid residues. The program utilizes a genetic algorithm to optimize the sequence, together with empirical potentials of mean force to evaluate the sequence-structure compatibility. Although the designed sequence has little ordered (secondary) structure in water, circular dichroism and nuclear magnetic resonance data show clear evidence for significant helical content in water/ethylene glycol and in water/methanol mixtures at low temperatures, as well as melting behavior indicative of cooperative folding. We believe that this represents a significant step toward meeting the Paracelsus Challenge.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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    Paper (German National Licenses)
  • 2
    Electronic Resource
    Electronic Resource
    An analysis of side chain interactions and pair correlations within antiparallel β-sheets: The differences between backbone hydrogen-bonded and non-hydrogen-bonded residue pairs (1995)
    New York, NY : Wiley-Blackwell
    Proteins: Structure, Function, and Genetics 22 (1995), S. 119-131 
    Details
    ISSN: 0887-3585
    Keywords: antiparallel β-sheet ; twist ; protein folding ; side chain interactions ; branched amino acids ; cystine-rich proteins ; side chain packing ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Medicine
    Notes: Cross-strand pair correlations are calculated for residue pairs in antiparallel β-sheet for two cases: pairs whose backbone atoms are hydrogen bonded together (H-bonded site) and pairs which are not (non-H-bonded site). The statistics show that this distinction is important. When glycine is located on the edge of a sheet, it shows a 3:1 preference for the H-bonded site. Thestrongest observed correlations are for pairs of disulfide-bonded cystines, many of which adopt a close-packed conformation with each cystine in a spiral conformation of opposite chirality to its partner. It is likely that these pairs are a signature for the family of small, cystine-rich proteins. Most other strong positive and negative correlations involve charged and polar residues. It appears that electrostatic compatibility is the strongest factor affecting pair correlation. Significant correlations are observed for β- and γ-branched residues inthe non-H-bonded site. An examination of the structures showsa directionality in side chain packing. There is a correlation between (1) the directionality in the packing interactions of non-H-bonded β- and γ-branched residue pairs, (2) the handedness of the observed enantiomers of chiral β-branched side chains, and (3) the handedness of the twist of β-sheet. These findings have implications for the formation of β-sheets during protein folding and the mechanism by which the sheet becomes twisted. © 1995 Wiley-Liss, Inc.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prot.340220205
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Short Communications. Biphenyl-3,4′-Dinitrene (1991)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 4 (1991), S. 459-462 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Photolysis of biphenyl-3,4′ -diazide in a rigid glassy matrix at 77 K yields quintet state biphenyl-3,4′ -dinitrene with zero-field splitting parameters of |D/hc- = 0.153 cm-1 and |E/hc| = 0.019 cm-1 determined by electron spin resonance spectroscopic studies. Curie plot studies are consistent with assigning the quintet to be the ground state in this species. This finding confirms qualitative connectivity-based predictions for this general connectivity type of openshell system, and is in qualitative agreement with spectral INDO-CI computational predictions for both planar and twisted geometries of the dinitrene.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610040708
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  • 4
    Electronic Resource
    Electronic Resource
    Zero-field splitting versus interelectronic distance in triplet electron spin resonance spectra of localized dinitrenes (1993)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 6 (1993), S. 483-487 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Triplet zero-field splitting parameters were obtained in 2-methyltetrahydrofuran glass at 77 K for phenylene-1,4-dinitrene (1), biphenyl-4,4′-dinitrene (2), (E)-1,2-bis(4′-nitrenophenyl)ethene (3), 1,4-bis(4′-nitrenophenyl)buta-1,3-diene (4) and 1,8-bis(4′-nitrenophenyl)octa-1,3,5,7-tetraene (5). The results were (1) |D/hc| = 0·169 cm-1 |E/hc| = 0·004 cm-1, (2) |D/hc| = 0·189 cm-1, |E/hc| = 0·00 cm-1, (3) |D/hc| = 0·122 cm-1, |E/hc| = 0·00 cm-1, (4) |D/hc| = 0·0865 cm-1, |E/hc| = 0·00 cm-1 and (5) |D/hc| = 0·0442 cm-1, |E/hc| = 0·00 cm-1. All these biradicals are ground-state singlets. Based on the observed decrease in triplet signal intensities as temperature decreases. The substantial magnitudes of |D/hc| for 3-5, despite the large distance between localized nitrene electrons, is much more than can be explained by a simple dipolar interaction between localized electrons, and is attributed at least partly to spin polarization effects on the π-electron clouds of these systems.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610060807
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    Paper (German National Licenses)
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  • 5
    Electronic Resource
    Electronic Resource
    Intramolecular exchange coupling of arylnitrenes by OXYGEN (1994)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 7 (1994), S. 495-502 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: A series of m,n′-diazidodiphenyl ethers (m ≤ n, m = 3,4; n = 3,4) was photolyzed at 77 K in frozen, glassy 2-methyltetrahydrofuran matrices to generate the corresponding diphenyl ether m,n′-dinitrenes for study by electron spin resonance (ESR) spectroscopy. 3,4′-Diazidodiphenyl ether gave an ESR spectrum dominated by a mononitrene peak with ∣D/hc∣ = 0·972 cm-1, and also showed a weak dinitrene quintet spectrum with ∣D/hc∣ = 0·162 cm-1 having ESR spectral intensity vs temperature dependence (Curie law) consistent with either a high-spin ground state or a very small singlet-quintet gap. Di(3-azidophenyl) ether gave a strong mononitrene peak with ∣D/hc∣ = 0·996 cm-1 and a quintet dinitrene ESR spectrum (∣D/hc∣ = 0·162 cm-1) which exhibited non-linear Curie law intensity behavior consistent with the quintet being a thermally populated excited state 40 cal mol-1 above a singlet ground state. Di(4-azidophenyl) ether gave a strong mononitrene peak with ∣D/hc∣ = 0·961 cm-1, but no observable spectrum related to a high-spin open-shell dinitrene. The results are consistent with oxygen being a weak exchange coupling linker in pi-conjugated open-shell molecules. The observed ground-state spin multiplicities are in accord with qualitative superexchange and connectivity models, despite any perturbations due to resonance effects between the oxygen linker and p-nitrene sites.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610070905
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    Paper (German National Licenses)
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  • 6
    Electronic Resource
    Electronic Resource
    Enthalpies of micelle formation by hexadecyltrimethylammonium bromide in aqueous solution containing pentanol (1995)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 8 (1995), S. 108-112 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Titration calorimetric data show a dramatic change from endo- to exothermic deaggregation when pentanol-hexadecyltrimethylammonium bromide (CTAB) mixed solutions are injected into an aqueous solution containing pentanol. The results are interpreted in terms of a change in the structures of the aggregates in solution from simple CTAB micelles to mixed amphiphilic microheterogeneities when pentanol is added.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610080210
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  • 7
    Electronic Resource
    Electronic Resource
    Simulated dipeptide recognition by vancomycin (1997)
    Chicester [u.a.] : Wiley-Blackwell
    Journal of Molecular Recognition 10 (1997), S. 73-87 
    Details
    ISSN: 0952-3499
    Keywords: glycopeptide antibiotics ; free energy perturbation ; molecular dynamics simulation ; molecular recognition ; computer-assisted drug design ; 2D NMR ; simulated annealing ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Medicine
    Notes: The antimicrobial activity of vancomycin and related glycopeptide antibiotics is due to stereospecific recognition of polypeptide components in bacterial cell walls. To better understand how these antibiotics recognize polypeptide determinants, we have developed dynamic models of the complexes formed by the vancomycin aglycon and two different dipeptide ligands, Ac-D-ala-D-ala and Ac-D-ala-gly. Molecular dynamics simulations of the two complexes, initially conditioned with distance constraints derived from two-dimensional nuclear magnetic resonance (NMR) studies, are conformationally stable and propagate in a manner consistent with the NMR-derived constraints after the constraints are removed. Free energy calculations accurately predict the relative binding affinity of these two complexes and help validate the simulation models for detailed structural analysis. Although the two ligands adopt similar conformations when bound to the antibiotic, there are clear differences in the configuration of intermolecular hydrogen bonds, the overall shape of the antibiotic, and other structural features of the two complexes. This analysis illustrates how complex structural and dynamic factors interrelate and contribute to differences in binding affinity. © 1997 John Wiley & Sons, Ltd.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Using multiresponse data to estimate biokinetic parameters (1975)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 17 (1975), S. 571-583 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Biokinetic parameters are usually calculated from slopes and intercepts taken from plots of experimental data. One response at an item is plotted and used for parameter estimation. Aside from problems that may be caused by transformations made when the data are plotted, this approach has the weakness of not using all the data simultaneously when there is more than one response. This paper shows how multiresponse biological data can be handled to get parameter estimates that are much more precise than those obtained using conventional methods.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260170409
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  • 9
    Electronic Resource
    Electronic Resource
    Modeling linear and variable growth in phosphate limited suspension cultures of Opium poppy (1991)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 38 (1991), S. 371-379 
    Details
    ISSN: 0006-3592
    Keywords: plant tissue culture ; Papaver somniferum ; linear growth ; phosphate limitation ; modeling ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: In examining the growth kinetics of cell suspensions of opium poppy (Papaver somniferum), the increase in biomass with time was observed to be linear over the entire batch growth period of up to 20 days. Although batch growth profiles were reproducible utilizing the same inoculum, growth rates varied tremendously when experiments were inoculated with cells from different flasks. Both of these phenomena are difficult to explain with conventional batch growth models. In a series of a experiments, phosphate was determined to be the growth-rate-limiting substrate. By expressing growth rate in terms of the intracellular reserves of phosphorus, a growth model which expresses kinetics in terms of the intracellular phosphorus contents of the cells is shown to predict both linear growth character and inoculum dependent variability in growth. The stationary phase phosphate content of seven plant suspension cultures of different plant species was found to be comparable to phosphorus levels of phosphate-starved poppy cells, which suggests that phosphate limitation may be common for plant tissue culture. The applicability of this model to other biological systems which display similar batch growth patterns when subjected to inorganic nutrient deprivation is discussed.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260380407
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  • 10
    Electronic Resource
    Electronic Resource
    Estimation of Growth Yield and Maintenance Coefficient of Plant Cell SuspensionsJournal article 12859 of the Purdue University Agricultural Experiment Station. (1991)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 38 (1991), S. 1131-1136 
    Details
    ISSN: 0006-3592
    Keywords: plant cell suspensions ; carbon utilization ; growth yield ; maintenance coefficient ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Methodology is presented for the determination of growth yield (Yg) and maintenance coefficient (m) for carbon utilization of plant cells grown in suspension culture. Estimation of Yg and m requires measurements of specific growth rate (µ) and specific rate of substrate uptake (q) at different growth limiting substrate concentrations. Batch culture of tobacco cells did not permit evaluation of Yg and m because µ is constant and maximal during most of the growth cycle. In batch culture, the period of declining specific growth rate is extremely brief because of the rapid transition from logarithmic growth to stationary phase. This occurs because the Km for growth is relatively small compared to the initial sucrose concentration. Thus, when the substrate level reaches the Km, the large mass of cells rapidly depletes the remaining substrate. In contrast, semicontinuous culture facilitates the determination of Yg and m because various steady-state growth rates can be achieved. Mathematical expressions were developed to determine the effective values of µ and q over the semicontinuous replacement interval. The validity of this approach was verified by conducting simulations using experimentally determined parameters.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260381003
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