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  • 1985-1989  (683)
  • 1955-1959
  • 1850-1859
  • 1985  (683)
  • Biochemistry and Biotechnology  (457)
  • Computational Chemistry and Molecular Modeling  (226)
  • Atomic, Molecular and Optical Physics  (138)
Source
Material
Years
  • 1985-1989  (683)
  • 1955-1959
  • 1850-1859
Year
Keywords
  • 101
    Electronic Resource
    Electronic Resource
    Announcement (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 663-663 
    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
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280513
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  • 102
    Electronic Resource
    Electronic Resource
    Inner projection with and without perturbation theory: The anharmonic oscillator revisited and the quadratic Zeeman effect in ground-state hydrogen (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 665-686 
    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: This paper serves a twofold purpose. First, Löwdin's inner projection in both nonperturbative and perturbative forms is applied to the quartic anharmonic oscillator. Inner projection with perturbation theory yields rational approximations to Brillouin-Wigner-type perturbation expansions. These lower bounds are compared with [N - 1, N] Padé approximants to the Rayleigh-Schrödinger perturbation series for this problem. These Padés are also expressible as the even convergents, w2N, of a Stieltjes-type continued fraction. The latter representation has certain advantages with respect to its Padé counterpart. Inner projection without perturbation theory provides significantly better results than the perturbative version. The application of inner projection techniques to a perturbed hydrogen atom is not straightforward. The usual problems associated with the continuum spectrum of hydrogen are present. By means of a nonunitary “tilting” transformation associated with the Lie group SO(4, 2), these problems may be bypassed. In the SO(4, 2)-reformulated eigenvalue problem, a reinterpretation of the basic variables, as developed by Silverstone and Moats, yields a new Hamiltonian that permits direct use of the inner projection method. This method has been applied to the ground state of the hydrogen atom in a magnetic field, using both four- and eight-dimensional basis manifolds. This represents the first application of inner projection to this problem.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280602
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  • 103
    Electronic Resource
    Electronic Resource
    Quasirelativistic methodsSponosored by the Polish Academy of Sciences, project No. MR.I.5 (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 741-756 
    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 comparative study of quasirelativistic equations used in atomic structure calculations has been performed. A uniform derivation of all the equations is presented, and some of their specific features are discussed in detail. Electron density distributions, orbital energies, and expectation values of rn obtained with different methods are compared with the ones resulting from the Schrödinger and Dirac equations. The most accurate are found to be the equations of Wood and Boring and of Barthelat, Pelissier, and Durand. (They reproduce almost exactly the Dirac electron densities and expectation values.) The simplest, though least accurate, equation is proposed by us. It gives the relativistic energy corrections with about 6% accuracy and retains exactly the form of the nonrelativistic Schródinger equation. Consequently, its application in analytical SCF-CI calculations does not require any additional integral calculation.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280609
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  • 104
    Electronic Resource
    Electronic Resource
    Efficient method for computation of representation matrices of the unitary group generators (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 59-70 
    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 representation matrices of the unitary group generators Ek1 are equivalent to the representation matrices of cyclic permutations (k, k ± l, …, l ∓ 1, l). A method is presented for simultaneous computation of matrices corresponding to all different generators at a cost of less than one multiplication per nonzero element. The number of operations necessary for calculation of individual matrices for single generators or for products of two generators is at most proportional to the number of matrix elements of the final matrix. This approach eliminates the need to store the representation matrices in CI calculations.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270105
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  • 105
    Electronic Resource
    Electronic Resource
    A theoretical study of C4H5N isomers: Comparison of cyano and isocyano as substituents (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 1-10 
    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: Ab initio molecular orbital calculations using a 3-21G basis set have been used to optimize geometries for pyrrole, CH3(X)CCH2, CH3(H)CCHX (both cis and trans), c-C3H5X, and CH2CHCH2X, where X is CN and NC. In all the alkenyl derivatives methyl groups are found to adopt the conformation in which the methyl hydrogen eclipses the double bond. 6-31G*∥3-21G level calculations show the alkenyl cyanides to be of similar energy to pyrrole, but the isocyanides are ∼20 kcal mol-1 higher in energy. For both substituents the cyclopropyl derivatives are higher in energy by ∼10 kcal mol-1. At the 6-31G* level ring strain is 27.7 kcal mol-1 for the cyanide and 30.6 kcal mol-1 for the isocyanide. Data on the relative energies of RCN and RNC are compared when R is (i) a saturated hydrocarbon, (ii) an unsaturated hydrocarbon, (iii) an α-carbenium ion, (iv) an allyl cation, and (v) an α-carbanion.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270102
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  • 106
    Electronic Resource
    Electronic Resource
    Information theoretic indices for characterization of chemical structures. By Danail Bonchev Wiley, New York, 1983 (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 103-103 
    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
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270109
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  • 107
    Electronic Resource
    Electronic Resource
    Electronic structure of the peptide linkage. II. A molecular orbital treatment of the electronic spectra of benzohydroxamic acids (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 115-133 
    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 electronic absorption spectra of some benzohydroxamic acids have been analyzed and interpreted using the results of molecular-orbital calculations. Charge density distributions, dipole moments, and the extent of delocalization of the MOS were used to interpret the observed solvent effects. Comparison between the spectra of benzohydroxamic acids and that of simple amides led to conclusions regarding the structural differences between the two classes of compounds.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270203
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  • 108
    Electronic Resource
    Electronic Resource
    Brillouin zone double integrals (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 109-113 
    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 semianalytic scheme is proposed for the evaluation of Brillouin zone (BZ) double integrals such as are met in the evaluation of Compton profiles (CPS) and the angular distribution of annihilation photons (ADAPS) obtained in single-slit positron annihilation experiments. The difficulty that arises due to the jump discontinuities in the momentum density at the generalized Fermi surfaces (FS +HMC), pF = kF + g, where kF is the electron Fermi momentum vector and g is a reciprocal lattice vector, is addressed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270202
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  • 109
    Electronic Resource
    Electronic Resource
    Sur la theorie quantique des equations de hartree-fock dependant du temps. IV. Expression matricielle du tenseur d'hyperpolarisabilité (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 167-171 
    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: Following a paper drawing up a matrix form of the time-dependent Hartree-Fock equations which allow the calculation of the nth harmonic generation, we establish the matrix form of the hyperpolarizability tensor. In case of linear polarization, we show that, if the ground-state orbitals are real, so are the perturbed ones. This involves an easy expression of the hyperpolarizability tensor.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270207
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  • 110
    Electronic Resource
    Electronic Resource
    On a unified treatment of kinetics and diffusion, and a connection to a nonlocal boltzmann equation (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 203-218 
    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: Fick's law of diffusion has been generalized to include kinetic processes, the transport term of the Boltzmann equation, and nonlocal interaction processes. It is shown that the collision interaction term can be obtained by the introduction of a quantum stochastic potential equation. Some approximations of a nonlocal Boltzmann equation can be solved exactly. The solutions can be applied to problems of molecular pattern in biology.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270211
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  • 111
    Electronic Resource
    Electronic Resource
    Masthead (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985) 
    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
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270301
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  • 112
    Electronic Resource
    Electronic Resource
    Kinetic energy functional in hyperspherical coordinates (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 273-280 
    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: Hyperspherical coordinates and a generator coordinate representation are employed to find a simple form of the kinetic energy for a general three-particle problem. An expression is developed for the determination of adiabatic hyperangular states in a local potential using the finite element method.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270305
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  • 113
    Electronic Resource
    Electronic Resource
    Masthead (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985) 
    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
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270401
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  • 114
    Electronic Resource
    Electronic Resource
    Local behavior of the kinetic energy in density functional theory (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 393-406 
    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 local behavior of several approximate kinetic energy functionals is analyzed, for the case of free atoms and ions, by comparison with the local kinetic energy of Hartree-Fock theory. The atomic electron densities used are, in all cases, Hartree-Fock electron densities. The kinetic energy functional obtained by the gradient expansion method (with a small number of terms) is, locally, not very accurate, but its integrated value is fortuitously accurate, due to a strong cancellation of errors. Functionals which have the Weizsäcker term tw = (Δ ρ)2/8ρ as a key ingredient are more accurate locally. The explicit incorporation of the shell structure and nonlocal density effects into the kinetic energy functional leads to the best results. The motivation for this work is that only a kinetic energy functional with an accurate local behavior will give good electron densities on solution of the Euler equation derived from it.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270404
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  • 115
    Electronic Resource
    Electronic Resource
    Potential-Derived point-charge model study of electrostatic interaction energies in some hydrogen-bonded systems (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 427-437 
    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: Mulliken's atomic charges (MC) and potential derived (PD) point charges obtained from STO-3G wave functions are used to study the electrostatic interaction energies for a series of representative hydrogenbonded complexes. The results of the above-mentioned models are compared with the more accurate results of segmental multipole moment (SMM) expansion, and it is shown that the PD model is superior to the Mc model. The results of PD model are shown to be well correlated with the results of SMM expansion technique. Results of our calculations using 6-31G and 6-31G** PD charges are also reported here. Electrostatic interaction energies obtained using 6-31G** PD charges are compared with the 6-31G** SCF interaction energies available for the nine hydrogen-bonded dimers of ammonia, water, and hydrogen fluoride and a good con-elation between the two is shown. The interrelationship between the results of different basis sets are also examined for the PD point-charge model. The electrostatic interaction energies obtained using STO-3G PD model are shown to be well correlated to the results of 6-31G and 6-31G** PD models.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270407
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  • 116
    Electronic Resource
    Electronic Resource
    Hartree-Fock calculations on quartet s, p, d, and f states of boron iii (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 475-479 
    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: Hartree-Fock energies are reported for about 20 low-lying quartet states of B III. A comparison with experimental transition wavelengths shows that Hartree-Fock energies can be helpful to rule out erroneous assignments but that, in general, their accuracy is insufficient for definite confirmation of proposed assignments.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270412
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  • 117
    Electronic Resource
    Electronic Resource
    Approximate calculation of lifetimes of resonance states in the continuum from real stabilization graphs (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 495-500 
    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: Simons has previously derived a simple formula for the linewidth Γ of a resonance state in the continuum from real stabilization graphs under the assumption that the energy curves vary almost linearly near the points of avoided crossing. This formula is now rederived without this restricting assumption under the condition that Γ is still small.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270414
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  • 118
    Electronic Resource
    Electronic Resource
    One-Parameter double-zeta atomic functions for the hartree-fock energies of helium isoelectronic sequence (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 559-565 
    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 double-zeta atomic functions are characterized by the nuclear charge z of the two-electron atomic system. The Hartree-Fock total energies and the corresponding orbital energies are calculated using various atomic wave functions for the helium isoelectronic sequence. The expectation values rn of various wave functions are also examined. It is found that the accuracy of our one-parameter double-zeta functions corresponds to the accuracy of the usual five-parameter double-zeta functions.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270505
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  • 119
    Electronic Resource
    Electronic Resource
    Numerical method for the open-shell restricted hartree-fock density-matrix direct calculation (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 653-664 
    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 new computation procedure for direct calculation of the density matrix in the LCAO version of the restricted Hartree-Fock-Roothaan open-shell theory is analyzed. It is proved that the procedure is quadratically convergent and stable to the round-off errors independently of the Fock operator spectrum. The dependence of the limit matrix of the initial matrix is examined.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270603
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  • 120
    Electronic Resource
    Electronic Resource
    The antisymmetrized geminal power approximation to the excitation propagator (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 769-780 
    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 consistent propagator approximation, denoted as the excitation propagator, is introduced. This propagator describes excitations between N-particle states and its approximation has properties required of consistent random phase approximation schemes. Several properties of this propagator are explored when based on a generalized antisymmetrized geminal power wavefunction. How singularities in the metric occur and how to remove them is discussed in detail. The excitation propagator is also contrasted with the principal (polarization) propagator.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270611
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  • 121
    Electronic Resource
    Electronic Resource
    Molecular properties from perturbation theory: A Unified treatment of energy derivatives (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 27 (1985), S. 743-768 
    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 definition of a molecular property as a derivative of the electronic energy with respect to one or more applied perturbations is reviewed. The explicit enumeration of terms entering the derivative formulas is performed by considering in turn the various parameter spaces on which the energy and wave function depend. After deriving general expressions for first, second, and third derivatives for different types of perturbation, the parameter spaces involved in MCSCF and CI cases are identified and used to obtain expressions for the first and second derivatives. An example of an MCSCF third derivative is also given. In addition, the various equation systems defining the perturbed wave functions in each order are derived. Some attention is given to the efficient computer implementation of derivative calculations, and the present work is compared with that of other authors.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560270610
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  • 122
    Electronic Resource
    Electronic Resource
    Masthead (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985) 
    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
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280101
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  • 123
    Electronic Resource
    Electronic Resource
    Ab initioMODPOT/VRDDO/MERGE calculations on energetic compounds. IV. Nitrocubanes: Mononitro to octanitro quantum chemical calculations and electrostatic molecular potential contour maps (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 39-59 
    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: Ab initio MODPOT/VRDDO/MERGE calculations have been carried out for all the different position isomers of nitrocubane from mononitrocubane through octanitrocubane for a perfect symmetrical cubic cubane skeleton and for mononitrocubane through septanitrocubane for the almost cubic experimentally determined cubane skeleton. These calculations were carried out with our own rapid efficient ab initio programs which also incorporate a number of desirable computational strategies for calculations on large molecules. The skeletal total overlap population of the cubane skeleton (a theoretical index we showed years ago to be sensitive and predictive of stability of energetic molecular frameworks) indicates that successive nitration seems to increase the stability of the cubane skeleton. Successive nitration also seems to increase the total overlap population of the C—NO2 bond. There are subtle differences depending on the exact positional isomer for a constant number of nitro groups - but the overall trend is definite. We have also generated electrostatic molecular potential contour (EMPC) maps around these nitrocubanes. These maps are indicative of preferred positions of electrophilic and nucleophilic attack as a function of the number of nitro groups or their positions. These EMPC maps can also indicate, to a first approximation, a limit on how close these molecules may be able to approach each other in a crystal.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280105
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  • 124
    Electronic Resource
    Electronic Resource
    Masthead (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985) 
    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
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280201
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  • 125
    Electronic Resource
    Electronic Resource
    Generalized Dirac identities and explicit relations between the permutational symmetry and the spin operators for systems of identical particles (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 181-202 
    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 well known one-to-one correspondence between the eigenstates of the total spin for a system of spin-½ particles and irreducible representations of the symmetric group with up to two rows in the Young shape is the basis of interesting formal developments in quantum chemistry and in the theory of magnetism. As an explicit manifestation of this correspondence the class operators of the symmetric group are demonstrated to be expressible in terms of the total spin operator. This correspondence does not hold for higher elementary spins. The extension to arbitrary spin is investigated using Schrödinger's generalization of the Dirac identity, which expresses the transpositions in terms of two-particle spin operators. It is shown that additional operators, which for σ = ½ reduce to the total spin operator, are needed for a complete classification. Some aspects of the formalism are developed in detail for σ = 1. In this case a classification identical with that provided by the irreducible representations of the symmetric group is obtained in terms of the eigenstates of two commuting operators, one of which is the total spin operator.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280203
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  • 126
    Electronic Resource
    Electronic Resource
    The relationship between electron densities and the pKa values in a series of methylpyrazines (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 239-244 
    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: Based on the literature values, the pK1 and pK2 for pyrazine and its six methyl derivatives, the correlation with electron density on the nitrogen atoms N1 and N4 was found. The effect of methyl group was proved to be additive. The total electron density, π-electron density, and dipole moments for compounds under study were determined by the CNDO/2-MO method.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280207
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  • 127
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    Effect of hubbard interaction on solitonic excitations in polyacetylene (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 451-457 
    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 have studied the effect of Hubbard interaction on solitonic excitations in the polymer trans-polyacetylene. These excitations are modeled using the Su, Schrieffer, and Heeger (SSH) Hamiltonian. Within this framework, we have calculated the full configuration interaction and restricted Hartree-Fock energies of solitonic excitations in trans-polyacetylene chains with 4-10 carbon atoms. These results are extrapolated to longer chains, and it is shown that the correlation energy for these chains approaches 3%. Thus, our calculations provide a justification, hitherto absent, of the accuracy of the Hartree-Fock calculations reported in the literature.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280404
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  • 128
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    Collisional transfer of rovibrational energy from quantum calculations. II. The case of LiH with He (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 499-516 
    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 collisional exchange of energy between He atoms and a strongly polar diatomic, the LiH target, has been studied theoretically over a range of relative energies that had been previously sampled by experiments with molecular beams. The relative importance of the rotational and/or vibrational channels is examined by studying in detail the effect of the interaction via a model potential coupling parameter. The different behavior exhibited by differential cross sections (total and partial inelastic) is also analyzed in terms of the strength and shape of the interaction anisotropy.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280407
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  • 129
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    Ab initio calculations on the barrier to pseudorotation of model 2′-deoxyfuranose and 2′-deoxy-2′-fluorofuranose rings (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 517-523 
    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: Model ring systems 2′-deoxy-2′-fluororibofuranose and deoxyribofuranose have been investigated using ab initio calculations with the 3-21G basis set. The energy barrier to pseudorotation between the N and S states has been evaluated for the three preferred orientations of the (3′)-OH group. Positions of the energy minima and the transition state have been optimized with respect to the (3′)-OH orientation. The barrier to pseudorotation of 2′-deoxy-2′-fluorofuranose is high and asymmetrical (ΔEN→S ≈ 20, ΔEN←S ≈ 8 kJ/mol), whereas the barrier of 2′-deoxyfuranose is lower and almost symmetrical (ΔE ≈ 11-12 kJ/mol). The results obtained show that the preferred configuration of the 2′-deoxy-2′-fluororibo-furanose (N state) is stabilized by an internal O(3′)-H…F interaction in accord with the crystallo-graphic data.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280408
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  • 130
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    Adiabatic SCF potential energy curves relevant to proton-oxygen molecular collisions (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 553-564 
    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 large vibrational inelasticity observed in proton-O2 scattering at collision energies of ∼10.0 eV and for various angular distributions below the rainbow region is examined in terms of SCF adiabatic potential energy surfaces which exhibit strong O2+ “character” within a specific range of relative distances between colliding partners. The possibility for this O2 distortion during encounters with protons to be responsible for the unusually large inelasticity is discussed and the time factors that are likely to play an important role during the dynamics are also considered and analyzed.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280502
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  • 131
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    Overlap integrals for atom-metal surface interactions (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 631-639 
    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: Atom-metal surface overlap integrals are of utmost importance in surface energy calculations. Direct numerical evaluation of these triple integrals can be very time-consuming. However, we have developed an exact algebraic expression, where formulas for the coefficients are given for both the general case and the special case where the parallel wave vector is zero. Some numerical examples of the overlap for H on Al are given.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280509
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  • 132
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    The hydrogen molecule for a two-dimensional system (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 661-661 
    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
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280512
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  • 133
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    Orbital correlation diagrams based on multiconfigurational variation of moments I. Theory (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 691-701 
    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 multiconfigurational variation of moments (MCM) is presented to determine correlated orbital energies. Appropriate multiconfigurational one-particle operators are introduced starting for closed-shell systems from the restricted Hartree-Fock (RHF) scheme and for open-shell system from the unrestricted Hartree-Fock (UHF) scheme. The advantage of these operators is the linear form of the correlation energy in the configuration interaction (CI) coefficients. They obey HF analogous pseudoeigenvalue equations and are therefore a generalization of the HF operator. In principle, the scheme can be extended to a multiconfiguration self-consistent field (MCSCF) procedure for moments. In contrast to the SCF formalism they allow an orbital description of degeneracy and quasidegeneracy of the highest occupied (HOMO) and lowest unoccupied (LUMO) molecular orbital. With these operators, funnels of thermally forbidden Woodward-Hoffman reactions, as well as dissociations, can be described in a physically meaningful fashion by orbitalcorrelation diagrams.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280604
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  • 134
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    Molecular-orbital treatment of some heterocycles with three hetero-atoms and their benzo-derivatives (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 731-740 
    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: Molecular-orbital calculations, using the INDO procedures, were carried out on the tautomers of 1, 2, 4-triazole and its benzo-derivative as well as on 1, 2, 5-oxadiazole and its benzo-derivative. Calculations of the transition energy as well as the dipole moment helped to predict the predominant tautomer in an equilibrium mixture. The correspondence between the calculated and observed data is satisfactory. The results of calculations indicated some differences in the electronic structures of the tautomers of a compound.
    Additional Material: 9 Tab.
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    URL: http://dx.doi.org/10.1002/qua.560280608
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  • 135
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    Theoretical investigations of the electronic states of porphyrins. III. Low-lying electronic states of porphinatoiron(II) (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 773-796 
    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: Ab initio configuration interaction calculations are reported on the lowest quintet, triplet, and singlet states of FeII(P). Due to the large number of states found, a catalog of the low-lying states is presented. Novel triplet and quintet charge-transfer states are reported as low as 1.3 eV. These states are d5 (S = 5/2) on the iron low-spin-coupled to the radical anion excited porphyrin ring (S = 1/2 or 3/2). Oscillator strengths originating from each of three low-energy triplet states are reported.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280611
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  • 136
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    Length dependence of the optical transition energies of the exactly solvable Hubbard model for linear polyenes (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 581-591 
    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: Some accurate results on the length dependence of the excitation energies from the ground state to ionic excited states in the Hubbard model of linear polyenes are obtained based on the method of Lieb and Wu. To this end, it is first shown that singly ionic excited states with “plus” alternancy symmetry in the Hubbard model are described by the wave functions in which the two electron operator [∑n=1N(-)nCnα+Cnβ+] is acted on (N - 2)-electron covalent eigenstates. Then by solving the Lieb-Wu equations the exact excitation energies of the lowest ionic state, which corresponds to the E1+ state in this model, are calculated for systems with up to 50 electrons. The result, together with a correction for the end effect, indicates that the excitation energies do not decrease as 1/N but converge to the limiting value more rapidly when the number of electrons N becomes large.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280505
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  • 137
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    Symmetry aspects of diatomics-in-molecules (DIM) calculations: Construction of spin-adapted bases (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 593-601 
    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 new procedure for construction of spin-adapted DIM bases is described. The procedure is based on the direct diagonalization approach, is quite general, and seems to be especially suited for computer implementation. The structure of the bases obtained by the procedure appears to be favorable for performing symmetry operations necessary in setting up the Hamiltonian matrices in semiempirical applications of the DIM method.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280506
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  • 138
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    The role of d orbitals in tetrahedral hybrid orbitals of oxy-ions (1985)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 28 (1985), S. 641-648 
    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 hybrid orbitals of tetrahedral oxy-ions containing some d character have been calculated by maximum overlap method. The d characters of hybrid orbitals increase in the order of SiO44-, PO43-, SO42-, ClO4-, and decrease in order of GeO44-, AsO43-, SeO42-, BrO4-. The bond strengths are also obtained for these ions. The hybrid Orbital of VO43-, CrO42-, and MnO4- are of the type d3s as the result of calculation.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560280510
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  • 139
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    Optimization of solid substrate fermentation of wheat straw (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 20-27 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Optimal conditions for solid substrate fermentation of wheat straw with Chaetomium cellulolyticum in laboratory-scale stationary layer fermenters were developed. The best pretreatment for wheat straw was ammonia freeze explosion, followed by steam treatment, alkali treatment, and simple autoclaving. The optimal fermentation conditions were 80% (w/w) moisture content; incubation temperature of 37°C; 2% (w/w) unwashed mycelial inoculum; aeration at 0.12 L/h/g; substrate thickness of 1 to 2 cm; and duration of three days. Technical parameters for this optimized fermentation were: degree of substance utilization, 27.2%; protein yield/substrate, 0.09 g; biomass yield/bioconverted substrate, 0.40 g; degree of bioconversion of total available sugars in the substrate, 60.5%; specific efficiency of bioconversion, 70.8%; and overall efficiency of biomass production from substrate, 42.7%. Mixed culturing of Candida utilis further increased biomass production by 20%. The best mode of fermentation was a semicontinuous fed-batch fermentation where one-half of the fermented material was removed at three-day intervals and replaced by fresh substrate. In this mode, protein production was 20% higher than in batch mode, protein productivity was maintained over 12 days, and sporulation was prevented.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270104
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  • 140
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    Biological removal of pyritic sulfur from coal by the thermophilic organism Sulfolobus acidocaldarius (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 41-49 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: More than 90% of initial pyritic sulfur was removed from bituminous coal samples (containing 2.1% pyritic sulfur) using the thermophilic organism Sulfolobus acidocaldarius. Microbial desulfurization rate was improved nearly ten fold by adjusting the N/P and N/Mg ratios in the nutrient medium. Environmental conditions were optimized. The optimal values of temperature and pH were 70°C and 1.5, respectively. The influence of certain process variables (such as coal pulp density, particle size, and initial cell number density) on the rate of pyritic sulfur removal were determined. A pulp density of 20%, particle size of D¯p 〈 48 μm, and an initial cell number density of 1012 cells/g pyrite in coal were found to be optimal. The carbon dioxide enriched air did not improve the rate of pyritic sulfur removal compared to pure air at 10% pulp density of coal samples containing 2.1% pyritic sulfur. The kinetics of microbial leaching of pyritic sulfur from coal was investigated. The rate of leaching was found to be first order with respect to pyritic sulfur concentration in the reaction medium.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270107
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  • 141
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    Stability and performance of mesophilic anaerobic fixed-film reactors during organic overloading (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 86-93 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The stability of downflow stationary fixed-film (DSFF) reactors was evaluated under extreme organic shock loads. Reactors could handle five- to sevenfold increases in organic loading and recover to normal performance in a relatively short period of time (usually 24-72 h) during treatment of well-buffered sucrose and acetic acid wastewater at 27 and 35°C. Overloading was characterized by elevated volatile-acid concentrations, decreased reactor pH, and excess biofilm sloughing. Reactors could not cope with extreme organic shocks during treatment of poorly buffered sucrose wastewater. The pH of the mixed liquor was observed to be a more important factor than the volatile-acid concentration in determining whether DSFF reactors would recover in a reasonable period of time.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270111
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  • 142
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    Synergistic action of α-amylase and glucoamylase on hydrolysis of starch (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 260-265 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Synergistic action of α-amylase and glucoamylase on hydrolysis of starch is modeled by the kinetic equations presented in this paper. At the early stage of the reaction α-amylase acts as a contributor of newly formed nonreducing ends of starch molecules to glucoamylase by splitting the original starch molecules. This is expressed by the simultaneous differential equations which consist of each rate equation for α-amylase and glucoamylase. After the molecular weight of the substrate decreases to the value of about 5000, which is obtained experimentally in this work, the action of α-amylase can be neglected and the rate of formation of glucose obeys only the rate equation for glucoamylase.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270308
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  • 143
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    Application of a two-compartment model to the wall growth of Pelobacter acidigallici under continuous culture conditions (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 296-301 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Continuous cultivation of Pelobacter acidigallici on gallic acid is accompanied by biofilm formation. Steady states can be obtained at dilution rates nearly twice the maximum growth rate. A two-compartment model is presented which allows us to determine rate constants of attachment and detachment. The model is based on the assumption that the biofilm is fully penetrated by the substrate. At high dilution rates the outcome of our experiments is mainly determined by the attachment rate. The influence of the thickness of the biofilm is discussed in order to demonstrate the limitations of the model.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270313
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  • 144
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    Enzymatic hydrolysis and fermentation of corn for fuel alcohol (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 321-326 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The integration of enzyme saccharification with fermentation reduces the total time required to produce acceptable levels of ethanol. The use of a more concentrated mash (84.8 L total mash/bu corn) results in a 26.6% increase in ethanol productivity and a 21.4% increase in beer ethanol concentration compared to standard corn mash (96.6 L total mash/bu corn). Thus, the energy requirement and cost of distillation can be reduced. The addition of waste cola syrup at 30 g invert sugar/L total mash gave a 19% increase in ethanol concentration in the final beer and required only a small increase in the period of fermentation. Surplus laundry starch can replace 30-50% of the weight of corn normally used in fermentation without influencing ethanol production or the time required for fermentation. Both of these waste materials reduce the unit cost of ethanol and demonstrate the value of such substances in ethanol systems.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270317
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  • 145
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    Dried calcium alginate/magnetite spheres: A new support for chromatographic separations and enzyme immobilization (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 137-145 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Dried spheres made from an alginate solution containing magnetite particles have excellent potential as a support for enzyme immobilization and chromatographic applications. The beads were found to be much stronger than gels such as polyacrylamide and dextran, indicating that high flow rates and pressures could be used in column separations. The support withstood not only temperatures of up to 120°C, but also most pH values and common solvents. While some solutions, such as phosphate buffers, dissolved the spheres, stabilization with Tyzor TE® eliminated this problem. The physical properties of the beads include a glasslike density of 2.2 g/mL, excellent sphericity, low porosity, and a narrow size distribution. The magnetite present in the support allows the beads to be used for magnetic separations such as high gradient magnetic filtration. Their high degree of microroughness provides a large exposed surface area for enzyme and ligand binding. Mixed Actinomyces fradiae proteases and Aspergillus niger α-amylase, two enzymes representative of classes which attack large substrates, were immobilized on the bead's surface with high activity and stability. A cyanuric dye which can be used in chromatographic applications (Cibacron Blue F3GA®) was also readily coupled to the surface of this support with good yield. The support should have a wide range of applications in bioseparation and immobilized biochemical technology.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270206
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  • 146
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    A standard formula for the determination of the initial rate of hydrolysis of carboxymethylcellulose (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 409-414 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The integrated rate equation of Huang, originally used to describe the hydrolysis of insoluble acid treated cellulose, is shown equally applicable in describing the hydrolysis of carboxymethylcellulose (CMC) using a dilution series of Cellulomonas sp. ATCC 21399 crude cellulase as enzyme preparation. Interpretation of the progress curves of hydrolysis of CMC according to the integrated rate equation is used to calculate a standard formula for the conversion of the rate of hydrolysis into the initial velocity of hydrolysis. The validity of the standard formula is tested, using enzyme preparations from Cellulomonas grown under varied conditions, and enzyme preparations containing purified endoglucanases from Cellulomonas.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270404
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  • 147
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    Studies on chemically aggregated pepsin using glutaraldehyde (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 415-419 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Porcine pepsin was immobilized by chemical aggregation using glutaraldehyde as a bifunctional crosslinking agent. The immobilzed pepsin followed Michaelis-Menten kinetics (Km = 5.3 × 10-5 M) and the yield of immobilization was 91%. The activation energy of the immobilized preparation was 90,613 cal/mol as compared to 67,532 cal/mol for native pepsin. Using acid-denatured hemoglobin and N-acetyl phenyl-alanyl-3, 5-diiodotyrosine (APDT) as substrates, the activities shown by the immobilized pepsin were, respectively, 67 and 79% that of the soluble pepsin. The immobiized pepsin showed marked stabilization against pH, temperature, urea, and guanidine hydrochloride. The activity of the immobilized preparation in the presence of urea was greater when hemoglobin was used as the substrate than when APDT was used as substrate. Storage of the preparation under refrigerated conditions for 160 days showed 58% retention in enzyme activity. The immobilized pepsin can be removed from the reaction mixture volume easily, retaining nearly 100% of its activity even after being used in seven consecutive assays.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270405
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  • 148
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    The response of a nitrogen-limited chemostat culture of Escherichia coli B/r to pH and dilution rate steps (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 439-446 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The effects of four pH steps and one dilution rate step are described for an ammonia-nitrogen-limited continuous culture of Escherichia coli B/r. Two of the pH steps, 6.06-5.49 and 5.96-5.60, led to prolonged transients in both cell density and rate-limiting nutrient concentration. The other two pH steps, 6.20-5.96 and 5.60-6.20, had almost no effect on the culture. The dilution rate step led to a sharp transition in the steady-state external pyruvate concentration. Monitoring of the external pyruvate concentration for the pH 5.96-5.60 step revealed that the transient phase continued long after the cell density and rate-limiting nutrient concentration returned to steady-state values. The implications for industrial and laboratory fermentations are discussed.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/bit.260270408
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    Purification and immobilization of rabbit liver aldehyde oxidasePart 14 in “The use of enzymes in organic synthesis.” For part 13 see M. C. R. Franssen and H. C. van der Plas, Recl. Trav. Chim. Pays-Bas., 103, 99 (1984). (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 447-455 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Aldehyde oxidase (E.C. 1.2.3.1) was isolated from rabbit liver and two potential bioaffinity ligands, i.e., 3-aminocarbonyl-1-benzyl-6-methylpyridinium bromide and 3-aminocarbonyl-1-benzyl-4,6-dimethylpyridinium chloride, were tested for their applicability in a purification procedure for this enzyme. Various supports and different coupling methods were investigated for the immobilization of aldehyde oxidase. Adsorption to n-hexyl- and n-octylamine-substituted Sepharose 4B and DEAE Sepharose 6B gave the best retention of aldehyde oxidase activity. The storage stability of free enzyme and enzyme immobilized to n-octylamine-substituted Sepharose 4B was studied in several buffers at pH 7.8 and 9.0. This showed that the stability of immobilized enzyme was much less than that of free enzyme. The apparent operational stability of the immobilized enzyme preparation, however, improved substantially compared to soluble enzyme, although the corresponding product yield is still very poor. Coimmobilization of catalase and/or superoxide dismutase provided no significant increase of the apparent operational stability and product yield. A positive effect on both parameters was found for aldehyde oxidase-n-alkylamine Sepharose 4B preparations by increasing the amount of enzyme adsorbed per unit weight of support, whereas the productivity of these preparations remained about constant.
    Additional Material: 3 Ill.
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  • 150
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    Kinetics of cellobiose hydrolysis using cellobiase composites from Ttrichoderma reesei and Aspergillus niger (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 463-470 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The enzymatic hydrolysis of cellulose to glucose involves the formation of cellobiose as an intermediate. It has been found necessary1 to add cellobiase from Aspergillus niger (NOVO) to the cellobiase component of Trichoderma reesei mutant Rut C-30 (Natick) cellulase enzymes in order to obtain after 48 h complete conversion of the cellobiose formed in the enzymatic hydrolysis of biomass. This study of the cellobiase activity of these two enzyme sources was undertaken as a first step in the formation of a kinetic model for cellulose hydrolysis that can be used in process design. In order to cover the full range of cellobiose concentrations, it was necessary to develop separate kinetic parameters for high- and low-concentration ranges of cellobiose for the enzymes from each organism. Competitive glucose inhibition was observed with the enzymes from both organisms. Substrate inhibition was observed only with the A. niger enzymes.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270411
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  • 151
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    Oxygen transfer in liquids (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 503-508 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: In the laboratory-type airlift tower reactor oxygen transfer from air in tap water and/or polyacrylamide solutions (Neuperm WF) was studied. In order to characterize the system, volumetric coefficient of oxygen transfer was determined by the gassing-out method. Two arrangements of the airlift tower reactor were compared, namely the reactor with and without motionless mixer. In addition, mean relative gas holdup and gas power output were determined for both arrangements.
    Additional Material: 9 Ill.
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    URL: http://dx.doi.org/10.1002/bit.260270416
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  • 152
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    Performance of hydrophobic chromatography in purification of α-amylase (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 514-518 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Hydrophobic ligands were introduced onto agarose beads, and the adsorption capacity of the beads was measured. The adsorption capacity increased with increase in the carbon number of the ligand, ionic strength of the buffer solution, and temperature. Crude α-amylase was purified with these hydrophobic adsorbents and the breakthrough and elution curves were estimated based on the mass transfer theory. Under strongly hydrophobic conditions, impurities contained in crude feeds and the lack of uniformity of packing caused by aggregation of beads affected adsorption and elution behaviors.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270418
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  • 153
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    Chemical and enzymic pretreatment of corn stover to produce soluble fermentation substrates (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 362-368 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Corn stover was pretreated with various chemical agents, including sodium hydroxide, sulfuric acid, ethylenediamine, n-butylamine (either alone or in solution with methanol), and acetonitrile or ethanol containing hydrochloric acid. Of these chemicals, n-butylamine was the best reagent for pretreatment of corn stover, considering the degree of loss of total carbohydrate, delignification, cumulative weight loss, cumulative yield of reducing sugars per original total carbohydrate, and the potential ease of recovery and reuse of reagent. In comparison to the other reagents tested, n-butylamine (n-BA) selectively delignified corn stover. The best conditions were as follows: a 12-h presoak of about a 155 g dry wt/L slurry (1 mm average particle size) in 100% n-BA at room temperature, followed by 30 min of refluxing (86.5°C) with 40% (w/w) n-BA-distilled water solution. The cumulative yield of reducing sugars after enzymic hydrolysis was 44.5% of the original total carbohydrate and the cumulative total weight loss (dry basis) was 59%. Degradative loss of total carbohydrate during pretreatment was not detected.
    Additional Material: 5 Tab.
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    URL: http://dx.doi.org/10.1002/bit.260270322
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  • 154
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    Simultaneous saccharification and fermentation of cellulose: Effect of ethanol on enzymatic saccharification of cellulose (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 389-397 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: It was confirmed that simultaneous saccharification and fermentation are effective for accelerating enzymatic saccharification of cellulose. In this work, the effects of ethanol on the saccharification of tissue paper by Trichoderma cellulase (Meicelase CEPB) have been investigated. The following results were obtained. (1) Saccharification was inhibited by at least 0.2M ethanol. (2) Less than 4M ethanol did not affect the enzymatic activities of β-glucosidase and endoglucanase (Cx) at all. The thermal stability of endoglucanase was not also varied by ethanol. (3) It is suggested that ethanol depresses the adsorption of exoglucanase on cellulose. (4) The rate expression of saccharification of cellulose in the presense of ethanol is proposed. (5) The inhibititory effect of ethanol was found to become more significant in the later stages of the reaction than just the initial stage.
    Additional Material: 12 Ill.
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  • 155
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    Immobilization of a soluble chemically thermostabilized enzyme (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 572-578 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Cellobiase was coupled to a dialdehyde dextran by reductive alkylation in the presence of sodium cyanoborohydride. The resulting conjugate, obtained without loss of enzymic activity, presents properties of thermoresistance largely superior to those of native enzyme: the rate of inactivation is reduced compared to that of native enzyme and its optimal temperature of activity is 70-75°C instead of 65°C. Finally the conjugate presents increased longevity when subjected to experiments of operational stability; its hydrolytic activity is maintained at 60°C in a 10% (w/v) cellobiose solution for more than 100 h whereas the native enzyme is inactivated after 45 h. The cellobiase-dextran conjugate was immobilized by covalent coupling on aminated silica by reductive alkylation in the presence of NaBH3CN. The characteristics of thermoresistance of this stabilized and immobilized conjugate were studied and compared to those of a preparation of native cellobiase immobilized on a silica support activated with glutaraldehyde. Analysis of the thermoresistance of these two cellobiase preparations clearly shows that immobilization has maintained and even enhanced their properties. In particular, the operational stability, measured at 68°C on 10% (w/v) cellobiose shows an increased longevity of the stabilized and immobilized enzyme for 120 h compared to 60 h for the native immobilized enzyme. Two successive incubations of these cellobiase derivatives show that it is possible to obtain 2.5 times more glucose with the stabilized-immobilized enzyme than with the immobilized preparation. The procedure described above enables us to prepare a thermostabilized immobilized cellobiase.
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/bit.260270505
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  • 156
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    A mechanistic analysis of the inoculum requirement for the cultivation of mammalian cells on microcarriers (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 585-595 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: For the cultivation of mammalian cells on microcarriers a minimum inoculum concentration is required to initiate cell attachment and subsequent cell growth. A critical cell number model has been proposed to elucidate the mechanism of the inoculum requirement. In this model it was hypothesized that after inoculation a critical number of cells per microcarrier is required for normal growth to occur; failure to acquire enough cells will impede cell growth. This critical cell number model was expressed mathematically and used to simulate cell distribution and growth on microcarriers under different cultivation conditions. By comparing the simulated growth kinetics with the experimental results, the actual critical cell number per microcarrier was identified. The critical number could be reduced by employing an improved medium for the cultivation.
    Additional Material: 12 Ill.
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    URL: http://dx.doi.org/10.1002/bit.260270507
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  • 157
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    Malic acid production by an electrochemical reduction system combined with the use of diaphorase and methylviologen (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 596-602 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A regenerating reaction combined with the use of native malate dehydrogenase, native diaphorase, methylviologen, NAD, oxalacetic acid as the substrate and lipoamide as a stabilizer was carried out in the presence of electrolysis. Consequently, malic acid was efficiently produced from oxalacetic acid in the regenerating reaction. A glassy carbon bead electrode was used as a cathode. Twenty four milliamperes were passed at a rotation speed of 500 rpm, 29.8 ± 0.3°C and -1.0 V. It was found that lipoamide has a stabilizing effect on malate dehydrogenase and diaphorase. Low concentration (50 μM) of NAD was also effective for the stabilization of malate dehydrogenase. NADH regeneration activity based on malic acid production rate was 4.7 U/mg of the enzyme protein of the commercial diaphorase preparation. The current efficiency was more than 74%, compared with the theoretical yield, in the presence of enough oxalacetic acid.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270508
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  • 158
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    Use of cell affinity chromatography for separation of lymphocyte subpopulations (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 603-612 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: We describe the use of affinity chromatography for separation of cell populations that do not differ significantly with respect to gross physical properties such as size, density, or charge. Cell affinity chromatography exploits differences in cell surface macromolecules by passage of mixtures of cell populations through a column containing beads to which are attached chemical ligands with specific binding affinity for particular cell surface receptors. In this article we focus on the application of this concept to separation of mature T lymphocytes from peripheral blood. This serves as a model for the separation of these cells from bone marrow in order to prevent graft-vs.-host disease in bone marrow transplantation. However, the concept of cell affinity chromatography should find more general widespread utility in a variety of biotechnological applications. Thus, we introduce a simple theoretical framework which is necessary in order to understand the results that might be expected in any given situation. Finally, we use this theory to provide a tentative explanation for experimental observation of the effects of temperature and flowrate on the degree of separation achieved for our current pplication.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270509
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  • 159
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    Continuous production of ethanol from fructose by immobilized growing cells of Zymomonas mobilis (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 613-620 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Immobilized growing cells of Zymomonas mobilis were found to ferment rapidly and efficiently media containing 100 g/L fructose in a continuous reactor. A volumetric ethanol productivity of 94.8 g/L h was achieved at a substrate conversion of 75.5%. With 97% conversion of substrate the productivity was 28.4 g/L h. At fructose concentrations of 150 and 200 g/L substrate and product inhibitions limited the performance of the reactor. Ethanol production was constant over a period of 55 days.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270510
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  • 160
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    Covalent coupling of microorganisms to a cellulosic support (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 632-637 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Methods for the covalent coupling of microorganisms to a solid support were investigated. Both bacteria and yeast were attached to cellulose particles using cyanuric chloride as the coupling agent, although different experimental procedures were needed for the two types of microbes. This general technique for whole-cell immobilization offers an advantage over entrapment methods in that the cells are attached to the outer surface of the solid, thus eliminating the resistance of a gel to the transfer of nutrients and products. There are also indications that such immobilized cells show high productivities.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270513
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  • 161
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    Biodegradation: Its measurement and microbiological basis (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 660-674 
    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: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270516
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  • 162
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    Filament formation and ethanol production by Zymomonas mobilis in adsorbed cell bioreactors (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 626-631 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Zymomonas mobilis immobilized on microporous ion exchange resins has previously been shown to allow the attainment of high ethanol productivities in packed-bed bioreactors. The formation of bacterial filaments after several days of continuous operation, however, had resulted in excessive pressure increases across the reactor bed. The present work examines techniques for controlling filament formation by Z. mobilis in two reactor sizes (161 mL and 7.85 L) and a feed glucose concentration of 100 g/L. By controlling the fermentation temperature at 20-25°C it has been possible to eliminate filament formation by Z. mobilis and to operate the larger bioreactor for 232 h with an ethanol productivity of 50 g/L h (based on total reactor volume). The rate of ethanol production has been shown to be very sensitive to temperature in the range 20-30°C, and it is likely that slightly higher temperatures than those used in this study will improve ethanol productivity while still permitting long-term operation.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270512
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  • 163
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    Calculation of mean cell residence time for unsteady-state activated sludge systems (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 695-703 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A formulation to calculate the mean cell residence time (MCRT or sludge age) of unsteady-state activated sludge systems is presented. The formulation was studied by applying it to data generated by computer simulation and to data obtained from an actual wastewater treatment plant. The computer simulation study allowed the effects of step and pulse changes in biochemical oxygen demand (BOD) loading, and step changes in a control variable, waste sludge flow rate, to be studied independently of each other and of other disturbances. The unsteady-state MCRT formulation (herein called the dynamic sludge age, or DSA) was found to be an improvement over the traditional steady-state calculation, both for process control, and for research into activated sludge dynamics.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270519
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  • 164
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    Scale-down and optimization studies of the gluconic acid fermentation by Gluconobacter oxydans (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 711-720 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: To simulate production-scale conditions of gluconic acid fermentation by Gluconobacter oxydans, different experimental setups are presented in this study. From the determination of the time constants of a production-scale reactor, it can be concluded that mixing and oxygen transfer are the rate-limiting mechanisms. This results in oxygen concentration gradients which were simulated in a one-compartment reactor in which the oxygen concentration was fluctuated by a fluctuated gassing with air and nitrogen. It could be concluded that only very long periods of absence of oxygen (ca. 180 s) results in lower specific oxygen uptake rates by Gluconobacter oxydans. From scale-down studies carried out in a two-compartment system to simulate a production-scale reactor more accurately, it could be concluded that not only the residence time in the aerated part of the system is important, but the liquid flow in between the different parts of the reactor is also an essential parameter. It could also be concluded that the microorganisms are not influenced negatively by the fluctuated oxygen concentrations with respect to their maximal oxidation capacity. The two-compartment system can also be used for optimization experiments in which the “aerated” compartment was gassed with pure oxygen. From these experiments it was concluded that also a short residence of the cells at high oxygen concentrations diminished the growth and product formation rates. These experiments show the necessity of the scale-down experiments if optimization is carried out. The two-compartment system presented in this study is a very attractive tool for reliable scale-down experiments.
    Additional Material: 9 Ill.
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    URL: http://dx.doi.org/10.1002/bit.260270521
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  • 165
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    On-line estimation of mycelial cell mass concentrations with a computer-interfaced filtration probe (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 729-742 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: This article deals with the design and operation of a filtration probe for estimating cell concentrations in fermentations involving mycelial organisms such as Penicillium chrysogenum. This device, a much improved version of one developed previously, is placed directly into the fermentor and measures the filtration properties of the fermentation broth, which are correlated to the cell concentration. The probe is connected to a computer system which enables on-line estimation of the cell concentration. Fiber-optic light guides are used in combination with a pair of light sources and receivers to detect the relative position of the filter-cake-fermentation-broth interface. The lower sensor in the filtration tube enables reliable estimation of cell mass upto about 20 g/L (dry wt), while the upper sensor yields useful measurement of the filtration properties upto a concentration of about 40 g/L (dry wt) and appears to have the potential to go even higher. Major advantages of this probe system are the ease of measurement and the on-line ability to measure very frequently, due to its nondestructive mode of operation. Thus, the probe obviates the need for manual sampling and reduces the risk of contaminating the culture. But, more significantly, it enables one to implement on-line schemes including feedback control.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270523
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  • 166
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    Improved performance with multiple fermentors for repeated batch cultivation for non-growth-associated products (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 743-755 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Based on batch cultivation data for the production of L-glutamic acid from glucose, a comparative evaluation was made for repeated batch cultivations using one and more fermentors. The problem was formulated as maximizing the productivity of metabolic product with the specified conversion with respect to the cell age and the volume fraction used as seed for the subsequent repeated batch cultivation. Simulations were carried out with the assumption of no lag in product formation for the cases where the total operation time was specified as 200 h with reproducible batch cultivation cycles. The product production was assumed to be solely a function of product concentration. The computation results show the advantage of using more than one fermentor from the viewpoints of productivity and conversion, which will apply in general to non-growth-associated product production with delay time. In particular, three fermentors are recommended for the production of L-glutamic acid chosen as an example in this article.
    Additional Material: 17 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270524
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  • 167
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    Continuous alcohol fermentation in an immobilized cell rotating disk reactor (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 761-768 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The increasing interest in alcohol fermentation over these last years because of the energy crisis has been demonstrated by an increase in scientific research. After a brief analysis of the main results of the literature in the field of alcohol fermentation reactors, the use of a new type of immobilized cell reactor [the rotating biological surface (RBS) reactor] was studied. As is well known, the RBS reactor is a form of fixed-film reactor and can be described as a dynamic trickling filter. Our experimental apparatus employed a spongy material to trap the yeast cells on the disks. The results of fermentations carried out in the RBS reactor working in batch, in continuous with cell support, and in continuous without cell support have been presented in order to compare the different productivities and to assess the performance of the RBS immobilized cell reactor. An ethanol productivity of 7.1 g/L h was achieved in the RBS-ICR at a dilution rate of 0.3 h-1, 2.5 times higher than the maximum productivity obtained in the RBS reactor without support at a lower dilution rate. The adoption of a spongy material as a cell immobilizer, combined with the use of the RBS reactor, enhances the particular advantages of both systems.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270602
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  • 168
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    Kinetics of chitinase production. I. Chitin hydrolysis (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 769-775 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: As part of the development of a comprehensive mathematical model for chitinase production by Serratia marcescens QMB 1466 growing on chitin, the different mass transport and kinetic steps involved during chitin hydrolysis were studied. The experimental results for the hydrolysis of chitin by a crude preparation of chitinase show a system kinetically limited by the overall rate of chitin hydrolysis. This rate is linearly related to the concentration of enzyme adsorbed on the chitin particle. Adsorbed and bulk enzyme concentration were found to be related through a Langmuir type of isotherm.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270603
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  • 169
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    Estimation of available efficiency of microbial growth on methanol and ethanol (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 792-799 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The balances of reductivity and high-energy bonds (HEB) during microbial growth on glucose (a standard substrate), methanol, and ethanol are reported. Also, numerical values for the quantities of HEB formation in the respiratory metabolism, HEB consumption in the constructive metabolism, as well as in a number of the other intracellular processes are evaluated. Estimations of maximum cell yields by mass and energy are made during growth on methanol and ethanol with regard to peculiar features of different microbe metabolism.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270607
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  • 170
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    Performance of an upflow anaerobic reactor combining a sludge blanket and a filter treating sugar waste (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 800-806 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A new hybrid reactor, the upflow blanket filter (UBF), which combined on open volume in the bottom two-thirds of the reactor for a sludge blanket and submerged plastic rings (Flexiring, Koch Inc., 235 m2/m3) in the upper one-third of the reactor volume, was studied. This UBF reactor was operated at 27°C at loading rates varying from 5 to 51 g chemical oxygen demand (COD)/L d with soluble sugar wastewater (2500 mg COD/L). Maximum removal rates of 34 g COD/L d and CH4 production rates of 7 vol/vol d [standard temperature and pressure (STP)] were obtained. The biomass activity was about 1.2 g COD/g volatile suspended solids per day. Conversion (based on effluent soluble COD) was over 93% with loading rates up to 26 g COD/L d. At higher loading rates conversion decreased rapidly. The packing was very efficient in retaining biomass.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270608
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  • 171
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    Optimization of the activity in porous media of proton-generating immobilized enzymatic reactions by weak acid facilitation (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 807-817 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: In addition to the role of maintaining the pH, buffers can also facilitate the transport of H+ ions in acid-generating systems. The role of this facilitation in proton transport in porous pellets on acid-generating immobilized enzymic reactions is examined. The activity in these systems can be maximized by a proper control of facilitation, which involves the determination of the appropriate variables out of (1) the concentration of the weak acid, (2) the pH of the medium, (3) the bulk substrate concentration, and (4) the type of weak acid. Since the intrinsic activity (IA) of the immobilized enzyme is such that it exhibits an optimum with respect to the pH, a partial (optimal) removal of diffusional limitation by facilitation maximizes the activity when the bulk pH is larger than this optimum pH. A complete removal of diffusional limitations, however, maximizes the activity when the bulk pH is less than or equal to the above optimum pH. The control of the diffusional resistance can be achieved by controlling the extent of facilitation, hence by adjusting the parameters mentioned above. Computations have been carried out to examine the effect of each of these parameters on the activity of the immobilized enzyme. It is found that when the bulk pH is less than or equal to the optimum pH of the intrinsic activity of the immobilized enzyme, there exists a lower limit on the amount of weak acid required to maximize the activity. However, an optimum amount of weak acid is required to maximize the activity when the bulk pH is higher than that optimum pH. For a given activity the amount of weak acid is minimal if the pK of the weak acid is close to the bulk pH. The effect of coupling between the proton and substrate transport on activity control is also examined and the effect of geometry on activity is evaluated for spherical, cylindrical, and flat-plate configurations.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270609
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  • 172
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    Kinetic characterization of the extracellular xylanases of Thermomonospora sp. (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 832-836 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: This study deals with characterizing the extracellular xylanases produced by a strain of the thermophilic bacterial genus Thermomonospora. Supernatant from centrifuged fermentation broth was used as a crude enzyme preparation. From pH 5.5 to pH 7.7 the temperature optimum based on a 10-min assay of activity was 80°C. The crude enzyme had a half-life of approximately 1 month when stored at 55°C at pH 6.5. The enzyme produced a mixture of xylose oligomers from xylan, with xylobiose occuring in greatest quantity on a molar basis. Only trace quantities of xylose were produced by this hydrolysis.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270612
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  • 173
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    Agitation and pressure effects on acetone-butanol fermentation (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 852-860 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Batch fermentations were run at varying agitation rates and were either pressurized to 1 bar (15.2 psig) or nonpressurized. Agitation and pressure both affect the level of dissolved hydrogen gas in the media, which in turn influences solvent production. In nonpressurized fermentations volumetric productivity of butanol increased as the agitation rate decreased. While agitation had no significant effect on butanol productivity under pressurized conditions, overall butanol productivity was increased over that obtained in the nonpressurized runs. Maximum butyric acid productivity, however, was found to occur earlier and increased as agitation increased. Peak hydrogen productivity occurred simultaneously with peak butyric acid productivity. The proporation of reducing equivalents used in forming the above products was determined using a redox balance based on the fermentation stoichiometry. An inverse relationship between the final concentrations of acetone and acetoin was found in all fermentations studied. The results show that agitation and pressure are important parameters for solvent productivity in acetone-butanol fermentation.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270615
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  • 174
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    Fundamental studies of glucose oxidase immobilization on controlled pore glass (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 842-851 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Immobilization experiments have been performed with glucose oxidase as enzyme and controlled-pore glass of different pore sizes as support for chemical coupling. The experimental results have been analyzed for comparison with the theoretical model predictions. Analysis of the initial stage of the process gives the fundamental characteristic of the immobilization reaction. These investigations allow us to study the influence of the degree of diffusional restriction on the evolution of the immobilization process and spatial distribution of immobilized enzyme. Nonuniformly distributed concentrations have been achieved within the porous matrix, and suggestions have been made in designing such profiles by choosing appropriate experimental parameters.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270614
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  • 175
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    A new technique for the production of immobilized biocatalyst in large quantities (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 870-876 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A new technique is presented for the production of immobilized biocatalysts in large quantities. It consists of breaking up a jet of the biocatalyst/presupport mixture in uniform droplets by means of a resonance technique. Entrapment of yeast and plant cells in calcium alginate has been used as the model. The production capacity of the nozzles used (0.5, 0.8, and 1.1 mm exit diameters) is two orders of magnitude larger than the production capacity of the conventional techniques (maximum capacity with a 1.1-mm nozzle diameter is 24 L/h). Depending on frequency, nozzle diameter, and volumetric flow rate, the bead size varies between 1 and 2 mm, with standard deviations of 3-5% for yeast immobilization and 10-15% for plant cells. The deactivation of both yeast and plant cells is small and comparable to that found in the corresponding conventional procedures.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270617
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  • 176
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    Release of intracellularly stored 5′-phosphodiesterase with preserved plant cell viability (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 890-892 
    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: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270621
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  • 177
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    Biogas production in batch and semicontinuous digesters using water hyacinth (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 905-908 
    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 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270625
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  • 178
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    Comparison between immobilized Kluyveromyces fragilis and Saccharomyces cerevisiae coimmobilized with β-galactosidase, with respect to continuous ethanol production from concentrated whey permeate (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 914-916 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Kluyveromyces fragilis immobilized in calcium alginate gel was compared to Saccharomyces cerevisiae coimmobilized with β-galactosidase, for continuous ethanol production from whey permeate in packed-bed-type columns. Four different whey concentrations were studied, equivalent to 4.5, 10, 15, and 20% lactose, respectively. In all cases the coimmobilized preparation produced more ethanol than K. fragilis. The study went on for more than 5 weeks. K. fragilis showed a decline in activity after 20 days, while the coimmobilized preparation was stableduring the entrire investigation. Under experimental conditions theoretical yields of ethanol were obtained from 4.5 and 10% lactose substrates with the coimmobilized system. Using 15% lactose substrate, theoretical yields were only obtained when a galactose-adapted immobilized S. cerevisiae column was run in series with the coimmobilized column. Then a maximum of 71 g/L ethanol was produced with a productivity of 2.5 g/L h. The coimmobilized column alone gave a maximum ethanol concentration of 52 g/L with a productivity of 4.5 g/L h, whereas immobolized K. fragilis only produced 13 g/L ethanol with a productivity of 1.1 g/L h. It was not possible to obtain theoretical yields of ethanol from the highest substrate concentration.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270627
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  • 179
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    Reaction kinetics of cephalexin synthesizing enzyme from Xanthomonas citri (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 953-960 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: In enzymatic synthesis of cephalexin from D-α-phenylglycine methyl ester (PGM) and 7-amino-3-deacetoxy-cephalosporanic acid (7-ADCA) using α-acylamino-β-lactam acylhydrolase from Xanthomonas citri, it was found that this enzyme catalyzes all three reactions including PGM hydrolysis, cephalexin synthesis, and cephalexin hydrolysis. Based on our experimental results, a mechanistic kinetic model for cephalexin synthesizing enzyme system having acyl-enzyme intermediate was proposed. From this kinetic model, the reaction rate equations for three reactions were derived, and the kinetic parameters were evaluated. A good agreement between the simulation results and the experimental results was found.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270705
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  • 180
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    The β-xylosidase of Thermomonospora (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 909-913 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: This study is concerned with characterizing cell-bound inducible β-xylosidase produced by a strain of the thermophilic bacterial genus Thermomonospora. A crude preparation of this enzyme recovered from sonicated cells of this organism displayed high activity against paranitrophenyl-β-xylopyranoside over a pH range of 5.5-7.7. The temperature optimum, based on a 30-min assay of activity, at pH 6.5 was 70°C. The crude enzyme had a thermal half-life of approximately 1 week at 55°C and pH 6.5. Xylose inhibited the enzyme. Values of Km and Vmax are estimated from the reaction rate data as 0.82 mM and 8 U/L, respectively.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270626
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  • 181
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    Masthead (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985) 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270701
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  • 182
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    Liquid level control in an aerated continous-flow fermentor (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 917-920 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: An electronic liquid level control system was developed to maintain constant working volume in a continuously fed and aerated fermentor from which spent medium was continously withdrawn by microfiltration in an external recycle loop. The level control system was comprised of an admittance sensor in the fermentor and an external transmitter and controller, which together regulated the speed of a recycle pump and thus the rate of liquid withdrawal from the fermentor. During test bacterial culture the liquid level was maintained usually within ± 1% and always within ± 5%. The control system could be applied to various other types and scales of continuous-flow fermentors.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270628
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  • 183
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    Mathematical simulation of a biofilm process (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 921-931 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A mathematical model has been developed for a fixed-film biological process (film flow over a flat plate) that describes bulk liquid transport, diffusional transport of oxygen and organics across a stagnant film, diffusional transport of oxygen and organics into the biofilm, biochemical reactions by the individual cells within the biofilm, biofilm growth, and cell density changes within the biofilm due to cellular decay. Simulation studies are presented to show how contact time and diffusion layer thickness affect process performance.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270702
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  • 184
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    A direct fuel cell for the production of electricity from lignin (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 972-979 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: This report describes the use of an anthraquinone mediated fuel cell for the direct production of electrical energy from sulfonated lignin and Kraft Black Liquor. The cell produces the equivalent of 1 kWh for each 2-3 lb sulfonated lignin and 5-8 lb black liquor combustibles. In the case of the sulfonated lignin, chain session occurs during the oxidation process, reducing the molecular weight from ca. 2 × 104 to less than 1000 D.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270707
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  • 185
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    Mathematical modelling of growth and substrate conversion of Zymomonas mobilis at 30 and 35°C (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 984-995 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Zymomonas mobilis was grown in continuous cultures at 30 and 35°C. The specific substrate consumption rates at 35°C were higher than those at 30°C. An unstructured mathematical model based on the linear equation for substrate consumption provided a statistically adequate description for cultures grown at 35°C but not for cultures grown at 30°C. A structured two-compartment model described growth and substrate consumption well at both temperatures. Some theoretical and practical aspects of the two-compartment model are discussed.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270709
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  • 186
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    Microcalorimetric study of cellulose degradation by Cellulomonas uda ATCC 21399 (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 1005-1011 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A newly designed batch calorimeter was used to investigate the degradability of some celluloses having varying degrees of crystallinity. The PTC of an aerobic culture of Cellulomonas uda ATCC 21399 obtained revealed a diauxic growth which is attributed to the presence of hemicellulose contaminating Avicel and MN300 cellulose. The microcrystalline celluloses used were not completely utilized, whereas amorphous cellulose was easily metabolized, indicating that under the growth conditions used here, the physical structure of cellulose strongly influenced its microbial degradability. An equivalent growth yield of ca. 0.44 g/g was found with all the substrates used. The heat evolved by metabolism of 1 g cellulose was -5.86 kJ/g, a value similar to that obtained with glucose culture. The growth rate was the only variable parameter. The data obtained showed as expected that the hydrolysis product of cellulose was consumed in the same way as that of glucose and that the only limiting factor to the biodegradability of cellulose was the breakdown of the polymeric substrate. It is concluded that data obtained with glucose metabolism can be used to evaluate the extent of cellulose degradation.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270711
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  • 187
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    Shear stress effects on human embryonic kidney cells in Vitro (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 1021-1026 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Human embryonic kidney cells grown as an attached, confluent monolayer on a flat substrate were subjected to steady, uniform laminar flow of medium in a specially designed chamber in which flow patterns and shear stress are accurately defined and controlled. Experiments were performed for shear stress levels ranging from 0.2 to 6.0 N/m2 with times of exposure to the shear stress ranging from 2 to 24 h. The influence of the shear field was slight at low shear stress (0.26 N/m2). Higher stress levels (0.65 N/m2 and higher) had significant effects on cell morphology, and on the post-shear release of urokinase enzyme. Still higher stress levels (2.6 N/m2 and higher) caused marked reduction in cell viability. These results may be of interest in addressing practical problems in developing commercial biosynthesis reactors.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270713
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  • 188
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    Simulation of the growth pattern of a single cell of Escherichia coli under anaerobic conditions (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 1027-1035 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A computer model based on a previous model for aerobic growth of Escherichia coli is described which simulates cell composition, size, and shape; length of C and D periods; cell yields; and the rate of product formation of anaerobically grown cells of E. coli B/r-A on glucose-limited minimal medium. To verify the simulation results, the values of cell volume, cell content of DNA, RNA, and protein, substrate yield, ATP yield, and fermentation products for various growth rates were obtained experimentally. Model predictions are in good agreement with experimental results. Such agreement supports a hypothesis that only those equations describing energy metabolism need to be modified and other cell functions are not grossly altered by a switch from aerobic to an aerobic growth. The model's ability to predict reasonable growth responses under anaerobic conditions by only modifying energy metabolism is a further indication of the robust nature of the description of cell physiology included in the development of the aerobic model.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270714
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  • 189
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    Analysis of cellulose-cellulase adsorption data: A fundamental approach (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 1056-1059 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270718
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  • 190
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    A continuous method for monitoring and controlling fermentations: Using an automated HPLC system (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 1060-1062 
    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.260270719
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  • 191
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    Stimulation of commercial algal biomass production by the use of geothermal water for temperature control (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 1063-1066 
    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: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270720
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  • 192
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    Enzymatic hydrolysis of cellulose in aqueous two-phase systems. II. Semicontinuous conversion of a model substrate, solka floc BW 200 (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 1044-1050 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A model substrate, Solka Floc BW 200, was semicontinuously hydrolyzed in an aqueous two-phase system based on crude dextran and polyethylene glycol over a period of more than 450 h. With an initial concentration of 75 g/L and intermittent addition of cellulose an average concentration of 50 g/L sugar was semicontinuously produced at dilution rates of 0.006-0.012 h-1. The conversion of substrate varied between 49 and 66%. The enzyme consumption measured as FPU/g reducing sugar (RS) produced could be reduced by a factor two when compared to a batch process since, in the aqueous two phase system investigated, the enzyme could be recycled two times.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270716
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  • 193
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    Simulation of CFSTR through development of a mathematical model for anaerobic growth of Escherichia coli cell population (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 1051-1055 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A computer model is described that simulates a population of Escherichia coli B/r-A cells growing under anaerobic conditions. This population model is an ensemble of single-cell models. The ability of the model of predict the dynamic response of a cell population in a CFSTR to a change in feed flowrates or concentrations was investigated. With glucose as the limiting nutrient the feed concentration of glucose was shifted from 1.0 to 1.88 g/L. With a fixed concentration of glucose (1.0 g/L) step changes in residence time (4.1-1.95 h) were examined. The predicted changes of cell size distribution, substrate concentration, RNA content, and cell dry weight during the transition period compared reasonably well to those observed experiementally. We believe this model is the only model currently available that can make such predictions on an a priori basis.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270717
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  • 194
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    Electronic Resource
    Improved rate of fumaric acid production by tweens® and vegetable oils in rhizopus arrhizus (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 1067-1069 
    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 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270721
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  • 195
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    Electronic Resource
    Separation of ethanol from ethanol - water mixture by reverse osmosis (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 1081-1084 
    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: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270725
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  • 196
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    Electronic Resource
    Enzyme reactor with knitted fabric made of poly(vinyl alcohol) superfine filaments (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 1077-1080 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Various supports and bio-reactors have been proposed. Packed bed reactors with polymer material in granular shape are most often employed in both laboratory and industry. But they have a disadvantage related to an increase in pressure drop. We already developed filter paper composed of short cut pieces of superfine filaments (SFF). It shows high performance, but its hydrodynamic resistance increases when substrate solution passes through it. A new type of enzyme reactor equipped with knitted SFF has been proposed. In this reactor, substrate does not pass through the support but flows along the thin channel and parallel to the support. Therefore, it is able to maintain flow rate constant during a considerable period. The productivity of the reactor fairly increases by reducing the thickness of the channel because linear velocity increases with the reduction of the thickness and that contributes to the decrease in mass transfer resistance.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270724
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  • 197
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    Masthead (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985) 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270801
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  • 198
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    Electronic Resource
    Effects of aromatic compounds on hemicellulose-degrading enzymes in Aspergillus japonicus (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 1095-1101 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Aspergillus japonicus was grown in the presence of various aromatic compounds at 0.1 and 1 mg/mL, and extracellular xylanase and arabanase activities were measured. Some of the aromatic compounds tested, especially at the higher concentration, suppressed the appearance of hemicellulase activities, expressed as xylanase or arabanase. Vanillin at 1 mg/mL in the presence of either xylan or araban completely suppressed growth, and guaiacol and p-coumaric acid markedly inhibited the growth of A. japonicus. The effects of the aromatic compounds on the activity of crude enzyme preparations were also ascertained. In vitro arabanase activity was affected more than xylanase activity.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270802
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  • 199
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    Electronic Resource
    A kinetic study of Saccharomyces strains: Performance at high sugar concentrations (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 1108-1114 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Alcoholic fermentation represents a significant example of production of compounds utilizable as alternative energy sources. High ethanol concentration in the fermented wort is needed in order to reduce the energy consumption in the process of alcohol recovery. A particular Saccharomyces strain, of the oviformis species, obtained from fermented worts exhibiting high ethanol concentrations is studied and compared with a common S. cerevisiae strain in order to show its skill in fermenting very concentrated sugar solutions with an energy saving of ca. 10%.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270804
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  • 200
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    Electronic Resource
    Modeling of enzyme immobilization in porous membranes (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Biotechnology and Bioengineering 27 (1985), S. 1126-1135 
    Details
    ISSN: 0006-3592
    Keywords: Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: This article deals with the mathematical modeling of the process of enzyme immobilization in porous membranes. During the initial period, an analytical solution is available to extract the rate constant for immobilization. Beyond this period, the model equations are solved numerically to yield the transient response of the enzyme concentration in the immobilizing solution and also the evolution of the enzyme loading profile inside the membrane. It is found that the immobilization practically ceases even through the attachment sites are still available within the membrane.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bit.260270807
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