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  • 1
    Electronic Resource
    Electronic Resource
    Effect of heat processing and storage on pesticide residues in spinach and apricots (1972)
    s.l. : American Chemical Society
    Journal of agricultural and food chemistry 20 (1972), S. 286-291 
    Details
    ISSN: 1520-5118
    Source: ACS Legacy Archives
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/jf60180a015
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  • 2
    Electronic Resource
    Electronic Resource
    PARAMETER ESTIMATION OF THE NONLINEAR MUSKINGUM MODEL USING HARMONY SEARCH (2001)
    Oxford, UK : Blackwell Publishing Ltd
    Journal of the American Water Resources Association 37 (2001), S. 0 
    Details
    ISSN: 1752-1688
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Architecture, Civil Engineering, Surveying , Geography
    Notes: : A newly developed heuristic algorithm, Harmony Search, is applied to the parameter estimation problem of the nonlinear Muskingum model. Harmony Search found better values of parameters in the nonlinear Muskingum model than five other methods including another heuristic method, genetic algorithm, in terms of SSQ (the sum of the square of the deviations between the observed and routed outflows), SAD (the sum of the absolute value of the deviations between the observed and routed outflows), DPO (deviations of peak of routed and actual flows), and DPOT (deviations of peak time of routed and actual outflow). Harmony Search also has the advantage that it does not require the process of assuming the initial values of design parameters. The sensitivity analysis of Harmony Memory Considering Rate showed that relatively large values of Harmony Memory Considering Rate makes the Harmony Search converge to a better solution.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1752-1688.2001.tb03627.x
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  • 3
    Electronic Resource
    Electronic Resource
    Local chain dynamics of bulk amorphous polybutadienes: A molecular dynamics study (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 101 (1994), S. 6242-6254 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The local motions of bulk amorphous polybutadienes (PBDs) have been studied by a molecular dynamics simulation. Fully atomistic models of PBDs have been obtained at a realistic bulk density under periodic boundary conditions. Local chain motions are examined for poly(cis-1,4-butadiene) (cis-PBD) and poly(trans-1,4-butadiene) (trans-PBD) well above the glass transition temperature, where the only structural difference is imposed by the different conformational states at the double bond. The local motions are found to be strikingly different in the two polymers. Intramolecular cooperative conformational transitions occur at second-neighbor bond pairs of CH–CH2 in both PBDs. In trans-PBD, both CH2–CH2 and CH=CH triplets undergo cooperative counterrotations. In cis-PBD, CH2–CH2 triplets undergo counterrotations while CH=CH triplets undergo corotations. Intermolecular cooperativity, probed by the local free volume, has little influence on local relaxation processes. The effect of libration on the shape of autocorrelation functions (ACFs) is significant over the entire time range. A universality is found in the time evolution of the Kohlrausch–Williams–Watts exponent regardless of the type and order of the ACF. On the other hand, the single exponential decay regarded as common at short times is only due to the discreteness of conformational states.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.468502
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  • 4
    Electronic Resource
    Electronic Resource
    A dynamic rotational isomeric state approach for extension of the time scale of the local dynamics observed in fully atomistic molecular dynamics simulations: Application to polybutadiene (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 104 (1996), S. 4828-4834 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The dynamic rotational isomeric state (DRIS) formalism has been utilized to predict the local dynamics of amorphous cis- and trans-polybutadiene at bulk density from short-time molecular dynamics (MD) simulations at 425 K. The rates for transitions between rotational isomeric states have been calculated from the initial slopes of time-delayed transition (conditional) probability curves extracted from the MD simulation. First- (independent), second- (pairwise dependent), and third- (triplewise dependent) order conformational transitions have been incorporated into the DRIS formalism. Conformational and orientational correlation functions have been evaluated. The comparison of DRIS results with MD simulations indicates that this approach may be advantageously used to predict the time evolution of bond isomeric states and the contribution of transitions between these states to conformational correlation functions. The first-order conformational kinetics is the major factor controlling the relaxation in the latter. Cross-correlation functions are not reproduced as well, because they are dominated by torsional librations within rotational isomeric states, and such librations are not incorporated in the DRIS analysis. The prediction of anisotropic character of the segmental motions is also satisfactory to an important extent, but it still awaits some more consideration in the choice of the size of the kinetic segment, along with the accurate input of cooperative motions arising from both intra- and intermolecular interactions in a MD simulation. Information which would otherwise be extracted from the statistical analysis of very long trajectories of MD simulations may become readily obtainable from DRIS. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.471177
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  • 5
    Electronic Resource
    Electronic Resource
    Atomistic models of amorphous polybutadienes. 2. Poly(1,4-trans-butadiene), poly(1,2-butadiene), and a random copolymer of 1,4-trans-butadiene, 1,4-cis-butadiene, and 1,2-butadiene (1993)
    s.l. : American Chemical Society
    Macromolecules 26 (1993), S. 3424-3431 
    Details
    ISSN: 1520-5835
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ma00065a028
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  • 6
    Electronic Resource
    Electronic Resource
    Radial aspect of local dynamics in polybutadiene melts as studied by molecular dynamics simulation: To hop or not to hop (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2389-2396 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The radial local dynamics in poly(1,4-trans-butadiene) melts is studied using molecular dynamics simulations. In this work, the hopping peak is observed in the Van Hove space-time correlation function Gs(r,t) for the first time in polymeric systems. The hopping motion, observed only for methine hydrogen, is also identified in the mean-square displacement 〈Δr2(t)〉 and the intermediate scattering function Fs(k,t) through the relative dynamics of the hopping methine hydrogen and the nonhopping methylene hydrogen. The hopping motion is found to cause an unusual broadening of the dispersion width in the dynamic structure factor Sinc(k,ω). Active free volume is proposed in terms of Gs(r,t) at a short time, which offers a consistency to the relationship between free volume and local dynamics. Fast counterrotation at a pair of CH(Single Bond)CH2 bonds across a CH(Double Bond)CH bond is found responsible for the hopping peak in this polymer, and a new hopping criterion modified for polymeric liquids is proposed. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1489897
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  • 7
    Electronic Resource
    Electronic Resource
    Streptomyces linear plasmids that contain a phage-like, centrally located, replication origin (1996)
    Oxford BSL : Blackwell Science Ltd
    Molecular microbiology 22 (1996), S. 0 
    Details
    ISSN: 1365-2958
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Biology , Medicine
    Notes: Unlike previously studied linear replicons containing 5′ DNA termini covalently bound to protein, pSLA2, a 17 kb linear plasmid of Streptomyces rochei, initiates replication internally rather than at the telomeres (Chang and Cohen, 1994). Here we identify and characterize the replication origin of pSLA2, showing that it contains a series of direct repeats (iterons) within a centrally located gene encoding an essential DNA-binding protein (Rep1); a second essential protein (Rep2), which resembles prokaryotic DNA helicases and has ATPase activity stimulated by single-stranded DNA, is expressed from the same transcript. A 430 bp locus separated by almost 2 kb from the iterons of the origin specifies an as yet undefined additional function required in cis for plasmid replication. pSCL, a 12 kb linear plasmid of Streptomyces clavuligerus, contains, near the centre of the plasmid, a region configured like the pSLA2 origin. The replication regions of pSLA2 and pSCL, which are capable of propagating plasmid DNA in either a circular or linear form (Shiffman and Cohen, 1992; Chang and Cohen, 1994) resemble those of temperate bacteriophages of the Enterobacteriacae and Bacillus. Our observations suggest that Streptomyces linear plasmids may occupy an evolutionarily intermediate position between circular plasmids and linear phage replicons.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1046/j.1365-2958.1996.01526.x
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  • 8
    Electronic Resource
    Electronic Resource
    Relationship between the Bond Valence and the Temperature Coefficient of the Resonant Frequency in the Complex Perovskite (Pb1−xCax)[Fe0.5(Nb1−yTay)0.5]O3 (2001)
    Westerville, Ohio : American Ceramics Society
    Journal of the American Ceramic Society 84 (2001), S. 0 
    Details
    ISSN: 1551-2916
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The temperature coefficient of the resonant frequency (TCF) of complex perovskite (Pb1−xCax)[Fe0.5(Nb1−yTay)0.5]O3 ceramics (x= 0.5, 0.55; 0.0 ≤y≤ 1.0) was investigated, relative to the bond valence of the A- and B-site ions in the ABO3 perovskite structure (such as the barium-, strontium-, and calcium-based complex perovskites). The TCF of these complex perovskite compounds varied with the bond valence of the A- and B-sites and the tolerance factor (t) in the perovskite structure. In the tilted region (t 〈 1.0), the tilting of the oxygen octahedra increased and the TCF decreased, because of the increased bond valence of the B-site. Also, the dependence of TCF on the bond valence of the A-site was similar to its dependence on t.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1151-2916.2001.tb00614.x
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  • 9
    Electronic Resource
    Electronic Resource
    Microwave Dielectric Properties and Far-Infrared Reflectivity Characteristics of the CaTiO3–Li(1/2)−3xSm(1/2)+xTiO3Ceramics (2000)
    Westerville, Ohio : American Ceramics Society
    Journal of the American Ceramic Society 83 (2000), S. 0 
    Details
    ISSN: 1551-2916
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Microwave dielectric properties and far-infrared reflectivity spectra of the 0.3CaTiO3–0.7Li(1/2)−3xSm(1/2)+xTiO3 ceramics were investigated as a function of Sm3+ substitution (0.0 ≤x≤ 0.12). The dielectric constant decreased as the Sm3+ substitution increased. The Q×fvalue increased, up to a solid-solution limit at x= 0.11, because of the change of vibration modes between the A-site cation and the TiO6 octahedron, and then decreased because of the formation of a secondary phase (Sm2Ti2O7). On the analysis of the far-infrared reflectivity spectra, in the 50–4000 cm−1 range, the change of the dielectric loss and dielectric constant could be explained by the intrinsic factor.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1151-2916.2000.tb01557.x
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  • 10
    Electronic Resource
    Electronic Resource
    Microwave Dielectric Properties of (1−x)(Na1/2Nd1/2)TiO3−xLa(Mg1/2Ti1/2)O3 via Ordering and Far IR Reflectivity Spectra (2005)
    Oxford, UK : Blackwell Science Inc
    Journal of the American Ceramic Society 88 (2005), S. 0 
    Details
    ISSN: 1551-2916
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Microwave dielectric properties of (1−x)(Na1/2Nd1/2)TiO3(NNT)−xLa(Mg1/2Ti1/2)O3(LMT) system have been investigated with focus on structural ordering and far IR reflectivity spectra. A single perovskite phase was found to exist with various superlattice reflections over the entire compositional range. 1:1 ordering observed in the (111) reflection of X-ray diffraction patterns was found to progress significantly in the specimens above x=0.8. The ordering characteristics that presumably related to B-site Mg/Ti ordering were assumed to affect favorably the quality factor at microwave frequencies. The increase of the quality factor also could be explained in terms of the decrease of lattice anharmonicity with LMT by analysis of far IR reflectivity spectra. As expected from the values of pure NNT and LMT, the dielectric constant and the temperature coefficient of frequency tended to gradually decrease with increasing LMT content.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1551-2916.2005.00113.x
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