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  • Springer  (126)
  • Wiley-Blackwell
  • American Institute of Physics (AIP)
  • 2000-2004  (147)
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  • 1
    Electronic Resource
    Electronic Resource
    Metal substitution in transferrins: specific binding of cerium(IV) revealed by the crystal structure of cerium-substituted human lactoferrin (2000)
    Springer
    JBIC 5 (2000), S. 692-698 
    Details
    ISSN: 1432-1327
    Keywords: Metal substitution Cerium binding Lactoferrin Crystal structure Transferrin
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Abstract. Proteins of the transferrin family play a key role in iron homeostasis through their extremely strong binding of iron, as Fe3+. They are nevertheless able to bind a surprisingly wide variety of other metal ions. To investigate how metal ions of different size, charge and coordination characteristics are accommodated, we have determined the crystal structure of human lactoferrin (Lf) complexed with Ce4+. The structure, refined at 2.2 Å resolution (R=20.2%, R free=25.7%) shows that the two Ce4+ ions occupy essentially the same positions as do Fe3+, and that the overall protein structure is unchanged; the same closed structure is formed for Ce2Lf as for Fe2Lf. The larger metal ion is accommodated by small shifts in the protein ligands, made possible by the presence of water molecules adjacent to each binding site. The two Ce4+ sites are equally occupied, indicating that the known difference in the pH-dependent release of Ce4+ arises from a specific protonation event, possibly of the His ligand in one of the binding sites. Comparing the effects of binding Ce4+ with those for the binding of other metal ions, we conclude that the ability of transferrins to accommodate metal ions other than Fe3+ depends on an interplay of charge, size, coordination and geometrical preferences of the bound metal ion. However, it is the ability to accept the six-coordinate, approximately octahedral, site provided by the protein that is of greatest importance.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s007750000157
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  • 2
    Electronic Resource
    Electronic Resource
    Technical Opportunities for International Collaborations by the U.S. Fusion Program (2000)
    Springer
    Journal of fusion energy 19 (2000), S. 65-79 
    Details
    ISSN: 1572-9591
    Keywords: Fusion energy ; international collaboration
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract This report was prepared by a Working Group at the request of the U.S. Department of Energy, Office of Fusion Energy Sciences in 1997. The report addresses technical opportunities for mutually beneficial collaboration between the United States and other international fusion research programs. A number of outstanding opportunities are discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1012281826821
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  • 3
    Electronic Resource
    Electronic Resource
    Geometry optimization of large biomolecules in redundant internal coordinates (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 6566-6572 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present an improved version of our recent algorithm [B. Paizs, G. Fogarasi, and P. Pulay, J. Chem. Phys. 109, 6571 (1998)] for optimizing the geometries of large molecules. The approximate Cholesky factorization technique has been generalized to the case of redundant coordinates, and an alternative approach involving use of the B†B matrix in the iterative coordinate back transformation is described. The generalized full Cholesky factors of B†B are very sparse and the corresponding force and geometry transformations are fast and numerically stable, permitting us to apply this technique for internal coordinate geometry optimization of molecules containing thousands of atoms. As an example we present optimization data on alpha-helical alanine polypeptides, and various globular proteins. Results for the alanine polypeptides indicates that internal coordinate optimization is clearly superior to the first-order Cartesian optimization techniques generally used in force field calculations. The largest system investigated is alpha-helical Ac-(Ala)999-NH2 containing 9999 atoms, which was successfully optimized using less than a megaword of memory. Optimization of various globular proteins shows that our procedure can easily deal with highly redundant (including full primitive) coordinate sets. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1308551
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  • 4
    Electronic Resource
    Electronic Resource
    The construction of a gas aggregation source for the preparation of size-selected nanoscale transition metal clusters (2000)
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 71 (2000), S. 3178-3183 
    Details
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: The design and operation of a gas aggregation source is described. The source combines the attributes of high-temperature operation (enabling preparation of transition metal clusters), mass selection, ultrahigh vacuum compatibility, and transportability. This makes it ideally suited to in situ studies such as scanning tunneling microscope or synchrotron radiation experiments. Data are presented to illustrate the performance of the source; recent results obtained in synchrotron radiation studies are highlighted. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1304868
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  • 5
    Electronic Resource
    Electronic Resource
    The "Compact Toroid Injection Experiment" tomographic imaging system (2000)
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 71 (2000), S. 4119-4126 
    Details
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: The design, construction and operation of a tomographic imaging system on the Compact Toroid Injection Experiment is described. The system measures the total radiated power over energies from visible light up into the extreme ultraviolet. It then reconstructs two dimensional profiles from the data. The reconstruction routine is based on a method known as second order regularization which finds a compromise between smoothness and fit to the data. This method was found to have the best overall fidelity to test images. The hardware and overall reconstruction were calibrated using two different sources. First results from the system under real experimental conditions are presented. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1318920
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  • 6
    Electronic Resource
    Electronic Resource
    Method for repairing Mo/Si multilayer thin film phase defects in reticles for extreme ultraviolet lithography (2002)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 81-89 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The development of a nearly defect-free reticle blank is an important challenge facing extreme ultraviolet lithography (EUVL). The core element of an EUVL reticle blank is the reflective Mo/Si multilayer film, and deposition of Mo/Si on very small substrate defects can result in critical Mo/Si phase defects. In this article we present a method for repairing Mo/Si multilayer film phase defects in EUVL reticle blanks. An electron beam is used to deposit energy in the immediate vicinity of the defect, producing a small local contraction of the layer thicknesses due to silicide formation at the Mo/Si interfaces. We show in simulations that this contraction can significantly reduce the original structural deformation. We also present experimental results showing that it is possible to use an electron beam to controllably produce depressions in Mo/Si with nanometer-scale depths, and that this can be achieved without significantly impairing the reflective properties of the Mo/Si multilayer films. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1419265
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  • 7
    Electronic Resource
    Electronic Resource
    Magnetic behavior of nanostructured Fe films measured by magnetic dichroism (2000)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 88 (2000), S. 3414-3417 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The magnetic properties of Fe nanostructured films have been studied using magnetic linear and circular dichroism in x-ray photoemission spectroscopy. The samples were prepared by the deposition of nanoscale Fe clusters, size 1–4 nm, onto thin Cu films. The linear dichroism, which is used to measure the in-plane magnetization, increases with increasing film thickness, with a sharp increase between 1 and 1.5 ML coverage. The circular dichroism, which measures the out-of-plane magnetization, is zero within the experimental error at all thicknesses studied. Capping an Fe film with an ultrathin Pd layer results in a factor of 3 decrease of the linear dichroism response. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1288230
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  • 8
    Electronic Resource
    Electronic Resource
    Assessment of the Handy–Cohen optimized exchange density functional for organic reactions (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 1441-1449 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We have investigated the performance of the new optimized exchange functional (OPTX) developed by Handy and Cohen [Mol. Phys. 99, 403 (2001)] for predicting geometries, heats of reaction, and barrier heights for twelve organic reactions (six closed-shell and six radical). OPTX has been used in conjunction with, among others, the well-known Lee–Yang–Parr (LYP) correlational functional to form two new functionals, OLYP and O3LYP. These are similar to the well-established BLYP and B3LYP functionals, respectively, with OPTX replacing the standard Becke exchange functional, B88. Our results strongly support claims made by their developers that OLYP is superior to BLYP, and essentially renders it obsolete. The computed OLYP heats of reaction, barrier heights, and even molecular geometries (with larger basis sets), are comparable with, if not better than, the corresponding B3LYP values. The O3LYP functional is overall better than B3LYP, albeit not by much. Both OLYP and O3LYP are among the best functionals currently available; the performance of OLYP in particular is noteworthy given that this functional includes no exact exchange. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1485723
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  • 9
    Electronic Resource
    Electronic Resource
    Electric field induced instabilities at liquid/liquid interfaces (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 2377-2381 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: External electric fields were used to amplify thermal fluctuations at the interface between two thin liquid films. Similar to the results shown previously for the enhancement of fluctuations at the polymer/air interface, interfacial fluctuations having a well-defined wavelength were enhanced with a characteristic growth rate. A simple theoretical framework to describe the experimental observations is presented. Both experiment and model calculation show a substantial reduction in feature size as a result of the change in surface/interfacial energy when going from the thin film to the bilayer case. Experimentally, features develop nearly 50 times faster for the bilayers in comparison to the polymer/air case. These results point to a simple route by which the nanoscopic feature can be easily and rapidly produced or replicated. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1338125
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  • 10
    Electronic Resource
    Electronic Resource
    Progress toward long-pulse high-performance Advanced Tokamak discharges on the DIII-D tokamak : The 42nd annual meeting of the division of plasma physics of the American Physical Society and the 10th international congress on plasma physics (2001)
    [S.l.] : American Institute of Physics (AIP)
    Physics of Plasmas 8 (2001), S. 2208-2216 
    Details
    ISSN: 1089-7674
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Significant progress has been made in obtaining high-performance discharges for many energy confinement times in the DIII-D tokamak [J. L. Luxon et al., Plasma Physics and Controlled Fusion Research (International Atomic Energy Agency, Vienna, 1987), Vol. I, p. 159]. Normalized performance (measured by the product of βNH89 and indicative of the proximity to both conventional β limits and energy confinement quality, respectively) ∼10 has been sustained for 〉5 τE with qmin〉1.5. These edge localized modes (ELMing) H-mode discharges have β∼5%, which is limited by the onset of resistive wall modes slightly above the ideal no-wall n=1 limit, with approximately 75% of the current driven noninductively. The remaining Ohmic current is localized near the half-radius. The DIII-D electron cyclotron heating system is being upgraded to replace this inductively driven current with localized electron cyclotron current drive (ECCD). Density control, which is required for effective ECCD, has been successfully demonstrated in long-pulse high-performance ELMing H-mode discharges with βNH89∼7 for up to 6.3 s. In plasma shapes compatible with good density control in the present divertor configuration, the achieved βN is somewhat less than that in the high βNH89=10 discharges. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1355980
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