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  • Articles  (27)
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  • Springer  (27)
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  • Elsevier
  • Nature America Inc.
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  • 2000-2004
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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Journal of applied electrochemistry 29 (1999), S. 51-57 
    ISSN: 1572-8838
    Keywords: codeposition Ni ; Mn ; S ; X-ray analysis ; structure ; texture ; properties
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Electrical Engineering, Measurement and Control Technology
    Notes: Abstract Microstructural parameters such as coherent domain size, microstrain, dislocation density and texture of electrolytically plated Ni–Mn–S layers were investigated by X-ray analysis. Structural parameters, layer composition and the macroproperties are discussed and explained. With the help of a statistical regression analysis the correlation coefficient r2 and its relationship with the investigated parameters is determined. It is shown that the microstructural parameters play an important role in determining the macroscopic properties. The manganese concentration is shown to influence the structural parameters, but no influence of sulphur is found. It seems that a relationship of the structural parameters with the macroscopic properties is valid in general and is not a special case. There structural correlations can be used in general for processing electrolytic deposits for required applications.
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Journal of applied electrochemistry 29 (1999), S. 1045-1051 
    ISSN: 1572-8838
    Keywords: electrodeposition ; structure ; thermal stability ; zinc–nickel
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Electrical Engineering, Measurement and Control Technology
    Notes: Abstract ZnNi alloys were electrodeposited from a chloride bath on steel substrates. The effect of nickel bath concentration on chemical composition, structure and microstructure of the deposits is demonstrated. From 0 to 13 nickel, the phases obtained do not correspond to that reported on the thermodynamic phase diagram. It is shown that the substitution of zinc by nickel is responsible for the formation of distorted ηd and γd phases corresponding to the supersaturated hexagonal η phase of zinc and to the unsaturated cubic γ phase of Zn–Ni alloy, respectively. Differential scanning calorimetry indicates that the thermal instability of the alloys containing up to 13 wt of nickel, results from the crystallization of the δ phase from the ηd and γd phases at around 200 °C and 250 °C, respectively.
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Journal of applied electrochemistry 29 (1999), S. 1085-1094 
    ISSN: 1572-8838
    Keywords: dealloying ; focussed ion beam ; selective dissolution ; skeletal catalysts ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Electrical Engineering, Measurement and Control Technology
    Notes: Abstract Raney® copper is an active hydrogenation catalyst formed by the selective dissolution of aluminium from a Cu–Al alloy. The structure of Raney® copper is presented in a series of images taken using a focussed ion beam miller (FIB). The images show a structure consisting of a uniform three-dimensional network of fine copper ligaments. A rotating disc electrode, used to control the diffusion layer, enabled a study of the kinetics of the leaching reaction at 269–303 K in 2–8 m NaOH. Under these conditions, the reaction rate was constant and independent of hydroxide concentration. The activation energy for leaching was determined as 69±7 kJ mol−1. The mixed corrosion potential of the dissolving alloy has been related to the exposed copper surface area, which in turn is dependent on the leaching rate and the mechanism of rearrangement. The overall mechanism of formation/rearrangement of the Raney® copper structure was found to be mainly dissolution/redeposition of copper atoms, with surface or volume diffusion, or possibly both, playing a minor role.
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  • 4
    ISSN: 1572-8870
    Keywords: Coordination polymer ; cyanide-bridged bimetallic assemblies ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A complex with the formula [CuL(H2O)2]{[CuL][Fe(CN)6]}2·2H2O, where L=3,10-bis(2-hydroxyethyl)-1,3,5,8,10,12-hexaazacyclotetradecane, has been synthesized and crystallographically characterized. The structure is composed of a one-dimensional zigzag chain of $$\left\{ {[{\text{CuL}}][{\text{Fe(CN)}}_{\text{6}} ]} \right\}_2^{2 - } $$ units, and [CuL(H2O)2]2+ units. The one-dimensional zigzag chain extents through $${\text{Cu}}{\kern 1pt} - {\kern 1pt} {\text{CN}} - {\kern 1pt} {\text{Fe}}{\kern 1pt} - {\kern 1pt} {\text{CN}} - {\kern 1pt} {\text{Cu}}$$ linkages. The adjacent two polymer chains are linked by the $${\text{O}}{\kern 1pt} - {\kern 1pt} {\text{H}}{\kern 1pt} \cdot \cdot \cdot {\kern 1pt} {\text{N}}{\kern 1pt} \equiv {\kern 1pt} {\text{C}}{\kern 1pt} - $$ hydrogen bonding between [CuL(H2O)2]2+ and [Fe(CN)6]3−, forming a 3D supramolecular structure with inner hydrophilic channels. Magnetic susceptibility measurements show no exchange interaction between the Cu(II) and Fe(III) ions due to the longer $${\text{Cu}}{\kern 1pt} - {\kern 1pt} {\text{N}}$$ (axial) bond length.
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  • 5
    Electronic Resource
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    Journal of solution chemistry 28 (1999), S. 1113-1126 
    ISSN: 1572-8927
    Keywords: Ionic aqueous solutions ; structure ; thermodynamic properties ; self-diffusion coefficients ; molecular reorientation ; computer simulation ; intermolecular potentials
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Molecular dynamics simulations of single Mg2+ and Ca2+ ions in water have been carried out. Different ion-water potentials from the literature have been used, whereas the same water potential, a rigid simple point charged model, has been considered in all the simulations. Structural, thermodynamic, and dynamic properties have been calculated, and the results for different potentials have been compared with available experimental data. The study includes ion–water radial distribution functions, coordination numbers, solution enthalpies, hydration free energies, self-diffusion coefficients, and reorientational times of water molecules in the hydration shells.
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  • 6
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    Journal for general philosophy of science 30 (1999), S. 101-130 
    ISSN: 1572-8587
    Keywords: concept of truth ; criterion of truth ; protocol sentence ; linguistic framework ; formal and material mode of speech ; ontology ; structure ; logical syntax ; semantics ; internal and external questions ; existence ; fact ; reality ; world ; Carnap ; Hempel ; Neurath ; Schlick
    Source: Springer Online Journal Archives 1860-2000
    Topics: Philosophy , Nature of Science, Research, Systems of Higher Education, Museum Science
    Notes: Abstract The present article purports to show that the protocol sentence debate, pursued by some leading members of the Vienna Circle in the mid-1930s, was essentially a controversy over the explanation and the real significance of the concept of truth. It is further shown that the fundamental issue underlying the discussions about the concept of truth was the relationship between form and content, as well as between logic/language and the world. R. Carnap was the philosopher who most explicitly and systematically attempted to come to grips with this problem. It is shown that the form-content distinction pervades the three most important phases of Carnap's philosophical development: the structuralist (in Der logische Aufbau der Welt), the syntactical and the semantical. His final semantical stance is essentially determined by the concept of linguistic frameworks. The article purports to demonstrate that this concept cannot be dispensed with in philosophy, but that Carnap failed to work out its ontological implications. Finally, the concept of an internal ontology is briefly delineated.
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  • 7
    ISSN: 1572-8773
    Keywords: meglumine antimoniate ; structure ; leishmaniasis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Abstract The leishmanicidal drug, meglumine antimoniate (MA), has been synthesized by the reaction of antimony oxyhydrated and N-methyl glucamine. Infrared and solid state NMR 13C analysis of MA and the ligand strongly suggests that antimony binds to N-methyl glucamine through the oxygen of C-3 carbon. Potentiometric titration indicated that, between pH 4.5 and 7.5, MA exists in the zwitterionic form
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  • 8
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    Structural chemistry 10 (1999), S. 395-400 
    ISSN: 1572-9001
    Keywords: Hydrogen ; van der Waals radius ; structure ; gas-phase ; solid
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Van der Waalsa radii of hydrogen in the different gas-phase and condensed molecules are determined and shown that a value of the van der Waals radius depends on the effective charge of the H atom. Is described also the van der Waals anisotropy of H in some molecules.
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  • 9
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    Journal of thermal analysis and calorimetry 55 (1999), S. 155-164 
    ISSN: 1572-8943
    Keywords: DSC ; glass ; relaxation ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The enthalpic relaxation of the title glasses, studied by differential scanning calorimetry, is well described by a mathematical model based on the stretched exponential relaxation function with the relaxation time proportional to the actual viscosity. The dependence of viscosity on temperature and the fictive temperature was expressed by Mazurin's approximation. The relaxation parameters obtained correlated significantly with the glass composition, indicating the changes in the structural of the TiO2 role near a TiO2 content of 3–4 mol%.
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  • 10
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    Topics in catalysis 9 (1999), S. 93-103 
    ISSN: 1572-9028
    Keywords: mixed-bonded ; aluminophosphates ; open-framework ; layered ; synthesis ; structure ; hydrothermal ; solvothermal
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The structural features, the synthesis and the role of templates in the synthesis for mixed-bonded open-framework aluminophosphates and related layered materials will be reviewed in this article. These aluminophosphate materials differ from the (4,2)-connected aluminophosphates and zeolites in that they contain TO5 and/or TO6 primary building units or terminal T-O bonds (T stands for Al or P). The extra ligands for the TO5 and TO6 units in the aluminophosphates with framework Al/P = 1 are either bridging OH groups or H2O molecules in most cases whereas the terminal T-O bonds are either P-OH or P=O species with P=O bonds being prevalent in layered aluminophosphates. Most of TO5 or TO6 containing aluminophosphates are prepared using a cyclic amine or a diamine as the structure directing agent (template), and the aluminophosphates with Al/P〈1 or the layered materials tend to form from an alcoholic medium. Both synthetic conditions and templates play a critical role in determining the composition and structural feature of these materials.
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  • 11
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    Journal of sol gel science and technology 14 (1999), S. 7-25 
    ISSN: 1573-4846
    Keywords: black glass ; silicon oxycarbide ; Nicalon ; NMR ; Raman ; TEM ; high temperature stability ; surface chemistry ; network carbon ; elemental carbon ; structure ; free carbon ; FTIR ; nanocomposite ; silicon carbide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The first attempts to introduce carbon into glass date back to 1951. But up until recently, the use of carbon or carbide raw materials, and the oxidation, volatilization and decomposition that accompany high temperature melting, have limited the synthesis of true silicon oxycarbide glasses. Here, the term silicon-oxycarbide refers specifically to a carbon-containing silicate glass wherein oxygen and carbon atoms share bonds with silicon in the amorphous, network structure. Thus, there is a distinction between black glass, which contains only a second-phase dispersion of elemental carbon, and oxycarbide glasses which usually contain both network carbon and elemental carbon. In addition to exploring the unique properties and applications of these glasses, per se, they are also of interest for developing models of the residual amorphous phases in polymer-derived silicon-carbide and silicon-nitride ceramics. The application of sol/gel techniques to glass synthesis has significantly advanced the development and characterization of silicon oxycarbide glasses. In this approach, alkyl-substituted silicon alkoxides, which are molecular precursors containing oxygen and carbon functionalities on the silicon, can be hydrolyzed and condensed without decomposition or loss of the carbon functional group. A low-temperature (〈1000°C) heat-treatment of the gel creates a glassy silicate material whose molecular structure consists of an oxygen/carbon anionic network. In addition, there is always a blackening of the material due to elemental carbon, which forms during pyrolysis and densification of the gel. The nature of the network carbon, and especially the distribution and form of the elemental carbon, are fundamental to the structure and properties of these novel materials. Their chemical and physical characteristics as revealed by NMR, Raman and TEM are discussed in the overview. In addition, the high temperature stability of these glasses (up to 1750°C), and the effect of hot-pressing, are described. It will be shown that the silicon oxycarbide network is stable up to 1000–1200°C. The network carbon is terminated with hydrogen (i.e., CH, =CH2 and –CH3), and with polyaromatic carbon (i.e., nC6Hx) wherein most of the elemental carbon resides. These glasses can be described as molecular composites of polyaromatic graphene-rings dispersed in a silicon oxycarbide network. After heating to temperatures in excess of 1000–1200°C, the oxycarbide network decomposes through the loss of hydrogen, and a two- or three-phase glass-ceramic consisting of nanocrystalline graphite, silicon carbide, and amorphous silica or cristobalite, is created. Some of the properties and applications of these glasses/glass-ceramics for coatings, composites and porous solids are summarized.
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  • 12
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    Journal of sol gel science and technology 15 (1999), S. 129-136 
    ISSN: 1573-4846
    Keywords: simulation ; percolation ; aggregation ; structure ; kinetics
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Three-dimensional (3D) Monte Carlo simulations of diffusion limited cluster aggregation at different concentrations (φ) show a crossover from a flocculation regime at short times to a percolation regime close to the gel time (tg). Contrary to suggestions in the literature tg is independent of the system size (L) for large L. The structural and temporal crossovers between flocculation and percolation take place at characteristic values of the cluster mass (mc) and the time (tc) which depend on φ. After normalisation by these characteristic values the crossovers are independent of φ except for very small clusters and at short times. The concentration dependence of mc and tc indicates that the crossover takes place at a given cumulated volume fraction of the clusters independent of φ. At low concentrations the φ-dependence of tg is determined by the cluster growth in the flocculation regime.
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  • 13
    ISSN: 1573-4943
    Keywords: BSA ; acylation ; sulfamidation ; structure ; hydrophobicity
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Bovine serum albumin was chosen as a model protein to study the effect of the functionalization of the ε-NH2 of lysine residues with different carbon chains on the physical properties of proteins. Thus, BSA has been acylated and sulfonylated by means of anhydrides and sulfonyl chlorides, respectively. The secondary structures of modified BSA, studied by far-UV CD, showed very slight changes except after sulfamidation. However, near-UV CD and intrinsic fluorescence spectra revealed important conformational perturbations for proteins bearing long carbon chains. Furthermore, the binding of an apolar probe (ANS) to BSA revealed an improvement of surface hydrophobicity after modification. Meanwhile, Scatchard plot results indicate that only 20% of the hexanoyl carbon chains lie at the surface of the proteins. Solvent conditions should influence the exposure of these chains and consequently the surface hydrophobicity of proteins.
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  • 14
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    The protein journal 18 (1999), S. 29-38 
    ISSN: 1573-4943
    Keywords: Botulinum ; circular dichroism ; Clostridium ; hemagglutinin ; IR spectroscopy ; mass spectroscopy ; protein ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Clostridium botulinum causes the food poisoning disease botulism by producing botulinum neurotoxin, the most potent toxin known. The neurotoxin is produced along with a group of neurotoxin-associated proteins, or NAPs, which protect it from the low pH and proteases of the gastrointestinal tract. Recently, we isolated one of the major components of NAPs, a 33-kDa hemagglutinin (Hn-33) [Fu et al. (1998), J. Protein Chem. 17, 53–60]. In this study, we present molecular properties of Hn-33 derived from several biochemical and biophysical techniques. Hn-33 in pure form requires a 66-fold lower concentration of sugar inhibition of its hemagglutination activity than in its complexed form with the neurotoxin and other NAPs. However, its protease resistance is not affected by sugar binding. Based on FT-IR and circular dichroism (CD) analysis, Hn-33 is a predominantly β-sheet protein (74–77%). Hn-33 analysis by laser desorption mass spectrometry and size exclusion column chromatography reveals that it exists predominantly in a dimeric form in the aqueous solution. Even a very low concentration of SDS (0.05%) irreversibly destroyed the biological activity of Hn-33 by changing its secondary structure as revealed by far-UV CD analysis.
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  • 15
    ISSN: 1573-5001
    Keywords: ataxia ; mitochondrial protein ; neurodegenerative disease ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
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  • 16
    ISSN: 1573-4986
    Keywords: mycobacteria ; BCG ; polysaccharide ; arabinomannan ; structure ; AMs: arabinomannans ; ANDS: aminonaphthalene disulfonate ; APTS: 1-aminopyrene-3,6,8-trisulfonate ; Araf: arabinofuranose ; BCG: Bacille de Calmette et Guérin ; cAMs, cManAMs: cellular AMs, cellular ManAMs ; CZE: capillary electrophoresis ; HMBC: heteronuclear multiple bond correlation ; HMQC: heteronuclear multiple quantum correlation ; LAMs: lipoarabinomannans ; HOHAHA: homonuclear Hartman Hahn correlation ; LMs: lipomannans ; MALDI-TOF: Matrix-assisted laser desorption-ionization - time of flight ; ManAMs: mannose-capped arabinomannans ; ManLAMs: mannose-capped lipoarabinomannans ; Manρ: mannopyranose ; pAMs, pManAMs ; parietal AMs, parietal ManAMs ; PI anchor: phosphatidyl-myo-inositol anchor ; 1D: one-dimensional ; 2D: two-dimensional ; 6-α-Manρ represents →6Manρα1→
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The structures of the hydrophilic parietal and cellular arabinomannans isolated from Mycobacterium bovis BCG cell wall [Nigou et al. (1997) J Biol Chem 272: 23094–103] were investigated. Their molecular mass as determined by MALDI-TOF mass spectrometry was around 16kDa. Concerning cap structure, capillary electrophoresis analysis demonstrated that dimannoside (Manρα1→2Manρ) was the most abundant motif (65–75%). Using two-dimensional 1H-13C NMR spectroscopy, the mannan core was unambiguously demonstrated to be composed of →6Manρα1→ backbone substituted at some O-2 by a single Manρ unit. The branching degree was determined as 84%. Finally, arabinomannans were found to be devoid of the phosphatidyl-myo-inositol anchor and, by aminonaphthalene disulfonate tagging, the mannan core was shown to contain a reducing end. This constitutes the main difference between arabinomannans and lipoarabinomannans from Mycobacterium bovis BCG.
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  • 17
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    Journal of porous materials 6 (1999), S. 95-99 
    ISSN: 1573-4854
    Keywords: cement ; structure ; water ; phase transition ; diffraction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract Neutron diffraction studies of the static structure factor S(Q) of water confined in the pore space of cement samples have been carried out for temperatures from 170 to 293 K. At high temperatures, when the water in the pores is liquid, a fraction of the water molecules are strongly bound to specific adsorption sites on the crystalline components of the cement. On cooling, the water in the pore space solidifies at 245 K into a cubic structure different from that of bulk water at similar temperatures.
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  • 18
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    Journal of porous materials 6 (1999), S. 227-231 
    ISSN: 1573-4854
    Keywords: woodceramics ; thin film ; resistivity ; transmittance ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract Woodceramic thin films were prepared onto alumina sheet and glass slide substrates by conventional radio frequency sputtering in an argon plasma. A woodceramic disk, 100 mm in diameter, sintered at 850°C was used as a target. The deposition rate was about 90 nm/h for 200 W input power. Remarkable differences were observed in the characteristics of films depending on the substrate temperature. Films prepared below 100°C had insulating properties, ρ 〉 106 Ω cm, and had transmission in the visible region (λ 〉 600 nm), and had smooth surfaces. Increasing the substrate temperature causes sharp a decrease in the film resistivity and the growth of grain was 3–5 μm. The film prepared at 300°C had semiconductor characteristics with an energy gap of about 0.05 eV.
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  • 19
    ISSN: 1573-7551
    Keywords: formalization ; structure ; hypermedia ; argumentation ; design environments ; knowledge-based systems ; groupware ; knowledge representation ; tacit knowledge
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science
    Notes: Abstract This paper reflects on experiences designing, developing, and working with users of a variety of interactive computer systems. The authors propose, based on these experiences, that the cause of a number of unexpected difficulties in human-computer interaction lies in users' unwillingness or inability to make structure, content, or procedures explicit. Besides recounting experiences with system use, this paper discusses why users reject or circumvent formalisms which require such explicit expression, and suggests how system designers can anticipate and compensate for problems users have in making implicit aspects of their tasks explicit. The authors propose computational approaches that address this problem, including incremental and system-assisted formalization mechanisms and methods for recognizing and using undeclared structure; they also propose non-computational solutions that involve designers and users reaching a shared understanding of the task situation and the methods that motivate the formalisms. This paper poses that, while it is impossible to remove all formalisms from computing systems, system designers need to match the level of formal expression entailed with the goals and situation of the users -- a design criteria not commonly mentioned in current interface design.
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  • 20
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    Perspectives in drug discovery and design 15-16 (1999), S. 41-60 
    ISSN: 1573-9023
    Keywords: dipole moment ; neurotoxin ; NMR ; potassium channel ; scorpion ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Scorpion venom contains various toxins which block ion-channels, responsible for either sodium, potassium, calcium or chloride membrane permeation. This review focuses on the three-dimensional structure of scorpion toxins specific for potassium channels, and on their structure–activity relationships. The overall fold of all these toxins is similar, despite their various specificities towards different types of potassium channels. Fine studies of the influence of punctual mutations of both toxins and channels have converged on a precise description of the scorpion toxins functional maps. From this knowledge, it now becomes possible to predict the specificity of a newly described scorpion toxin. The way is thus now open that leads to the design of new potent synthetic potassium channel blockers which in turn could be used as therapeutic drugs.
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  • 21
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    Perspectives in drug discovery and design 15-16 (1999), S. 155-165 
    ISSN: 1573-9023
    Keywords: α- and β-subunits ; Ca2+-sensitivity ; function ; MaxiK channels ; structure ; tissue distribution
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
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  • 22
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    Journal of pharmacokinetics and pharmacodynamics 27 (1999), S. 577-596 
    ISSN: 1573-8744
    Keywords: sensitivity analysis ; structure ; physiologically based pharmacokinetic model ; transfer function ; frequency response
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Based on a frequency response approach to the sensitivity analysis of pharmacokinetic models, the concept of structural sensitivity is introduced. The core of this concept is the factorization of the system sensitivity into two multipliers. The first one, called structural sensitivity index, has an analytical form, which depends solely on the structure and connectivity of the system and does not depend on the drug administered or the factor perturbed. The second multiplier, the parameter sensitivity index, depends on the drug properties, the tissue of interest and the parameter perturbed, but is largely independent of the structure of the system. The structural and parametric sensitivity indices can be evaluated and analyzed separately. The most important feature of the proposed approach is that the conclusions drawn from the analysis of the structural sensitivity index are valid across all mammalian species, as the latter share a common anatomical and physiological structure. The concept of structural sensitivity is illustrated on the commonly used structure of the whole body physiologically based pharmacokinetic models by showing that the factorization of the sensitivity carried out arises naturally from the mechanism of the distribution of perturbations throughout the organism. The concept of structural sensitivity has interesting practical implications. It enables the formal proof of relationships and facts that have been observed previously. Moreover, the conclusions drawn introduce in fact a ranking of the tissues or subsystems with respect to their impact on the model outputs. From this ranking, direct recommendations regarding the design of experiments for whole-body physiologically based pharmacokinetic models are derived.
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  • 23
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    Journal of inclusion phenomena and macrocyclic chemistry 35 (1999), S. 431-449 
    ISSN: 1573-1111
    Keywords: Triphenylmethanol ; inclusion ; structure ; 2H NMR ; dynamics ; thermal stability
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The crystal structure of an inclusion compound formed by triphenylmethanol with di-methylformamide was determined (space group P1 with a = 898.8(3) pm, b = 1022.3 pm, c = 1177.3pm, α =104.57(1)°, β = 110.32(1)°, γ = 96.76(1)°, Z = 2 at T = 300 K). The structure of compounds formed with acetone and dimethylsulfoxide were rerefined. A new assignment for the acetone compound in space group P21/n allowed a better ordered description of the molecule. The structure of the dimethylsulfoxide compound at 100 K did not indicate a phase transition and reproduced basically the room temperature structure. The results were compared with the known structures of clathrates formed by triphenylmethanol with methanol and 1,4-dioxane. All triphenylmethanol inclusion compounds are unstable, and therefore their decomposition during heating was analysed by both thermalanalysis and X-ray powder diffraction. Vapor pressure measurements of the inclusion compounds were performed from 283 to 376 K. For the pure host no marked vapor pressure was detected in this temperature range with the setup used. From the logarithmic plots of vapor pressures versus temperature the heats of vaporization were determined. The dynamics of the deuterated guest molecules were studied by measurement of the temperature dependence of the 2H NMR signals derived from powder spectra in the range 120–335 K.
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  • 24
    ISSN: 1573-2746
    Keywords: polycrystal ; ionic ; oxide ; molecular-dynamics ; simulation ; growth ; thin film ; structure ; characterization ; grain boundary
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract A simulation methodology for the synthesis of polycrystalline, ionic thin films is developed. The method involves the preparation of a polycrystalline substrate onto which a thin film is subsequently grown by crystallization from the melt. A detailed structural analysis of a textured sixteen-grain FeO film, with a grain size of approximately 4.7 nm, shows that the interiors of the grains are almost perfect single crystals with only a very few vacancies and no interstitials. The grains are delineated by 〈001〉 tilt grain boundaries; as expected, the low-angle grain boundaries in the film consist of arrays of dislocations, while the high-angle grain boundaries are relatively narrow and well ordered.
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  • 25
    Electronic Resource
    Electronic Resource
    Springer
    Interface science 7 (1999), S. 251-271 
    ISSN: 1573-2746
    Keywords: triple junctions ; taxonomy ; dimensionality ; structure ; energy ; segregation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract We provide an overview of the properties of triple junctions and quadruple points. It is shown that these junctions may exhibit distinct behaviors that imply that they have and thermodynamically distinct properties in the same way that grain boundaries can be considered as thermodynamically distinct phases, separate from the material that they inhabit. It is shown that the treatment of triple junctions as thermodynamically distinct defects is a natural extension of the treatment of grain boundaries, and that it can be further extended to other junctions such as quadruple nodes. Equilibrium dihedral angles under conditions of anisotropic interfacial energy are explored, and it is found that the dihedral angles may be variable under a range of different conditions.
    Type of Medium: Electronic Resource
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  • 26
    Electronic Resource
    Electronic Resource
    Springer
    Bulletin of experimental biology and medicine 128 (1999), S. 765-778 
    ISSN: 1573-8221
    Keywords: heart failure ; conformation ; energy ; structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Abstract The problem of heart failure is analyzed from the point of view of conformation changes in submolecular cardiomyocyte structures. The development of heart failure as a consequence of abnormal function of contractile myocardial proteins is discussed. The properties of actin and the role of structural changes in actin molecules in the impairment of ATP energy utilization and generation of contractile force by actomyosin complexes are studied. Experiments on animal models and autopsy samples showed that conformation changes precede disturbances in energy utilization by myofibrils, abnormal functioning of the energy-producing and Ca2+-transporting systems during the development of heart failure. It is proposed that rigid recombinations of submolecular structures in contracile proteins underlie impairment of myocardial contractility and resistance of the myocardium to regulatory factors and drugs (immobilization).
    Type of Medium: Electronic Resource
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  • 27
    Electronic Resource
    Electronic Resource
    Springer
    Bulletin of experimental biology and medicine 127 (1999), S. 91-95 
    ISSN: 1573-8221
    Keywords: structure ; three-dimensional reconstruction ; thin myocardial filaments ; heart failure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Abstract Diffraction patterns of a single myocardial thin filament and its Mg-paracrystals from normal myocardium and in cardiac insufficiency caused by toxic allergic myocarditis were presented, and three-dimensional reconstruction of normal and pathological filaments was carried out. It was shown that in a rigor solution pathological actin protomers are elongated, while normal filaments are kidney-shaped. It is concluded that changes in the thin myocardial filament helix parameters in heart failure caused by toxic allergic myocarditis are due to the loss of conformational mobility of native actin filaments.
    Type of Medium: Electronic Resource
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