ALBERT

All Library Books, journals and Electronic Records Telegrafenberg

feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
Filter
  • Articles  (108)
  • Springer  (98)
  • American Institute of Physics (AIP)  (10)
  • Public Library of Science (PLoS)
  • Chemistry and Pharmacology  (108)
Collection
  • Articles  (108)
Journal
  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 9834-9840 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this "inherent dynamics" approach we find direct numerical evidence for the long held view that below a crossover temperature, Tx, the liquid's dynamics can be separated into (i) vibrations around inherent structures and (ii) transitions between inherent structures [M. Goldstein, J. Chem. Phys. 51, 3728 (1969)], i.e., the dynamics become "dominated" by the potential energy landscape. In agreement with previous proposals, we find that Tx is within the vicinity of the mode-coupling critical temperature Tc. We further find that near Tx, transitions between inherent structures occur via cooperative, stringlike rearrangements of groups of particles moving distances substantially smaller than the average interparticle distance. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 509-512 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Dynamical heterogeneity and the decoupling of diffusion and relaxation in a supercooled liquid is investigated via a time-dependent, four-point density correlation function. We show that the main contribution to the corresponding generalized susceptibility χ4(t) in a molecular dynamics simulation of a Lennard-Jones liquid arises from spatial correlations between temporarily localized ("caged") particles. By comparing χ4(t) with a generalized susceptibility χM(t) related to a correlation function for the squared particle displacements, we demonstrate a connection between dynamical heterogeneity and the decoupling of relaxation and diffusion. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 2257-2270 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We have studied the structure of a monolayer of C21H43OH on water, in the region near close packing, by grazing incidence in-plane x-ray diffraction. For all temperatures studied the isotherms in the πa plane show a kink, signaling a phase transition. Along an isotherm, and for pressures above the kink, we observe that the transverse structure factor has one peak which has constant position, width, and intensity; below the kink the diffraction peak shifts to smaller scattering vector (larger separation) and the amplitude decays as the surface pressure decreases, but the width of the peak remains constant. We rationalize these observations in terms of the influence on the transverse structure factor of gauche configurations in the amphiphile tails, with the kink representing the point at which the last of the gauche configurations is squeezed out of the chain. Along an isobar which is at higher pressure than the kink pressures of all isotherms crossed, the transverse structure factor has a single peak above a transition temperature and two peaks below that temperature; for π=30 dyn/cm the transition temperature is in the range 16.3〈T〈21.3 °C. We interpret this observation, by comparison with the properties of the lamellar crystalline n-paraffins, as a hexagonal-to-pseudohexagonal structural transition analogous to the crystal rotator II-to-rotator I transition. Our results imply that the hydrocarbon tails of the amphiphile molecules dominate the properties of the monolayer.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 2393-2397 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Frequently, time-dependent effects are seen in monolayers of amphiphilic molecules (Langmuir films) when they are compressed, so that the pressure after some time is different from that recorded immediately after compression. We have identified for the first time a microscopic relaxation mechanism in monolayers of heneicosanol (C21H43OH): namely, a transition from a uniaxially distorted ("pseudohexagonal'') structural, formed upon compression, to an undistorted hexagonal structure. For T〉20 °C we observe only an apparently hexagonal phase, while at T=5 °C we observe only an apparently stable pseudohexagonal phase. When 10≤T≤20 °C, the monolayer structure changes with time from pseudohexagonal to hexagonal. The rate at which this transformation occurs is strongly temperature dependent. We propose that the observed temperature dependence is determined by the rate of nucleation of a hexagonal phase from a metastable shear-induced structure.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 4129-4137 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Neural networks provide an efficient, general interpolation method for nonlinear functions of several variables. This paper describes the use of feed-forward neural networks to model global properties of potential energy surfaces from information available at a limited number of configurations. As an initial demonstration of the method, several fits are made to data derived from an empirical potential model of CO adsorbed on Ni(111). The data are error-free and geometries are selected from uniform grids of two and three dimensions. The neural network model predicts the potential to within a few hundredths of a kcal/mole at arbitrary geometries. The accuracy and efficiency of the neural network in practical calculations are demonstrated in quantum transition state theory rate calculations for surface diffusion of CO/Ni(111) using a Monte Carlo/path integral method. The network model is much faster to evaluate than the original potential from which it is derived. As a more complex test of the method, the interaction potential of H2 with the Si(100)-2×1 surface is determined as a function of 12 degrees of freedom from energies calculated with the local density functional method at 750 geometries. The training examples are not uniformly spaced and they depend weakly on variables not included in the fit. The neural net model predicts the potential at geometries outside the training set with a mean absolute deviation of 2.1 kcal/mole. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 6
    ISSN: 1432-1424
    Keywords: plasma membrane ; lung ; histamine receptors ; 5′ nucleotidase
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Summary A simple and rapid method of isolating plasma membranes from human peripheral lung tissue is described. The method involves homogenization of tissue in 0.25m sucrose-buffered medium followed by differential and sucrose density gradient centrifugation. Enzymatic and morphological characterization of the plasma membrane fraction revealed minimal contamination by nonplasma membrane fragments. The isolated plasma membranes showed an 18-fold purification of 5′-nucleotidase activity compared to the original homogenate. Electronmicroscopic studies of the plasma membrane fraction revealed the presence of small membrane vesicles having a trilaminar membrane structure. To further examine the purity of the plasma membrane preparation, the binding of the H1 receptor antagonist,3H pyrilamine, to the plasma membrane-enriched fraction was compared to the binding to crude membrane preparations. Both the plasma membrane-enriched fraction and the crude membrane preparation had similar Kd's for the histamine antagonist, but the plasma membrane-enriched fraction had a threefold greater binding capacity, reflecting the relative enrichment of plasma membranes of the preparation. Thus, a method has been developed for the isolation of plasma membranes from human peripheral lung which should provide material for a variety of biochemical and pharmacological studies.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 7
    Electronic Resource
    Electronic Resource
    Springer
    Monatshefte für Chemie 126 (1995), S. 839-850 
    ISSN: 1434-4475
    Keywords: Electrode glasses ; Principal Component Analysis ; Cluster analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary Cluster Analysis has been shown to be partially suitable for the classification of glasses. The expansion of the clusters on theSeger's diagram allows an investigation of the influence of the different glass components. Variation of the SiO2 content results in a smaller change of properties than variation of the Na2O/RO relationship. Principal Component Analysis is convenient for showing correlations between the composition of the examined glasses, the glass structure parameters, and the different electrode properties. Properties of electrodes are mostly influenced by the content of Na2O and by the kind of the divalent cations. In contrast thereto structure parameters become basically determined by the content of SiO2 and RO. The field strength of the divalent cations plays the decisive roll again.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 8
    Electronic Resource
    Electronic Resource
    Springer
    Fresenius' journal of analytical chemistry 358 (1997), S. 240-241 
    ISSN: 1432-1130
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Silica modified with benzene was investigated by infrared and solid state 13C cross-polarization magic angle spinning nuclear magnetic resonance spectroscopy (13C CP MAS NMR). Whereas infrared spectroscopy did not allow to distinguish between phenyl and polyphenyl groups, this was possible by solid state nuclear magnetic resonance spectroscopy.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 9
    Electronic Resource
    Electronic Resource
    Springer
    Fresenius' journal of analytical chemistry 357 (1997), S. 503-504 
    ISSN: 1432-1130
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Starting with the high functionalized trisilane SiClMe(SiCl2Me)2 and tetrasilane SiMe(SiCl2Me)3 several octa- and decasilane dendrimers containing directly neighboured branchings were prepared. In these compounds the 29Si NMR chemical shifts of the different silyl groups are shifted towards lower field compared with those of analogous groups in tetra- or hexasilanes. This observation is a helpful tool for the characterization of further dendritic oligomers by 29Si NMR.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 10
    Electronic Resource
    Electronic Resource
    Springer
    Fresenius' journal of analytical chemistry 363 (1999), S. 185-188 
    ISSN: 1432-1130
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract 15N solid state NMR without enrichment is rarely used because of the low sensitivity and low natural abundance of this nucleus. As demonstrated on different nitrogen-containing polysilanes and polysilazanes, it can be shown that with the CP/MAS technique spectra can be obtained in good quality and within acceptable measuring time. Three main different nitrogen sites – NSi3, NSi2H and NSiH2– can be observed as well as changes in the intensities of these sites with reaction and tempering conditions. Thus the spectra give valuable additional information for a better understanding of the structures and their changes within the investigated systems.
    Type of Medium: Electronic Resource
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...