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  • 1
    Electronic Resource
    Electronic Resource
    Investigating the dielectric effects of channel pore water on the electrostatic barriers of the permeation ion by the finite difference Poisson-Boltzmann method (1998)
    Springer
    European biophysics journal 27 (1998), S. 105-112 
    Details
    ISSN: 1432-1017
    Keywords: Key words Pore constant ; Electrostatic barrier ; The FDPB method
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Physics
    Notes: Abstract In this paper, the finite difference Poisson-Boltzmann (FDPB) method with four dielectric constants is developed to study the effect of dielectric saturation on the electrostatic barriers of the permeation ion. In this method, the inner shape of the channel pore is explicitly represented, and the fact that the dielectric constant inside the channel pore is different from that of bulk water is taken into account. A model channel system which is a right-handed twist bundle with four α-helical segments is provided for this study. From the FDPB calculations, it is found that the difference of the ionic electrostatic solvation energy for wider domains depends strongly on the pore radius in the vicinity of the ion when the pore dielectric constant is changed from 78 to 5. However, the electrostatic solvation energy of the permeation ion can not be significantly affected by the dielectric constant in regions with small pore radii. Our results indicate that the local electrostatic interactions inside the ion channel are of major importance for ion electrostatic solvation energies, and the effect of dielectric saturation on the electrostatic barriers is coupled to the interior channel dimensions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s002490050116
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  • 2
    Electronic Resource
    Electronic Resource
    Spectroscopic and computer simulation study on paramagnetic copper-containing plastocyanin (1986)
    Springer
    Il nuovo cimento della Società Italiana di Fisica 8 (1986), S. 76-90 
    Details
    ISSN: 0392-6737
    Keywords: Electron paramagnetic resonance and relaxation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Description / Table of Contents: Riassunto I parametri dell’hamiltoniana di spin relativa alla plastocianina, contenente ioni Cu2+ paramagnetici, sono stati determinati mediante simulazione al computer usando un modello teorico che tiene conto della modulazione statistica dei tensorig edA dovuta allo strain. Il modello tiene conto inoltre della corretta esressione da usare per l’intensità EPR nel dominio del campo. Un metodo di simulazione Monte Carlo è stato usato per rappresentare la struttura del solvente attorno al sito attivo della plastocianina. Il quadro d’insieme solvente-biomolecola, ottenuto calcolando le energie di interazione acqua-acqua ed acqua-plastocianina, ci ha permesso di determinare una distanza di 6.7 Å fra lo ione rame e la molecola d’acqua piú vicina.
    Abstract: Резюме С помошью компьютерного моделирования полностью получаются спиновые параметры Гамильтониана дпя парамагнитного пластоцианина, содержащего Cu2+, используя теотическую модель, которая учиывает деформацию, обсловленную статистической модуляцией тензоровg иA. Кроме того, предложенная модель модедь дает правильное выражение для интенсвнхости электронного парамагнитного резонанса в области поля. Для схематического изобважения структуры растворителя около активного узла (содержашего Cu2+) пластоцианина исользуется метод Монте Карло. Структура биомолекулы растворителя, полупенная при вычислении энергий взаимодействий между молекдами «вода-бода» и «вода-пластоцианин», позволяет нам опеделить расстояние 6.7 Å между ионом меди и ближайшей молекулой воды.
    Notes: Summary The spin Hamiltonian parameters of paramagnetic Cu2+-containing plastocyanin have been fully extracted by computer simulation using a theoretical model taking into account the strain-induced statistical modulation ofg andA tensors. The model is, moreover, dealing with the correct expression to be used for the EPR intensity in the field domain. A monte Carlo simulation method was used to sketch the solvent network around the active (Cu2+-containing) site of plastocyanin. The solvent-biomolecule picture, obtained by computing both water-water and water-plastocyanin interaction energies, allowed us to calculate a distance of 6.7 Å between the copper ion and the nearest water molecule.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02450468
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  • 3
    Electronic Resource
    Electronic Resource
    Rotationally resolved hot atom collisional excitation of CO2 0001 and 0002 stretching vibrations by time-resolved diode laser spectroscopy (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 88 (1988), S. 6240-6254 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A tunable infrared diode laser has been used to monitor the time-resolved absorption of rovibrationally excited CO2 molecules produced in collisions with fast hydrogen atoms from the 193 nm excimer laser photolysis of H2S. Nascent relative rotational population distributions were measured for the 0001 and 0002 vibrational states in CO2 following collisional excitation. The nascent distributions for both of these states were found to be significantly displaced from the 300 K Boltzmann distribution with peaks at J=31 and J=34 for 0001 and 0002, respectively. An approximate diffusion treatment for the mass transport of fast moving hydrogen atoms out of the region of the diode laser probe beam was developed and used to obtain approximate absolute scattering cross sections. Sufficient energy is available in the H/CO2 collision process to excite 0001 rotational states with J greater than 140. The fall-off in excitation probability for J〉31 is ascribed to the small impact parameter necessary to produce vibrationally excited CO2 (0001). This in turn limits the total angular momentum available in those collisions which actually produce 0001. These results are compared with previous experiments measuring the total probability for collisional excitation of all ν3 quanta as well as with various models for inelastic collisional scattering.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.454463
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  • 4
    Electronic Resource
    Electronic Resource
    Local vibrational modes of carbon in GaSb and GaAsSb (2002)
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 80 (2002), S. 1942-1944 
    Details
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We have measured the Raman spectra of heavily carbon doped (p〉1019 cm−3) GaSb and GaAsSb. A local vibrational mode (LVM) due to carbon residing on group-V lattice sites was observed at 540 cm−1 for GaSb and 568 cm−1 for GaAs0.44Sb0.56. A gap mode at 164 cm−1 was observed for GaSb. The frequency of the LVM as well as the gap mode is in quantitative agreement with recent theoretical predictions. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1461871
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  • 5
    Electronic Resource
    Electronic Resource
    Design of the advanced light source elliptical wiggler
    Amsterdam : Elsevier
    Nuclear Instruments and Methods in Physics Research Section A: 347 (1994), S. 67-72 
    Details
    ISSN: 0168-9002
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1016/0168-9002(94)91856-2
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  • 6
    Electronic Resource
    Electronic Resource
    Optimization of circularly-polarized radiation from an elliptical wiggler, asymmetric wiggler, or bending magnet
    Amsterdam : Elsevier
    Nuclear Instruments and Methods in Physics Research Section A: 347 (1994), S. 92-97 
    Details
    ISSN: 0168-9002
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1016/0168-9002(94)91861-9
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  • 7
    Electronic Resource
    Electronic Resource
    Optically pumped far-infrared laser theory based on the dressed-atom (molecule) approach
    Amsterdam : Elsevier
    Optics Communications 64 (1987), S. 437-442 
    Details
    ISSN: 0030-4018
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
    URL: http://linkinghub.elsevier.com/retrieve/pii/0030-4018(87)90314-2
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  • 8
    Electronic Resource
    Electronic Resource
    Reactions of N-sulfinylfluoroalkanesulfonyl amines with nucleophiles containing reactive hydrogen
    Amsterdam : Elsevier
    Journal of Fluorine Chemistry 69 (1994), S. 85-88 
    Details
    ISSN: 0022-1139
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://linkinghub.elsevier.com/retrieve/pii/0022-1139(93)03060-Y
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  • 9
    Electronic Resource
    Electronic Resource
    Formation of silver particles and silver oxide plume nanocomposites upon pulsed-laser induced liquid-solid interface reaction (2004)
    Springer
    The European physical journal 41 (2004), S. 479-483 
    Details
    ISSN: 1434-6036
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract. Nanodendrites consisting of silver and silver oxide are grown upon a pulsed-laser induced reaction at the interface between the solid target and silver nitrate solution. By using a high-resolution transmission electron microscope (HRTEM) equipped with an energy dispersive X-ray spectrometer (EDS) and selected area diffraction (SAD), the fabricated nanopatterns are identified to be a composite structure that consisting of silver nanoparticles and silver oxide nanoplumes with polycrystalline structure. In detail, these silver nanocrystals are trunks of the nanodendrite, and their size is in the range of 30 to 50 nm. The silver oxide nanoplumes are branches of the nanodendrite, and their width and length are in the ranges of 20 to 50 nm and 30 to 100 nm, respectively. Additionally, we suggested a vapor-liquid mechanism for the formation of the nanopatterns using a pulsed-laser induced liquid-solid interface reaction, in which both silver clusters in vapor and silver ions in solution are simultaneously involved.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1140/epjb/e2004-00341-4
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  • 10
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    Atmospheric conditions in the central Arctic Ocean through the melt seasons of 2012 and 2013: Impact on surface conditions and solar energy deposition into the ice-ocean system (2016)
    Wiley
    In:  EPIC3Journal of Geophysical Research-Atmospheres, Wiley, ISSN: 0148-0227
    Details
    Publication Date: 2017-01-20
    Description: Spectral Radiation Buoys and ice mass balance buoys were deployed on first-year ice near the North Pole in April 2012 and 2013, collecting in-band (350-800nm) solar radiation and ice and snow mass balance data over the complete summer melt seasons. With complementary European ERA-Interim reanalysis, National Centers for Environmental Prediction (NCEP) Climate forecast system version 2 (CFSv2) analysis and satellite passive microwave data, we examine the evolution of atmospheric and surface melt conditions in the two differing melt seasons. Prevailing atmospheric conditions contributed to a longer and more continuous melt season in summer 2012 than in 2013, which was corroborated by in situ observations. ERA-Interim reanalysis data showed that longwave radiation likely played a key role in delaying the snowmelt onset in 2013. The earlier melt onset in 2012 reduced the albedo, providing a positive ice-albedo feedback at a time when solar insolation was high. Due to earlier melt onset and later freeze-up in 2012, more solar heat was deposited into the ice-ocean system than in 2013. Summer 2013 was characterized by later melt onset, intermittent freezing events and an earlier fall freeze-up, resulting in considerably fewer effective days of surface melt and a higher average albedo. Calculations for idealized seasonal albedo evolution show that moving the melt onset just 1week earlier in mid-June increases the total absorbed solar radiation by nearly 14% for the summer season. Therefore, the earlier melt onset may have been one of the most important factors driving the more dramatic melt season in 2012 than 2013, though atmospheric circulation patterns, e.g., cyclone in early August 2012, likely contributed as well.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , peerRev
    Format: application/pdf
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