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  • 1
    ISSN: 1520-4995
    Source: ACS Legacy Archives
    Topics: Biology , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 1432-1017
    Keywords: Myoglobin ; XANES ; synchrotron radiation ; protein structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Physics
    Notes: Abstract The ligand bonding geometry of carboxy-and cyanomet-myoglobin (MbCO and MbCN) has been measured by the XANES method (X-ray Absorption Near Edge Structure). A comparison between the ligand bonding geometry of carboxy- and cyanomet-myoglobin and of chelated protoheme methyl ester shows that the bent Fe−C−O configuration is the same in both systems. Therefore, we suggest that this configuration is not associated with any steric contraint imposed by the side chains of the aminoacid residues at the distal side of the heme pocket.
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 1432-1017
    Keywords: Key words Hemoproteins ; Synchrotron radiation ; Multiple scattering
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Physics
    Notes: Abstract Spin resolved multiple scattering (MS) calculations of Fe K-edge X-ray Absorption Near Edge Structure (XANES) of myoglobin are reported for the first time. The observed differences of the Fe K-edge XANES spectra of sperm whale metmyoglobin under spin transition as a function of temperature have been studied. The method allows one to compute separately spin effects and local structural effects. The results show that spin effects are confined in the absorption rising edge in the range 7111–7130 eV, while purely structural effects are dominant in the range 7130–7170 eV. Symmetry changes of the Fe coordination sphere mainly related to its movement towards the heme plane, coupled to an increase of axial asymmetry, can explain the XANES changes observed above 7130 eV without an appreciable change of the Fe-Np distance.
    Type of Medium: Electronic Resource
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  • 4
    ISSN: 1432-1017
    Keywords: Hemoproteins ; Synchrotron radiation ; XANES ; Photolysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Physics
    Notes: Abstract The ligand photodissociation of sperm whale carboxymyoglobin (MbCO) at low temperature (15 K-100 K) under extended illumination has been studied by X-ray Absorption Near Edge Structure (XANES) spectroscopy using the dispersive technique. XANES simulations through the multiple scattering (MS) approach allow one to interpret the spectroscopic data in structural terms, and to investigate the Fe site structure configurations of the states that follow the CO photodissociation as a function of temperature. The Fe site in the photoproduct is unbound, with an overall structure similar to the deoxy-form (Mb) of the protein. The Fe site structure changes from T 〈 30 K (Mb*) to T〉50 K (Mb**), revealing the existence of a slower unbound state Mb**. A model is proposed which includes the faster state (Mb*) as a planar porphyrin ring with a displacement of Fe from the heme plane of less than 0.3 Å, and the slower state (Mb**) with a domed heme.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 16 (1994), S. 1815-1820 
    ISSN: 0392-6737
    Keywords: Insulator-superconductor transitions ; unconventional mechanisms of high-T c superconductivity ; Other topics in superconductivity ; Conference proceedings
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Summary The temperature dependence of local Cu site conformations in single-domain crystals of Bi2Sr2CaCu2O8+y (Bi-2212) and La1.85Sr0.15CuO4 (La-214) has been determined by EXAFS (Extended X-ray Absorption Fine Structure), a fast (10−15 s) and local probe. Two sets of Cu site conformations characterized by the Cu−O(apical) bond distances and tilting of copper square plane have been found atT〈T*∼1.5T c . The difference between the long and short Cu−O(apical) distance appeared to be 0.17 Å and 0.12 Å atT〈T* in Bi-2212 and La-214 systems, respectively. The polarons are associated with the short Cu−O(apical) bond distance. The ratio between the number of short and the total number of Cu−O(apical) bonds (N short/N tot∼0.42 in both systems) is a measure of the relative area of distorted and undistorted domains. By using this result we have been able to show the polaronic nature of the one-dimensional structural anharmonic modulation of the CuO2 plane in Bi-2212 where the polarons have dimensionW=(11±1) Å atT〈T*≈1.4T c and are condensed into a one-dimensional generalized Wigner charge density wave (CDW). It appears that superconductivity is stabilized at thigh temperature by resonant quantum confinement in a superlattice of stripe widthL wherek Fx ∼k Fy ∼π/L.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 2 (1983), S. 1281-1304 
    ISSN: 0392-6737
    Keywords: Molecular biophysics
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Description / Table of Contents: Riassunto Il legame Mn2+-ATP è stato studiato mediante analisi della struttura fine dello spettro di assorbimento alla sogliaK del Mn (EXAFS e XANES), utilizzando la radiazione di sincrotrone del PULS di Frascati. Si presentano e discutono i risultati ottenuti su campioni, sia liofilizzati che liquidi, di soluzioni a temperatura ambiente del complesso Mn-ATP in diverse condizioni dipH per diversi valori del rapporto Mn:ATP. Lo ione Mn appare in coordinazione ottaedrica con gli ossigeni dei gruppi fosfati nel primo strato di coordinazione. I valori trovati per le distanze Mn−O ed Mn−P sono di (2.15±0.05) Å e di (3.4±0.05) Å, rispettivamente, mentre considerazioni teoriche basate sui risultati sperimentali sembrano escludere la presenza di un legame diretto del Mn con l'N(7) dell'adenina. I numeri di coordinazione per il primo e il secondo strato di coordinazione suggeriscono la formazione di un complesso Mn-(ATP)2 in soluzione apH=9 e con Mn:ATP=1:10, mentre, a piú bassipH e piú alti valori del rapporto Mn:ATP, si trova il complesso Mn-ATP=1:1.
    Abstract: Резюме Исследуется связь ионов Mn2+ в ATP молекулах, с помощью анализа тонкой структуры спектров поглощения рентгеновских лучей (EXAFS и XANES) наК-краю Mn, используя сихнротронное излучение в Фраскати. Приводятся и обсуждаются полученные результаты в замороженных-сухих и жидких образцах водных растворов при комнатной температуре комплекса Mn−ATP при различных значенияхpH и отношения Mn:ATP. Оказывается, что ион Mn2+ находится в восьмигранной координации с кислородом фосфатной группы в первой коористояний Mn−O и Mn−P. Теоретические рассмотрения и экспериментальные результаты не подтверждают существования прямой связи Mn с атомом N(7) в кольце аденина. Координатные числа для первой и второй оболочек согласуются с образованием комплекса Mn(ATP)2 в растворе приpH=9 и Mn:ATP=1:10, тогда как комплекс Mn ATP 1:1 появляется при меньшихpH и больших отношениях Mn:ATP.
    Notes: Summary The binding of Mn2+ ions to ATP molecules has been studied by means of the fine-structure analysis of X-ray absorption spectra (EXAFS and XANES) at theK-edge of Mn using the synchrotron, radiation facility PULS in Frascati. The results obtained in both freeze-dried and liquid samples of aqueous solutions at room temperature of the Mn-ATP complex under diffrent values ofpH and Mn:ATP ratio are reported and discussed. The Mn2+ ion appears to be octahedrally coordinated, the phosphate oxygen atoms being in the first co-ordination shell. Values of (2.15±0.05) Å and (3.4±0.05) Å, respectively, have been found for Mn-O and Mn-P distances. Theoretical considerations together with experimental results do not support the existence of a direct binding of the Mn to the N(7) atom of the adenine ring. The coordination numbers for the first and second shell are consistent with the formation of a Mn(ATP)2 complex in solution atpH=9 and Mn: ATP=1:10, while a Mn-ATP 1:1 complex is found at lowerpH and higher Mn: ATP ratios.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    Il nuovo cimento della Società Italiana di Fisica 7 (1986), S. 493-505 
    ISSN: 0392-6737
    Keywords: X-ray absorption and absorption edges
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Description / Table of Contents: Riassunto La distribuzione della densità parziale degli stati vuoti nelle perovskiti intermetalliche Mn3MeX (X=N, Me=Mn, Cu, Zn, Ga, Sn; X=C, Me=Ga, Sn) è stata studiata mediante spettroscopia XANES (X-ray absorption near edge structure) alle soglieK del Mn e del metallo Me. Le informazioni sulla struttura elettronica locale di entrambi i siti, ottenute dall’analisi dei primi 10 eV degli spettri XANES, sono discussed in termini di un modello proposto. Il cambiamento relativo della forma negli spetttri dei diversi composti è posto in relazione alla differente ibridizzazione tra stati di atomi diversi e/o dal riempimento degli stati della banda vuota con elettroni forniti dal metallo sostituente. Sono state anche ottenute informazioni sulla struttura geometrica locale analizzando gli spettri nell’intervallo da 10 a 50 eV.
    Notes: Summary We have measured the XANES (X-ray absorption near edge structure) spectra on the manganese and metal MeK-edges of the intermetallic perowskites Mn3MeX (X=N, Me=Mn, Cu, Zn, Ga, Sn; X=C, Me=Ga, Sn) to investigate the distribution on the partial density of the empty states. The information on the local electronic structure at the two differents sites, obtained from the spectra in the first 10 eV above the onset, is discussed in terms of one-electron band model. The relative shape changes in the spectra between the different compounds are explained by the different magnitude of hybridization between the electronic states of different atoms and/or the filling of the empty band by the electrons supplied by the substituted metal. Moreover, information about the local geometrical structure has been obtained from the (10÷50) eV range of the spectra.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Biochemical and Biophysical Research Communications 131 (1985), S. 98-102 
    ISSN: 0006-291X
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Biology , Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Biochemical and Biophysical Research Communications 147 (1987), S. 31-38 
    ISSN: 0006-291X
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Biology , Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Biochemical and Biophysical Research Communications 198 (1994), S. 646-652 
    ISSN: 0006-291X
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Biology , Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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