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  • Wiley-Blackwell  (11,117)
  • 2010-2014  (32)
  • 1980-1984  (8,849)
  • 1960-1964
  • 1925-1929  (2,236)
  • 2013  (32)
  • 1984  (8,849)
  • 1929  (2,236)
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Years
  • 2010-2014  (32)
  • 1980-1984  (8,849)
  • 1960-1964
  • 1925-1929  (2,236)
Year
  • 1
    Publication Date: 2020-12-21
    Description: We detail the Kamil crater (Egypt) structure and refine the impact scenario, based on the geological and geophysical data collected during our first expedition in February 2010. Kamil Crater is a model for terrestrial small-scale hypervelocity impact craters. It is an exceptionally well-preserved, simple crater with a diameter of 45 m, depth of 10 m, and rayed pattern of bright ejecta. It occurs in a simple geological context: flat, rocky desert surface, and target rocks comprising subhorizontally layered sandstones. The high depth-to-diameter ratio of the transient crater, its concave, yet asymmetric, bottom, and the fact that Kamil Crater is not part of a crater field confirm that it formed by the impact of a single iron mass (or a tight cluster of fragments) that fragmented upon hypervelocity impact with the ground. The circular crater shape and asymmetries in ejecta and shrapnel distributions coherently indicate a direction of incidence from the NW and an impact angle of approximately 30 to 45 . Newly identified asymmetries, including the off-center bottom of the transient crater floor downrange, maximum overturning of target rocks along the impact direction, and lower crater rim elevation downrange, may be diagnostic of oblique impacts in well-preserved craters. Geomagnetic data reveal no buried individual impactor masses 〉100 kg and suggest that the total mass of the buried shrapnel 〉100 g is approximately 1050–1700 kg. Based on this mass value plus that of shrapnel 〉10 g identified earlier on the surface during systematic search, the new estimate of the minimum projectile mass is approximately 5 t.
    Description: Published
    Description: 1842–1868
    Description: 3.8. Geofisica per l'ambiente
    Description: JCR Journal
    Description: restricted
    Keywords: Impact craters ; geophysical survey ; iron meteorite ; impact scenario ; 04. Solid Earth::04.02. Exploration geophysics::04.02.99. General or miscellaneous ; 04. Solid Earth::04.02. Exploration geophysics::04.02.07. Instruments and techniques ; 04. Solid Earth::04.04. Geology::04.04.99. General or miscellaneous
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
    Type: article
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  • 2
    Publication Date: 2020-12-07
    Description: We present new stratigraphic, palaeomagnetic, 87Sr/86Sr and 40Ar/39Ar data from a lacustrine succession of the Sulmona basin, central Italy, which, according to an early study, included six unconformitybounded lacustrine units (from SUL6, oldest, to SUL1, youngest) spanning the interval 〉600 to 2 ka. The results of the present study, on the one hand confirm some of the previous conclusions, but by contrast reveal that units SUL2 and SUL1, previously attributed to the Holocene, are actually equivalent to the older SUL6 and SUL5 units – here dated to 814–〉530 ka and 530–〈457 ka, respectively – and that the U-series dates previously published for both former SUL2 and SUL1 units yielded abnormally young ages. In light of the present results, a reassessment of the chronology of the Sulmona basin succession and a revision of the tephrostratigraphy of the SUL2/SUL6 and SUL1/SUL5 units is in order.
    Description: Published
    Description: 545–551
    Description: 2.2. Laboratorio di paleomagnetismo
    Description: JCR Journal
    Description: restricted
    Keywords: 40Ar/39Ar dating; central Italy ; Sr isotope composition ; Sulmona lacustrine succession ; Brunhes–Matuyama geomagnetic reversal ; tephrostratigraphy ; U-series dating ; 04. Solid Earth::04.04. Geology::04.04.08. Sediments: dating, processes, transport ; 04. Solid Earth::04.04. Geology::04.04.10. Stratigraphy ; 04. Solid Earth::04.05. Geomagnetism::04.05.06. Paleomagnetism
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 3
    Publication Date: 2020-12-15
    Description: Seismogram envelopes recorded at Campi Flegrei caldera show diffusive characteristics as well as steep amplitude increases in the intermediate and late coda, which can be related to the presence of a non-uniformly scattering medium. In this paper, we first show the results of a simulation with a statistical model considering anisotropic scattering interactions, in order to match coda-envelope duration and shape.We consider as realistic parameters for a volcanic caldera the presence of large square root velocity fluctuations (10 per cent) and two typical correlation lengths for such an heterogeneous crust, a = 0.1 and 1 km. Then, we propose the inclusion of a diffusive boundary condition in the stochastic description of multiple scattering, in order to model intermediate and late coda intensities, and particularly the sharp intensity peaks at some stations in the caldera. Finally, we show that a reliable 2-D synthetic model of the envelopes produced by earthquakes vertically sampling a small region can be obtained including a single drastic change of the scattering properties of the volcano, that is, a caldera rim of radius 3 km, and sections varying between 2 and 3 km. These boundary conditions are diffusive, which signifies that the rim must have more scattering potential than the rest of the medium, with its diffusivity 2–3 orders of magnitude lower than the one of the background medium, so that the secondary sources on its interface(s) could enhance coda intensities. We achieve a good first-order model of high-frequency (18 Hz) envelope broadening adding to the Monte Carlo solution for the incident flux the secondary source effects produced by a closed annular boundary, designed on the caldera rim signature at 1.5 km depth. At lower frequencies (3 Hz) the annular boundary controls the intermediate and late coda envelope behaviour, in a way similar to an extended diffusive source. In our interpretation, the anomalous intensities observed at several stations and predicted by the final Monte Carlo solutions are mainly due to the diffusive transmission reflection from a scattering object of increased scattering power, and are controlled by its varying thickness.
    Description: This work was carried out under the HPC-Europa2 project (project number: 228398) with the support of the European Commission Capacities Area-Research Infrastructures Initiative. We thank the whole staff at EPCC (Edinburgh Parallel Computing Centre) in Edinburgh and particularly Dr. Adam Carter for their help in both developing and parallelizing the code. The challenging comments and suggestions of the editor and two anonymous reviewers helped both in focusing the aim and in overcoming the strong limits of a previous version of the paper.
    Description: Published
    Description: 1102–1119
    Description: 3.1. Fisica dei terremoti
    Description: JCR Journal
    Description: restricted
    Keywords: Numerical solutions; ; Seismic anisotropy; ; Seismic attenuation ; Seismic tomography ; Wave scattering and diffraction ; Calderas ; 04. Solid Earth::04.06. Seismology::04.06.09. Waves and wave analysis
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 4
    Publication Date: 2017-04-04
    Description: Local and regional seismicity jointly recorded by two dense small aperture arrays, one installed at surface and one at 1.3 km depth, constitutes an interesting data set useful for coda observations. Applying array techniques to earthquakes recorded at the two arrays we measure slowness, backazimuth and correlation coefficient of the coherent coda wave signals in five frequency bands in the range 1–10 Hz. Slowness distributions show marked differences between surface and underground, with slow signals at surface (slowness greater than 1.0 s km−1) that are not observed underground. We interpret these coherent signals as surface waves produced by the interaction of body waves with the free surface characterized by rough topography. The backazimuth values measured in the frequency bands centred at 1.5 and 3 Hz are almost uniformly distributed between 0 and 360◦, while those measured at higher frequencies show different distributions between surface and underground. On the contrary, the earthquake envelopes show very similar coda shapes between surface and underground recordings, with an almost constant coda-amplitude ratio (between 4 and 8) in a wide frequency range.
    Description: Published
    Description: 367-371
    Description: 1.1. TTC - Monitoraggio sismico del territorio nazionale
    Description: JCR Journal
    Description: restricted
    Keywords: Coda waves ; Wave scattering and diffraction ; Wave propagation ; 04. Solid Earth::04.06. Seismology::04.06.09. Waves and wave analysis
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 5
    Publication Date: 2017-04-04
    Description: In this work, we present regional maps of the inverse intrinsic quality factor (Qi −1), the inverse scattering quality factor (Qs −1) and total inverse quality factor (Qt −1) for the volcanic environment of Deception Island (Antarctica). Our attenuation study is based on diffusion approximation, which permits us to obtain the attenuation coefficients for every single couple source-receiver separately. The data set used in this research is derived from an active seismic experiment using more than 5200 offshore shots (air guns) recorded at 32 onshore seismic stations and four ocean bottom seismometers. To arrive at a regional distribution of these values, we used a new mapping technique based on a Gaussian space probability function. This approach led us to create ‘2-D probabilistic maps’ of values of intrinsic and scattering seismic attenuation. The 2-D tomographic images confirm the existence of a high attenuation body below an inner bay of Deception Island. This structure, previously observed in 2-D and 3-D velocity tomography of the region, is associated with a massive magma reservoir. Magnetotelluric studies reach a similar interpretation of this strong anomaly. Additionally, we observed areas with lower attenuation effects that bear correlation with consolidated structures described in other studies and associated with the crystalline basement of the area. Our calculations of the transport mean-free path and absorption length for intrinsic attenuation gave respective values of ≈950 m and 5 km, which are lower than the values obtained in tectonic regions or volcanic areas such as Tenerife Island. However, as observed in other volcanic regions, our results indicate that scattering effects dominate strongly over the intrinsic attenuation.
    Description: This work has been partially supported by the Spanish project Ephestos, CGL2011–29499-C02–01, by the EU project EC-FP7 MEDiterranean SUpersite Volcanoes (MED-SUV), by the Basque Government researcher training program BFI09.277 and by the Regional project ‘Grupo de Investigaci´on en Geof´ısica y Sismolog´ıa de la Junta de Andaluc´ıa, RNM104.’ Edoardo del Pezzo was partly supported by DPC-INGV projects UNREST SPEED and V2 (Precursori).
    Description: Published
    Description: 1957-1969
    Description: 3.1. Fisica dei terremoti
    Description: 3.6. Fisica del vulcanismo
    Description: JCR Journal
    Description: restricted
    Keywords: Seismic attenuation; ; Seismic tomography ; Volcano seismology ; Wave scattering and diffraction ; Wave propagation ; 04. Solid Earth::04.06. Seismology::04.06.07. Tomography and anisotropy ; 04. Solid Earth::04.06. Seismology::04.06.08. Volcano seismology ; 04. Solid Earth::04.06. Seismology::04.06.09. Waves and wave analysis
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 6
    Publication Date: 2017-04-04
    Description: This article has been accepted for publication in Geophysical Journal International ©: The Authors 2003. Published by Oxford University Press on behalf of The Royal Astronomical Society. All rights reserved.
    Description: In this study, we modify and extend a data analysis technique to determine the stress orientations between data clusters by adding an additional constraint governing the probability algorithm. We apply this technique to produce a map of the maximum horizontal compressive stress (S_Hmax) orientations in the greater European region (including Europe, Turkey and Mediterranean Africa). Using the World Stress Map dataset release 2008, we obtain analytical probability distributions of the directional differences as a function of the angular distance, θ. We then multiply the probability distributions that are based on pre-averaged data within θ〈3° of the interpolation point and determine the maximum likelihood estimate of the S_Hmax orientation. At a given distance, the probability of obtaining a particular discrepancy decreases exponentially with discrepancy. By exploiting this feature observed in the World Stress Map release 2008 dataset, we increase the robustness of our S_Hmax determinations. For a reliable determination of the most likely S_Hmax orientation, we require that 90% confidence limits be less than ±60° and a minimum of three clusters, which is achieved for 57% of the study area, with small uncertainties of less than ±10° for 7% of the area. When the data density exceeds 0.8×10^-3 data/km2, our method provides a means of reproducing significant local patterns in the stress field. Several mountain ranges in the Mediterranean display 90° changes in the S_Hmax orientation from their crests (which often experience normal faulting) and their foothills (which often experience thrust faulting). This pattern constrains the tectonic stresses to a magnitude similar to that of the topographic stresses.
    Description: This work was supported by the DPC-INGV 2008-2010 S1 project, the EU-FP7 project “Seismic Hazard Harmonization in Europe” (SHARE; Grant agreement no. 226967), and project MIUR-FIRB "Abruzzo" (code: RBAP10ZC8K_003).
    Description: Published
    Description: 3.1. Fisica dei terremoti
    Description: 3.3. Geodinamica e struttura dell'interno della Terra
    Description: 4.2. TTC - Modelli per la stima della pericolosità sismica a scala nazionale
    Description: JCR Journal
    Description: partially_open
    Keywords: Neotectonics ; Seismicity and tectonics ; Fractures and faults ; Intra-plate processes ; Plate motions ; Dynamics: gravity and tectonics ; 04. Solid Earth::04.03. Geodesy::04.03.01. Crustal deformations ; 04. Solid Earth::04.04. Geology::04.04.09. Structural geology ; 04. Solid Earth::04.07. Tectonophysics::04.07.05. Stress ; 05. General::05.02. Data dissemination::05.02.99. General or miscellaneous
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 7
    Publication Date: 2017-04-04
    Description: macroseismic intensity data. A set of 2373 intensity observations from 15 earthquakes is analysed to calibrate non-parametric models for the source and attenuation with distance, the distance being computed from the instrumental epicentres located according to the International Seismological Centre (ISC) catalogue. In a second step, the non-parametric source model is regressed against different magnitude values (e.g. MLH, mb, MS, Mw) as listed in various instrumental catalogues. The reliability of the calibrated model is then assessed by applying the methodology to macroseismic intensity data from 29 validation earthquakes for which bothMLH and mb are available from the Central Asian Seismic Risk Initiative (CASRI) project and the ISC catalogue. An overall agreement is found for both the location and magnitude of these events, with the distribution of the differences between instrumental and intensity-based magnitudes having almost a zero mean, and standard deviations equal to 0.30 and 0.44 for mb and MLH, respectively. The largest discrepancies are observed for the location of the 1985, MLH = 7.0 southern Xinjiang earthquake, whose location is outside the area covered by the intensity assignments, and for the magnitude of the 1974, mb = 6.2 Markansu earthquake, which shows a difference in magnitude greater than one unit in terms of MLH. Finally, the relationships calibrated for the non-parametric source model are applied to assign different magnitude-scale values to earthquakes that lack instrumental information. In particular, an intensity-based moment magnitude is assigned to all of the validation earthquakes.
    Description: Published
    Description: 710-724
    Description: 5.1. TTC - Banche dati e metodi macrosismici
    Description: JCR Journal
    Description: restricted
    Keywords: seismicity and tectonics: seismic attenuarion; Asia ; 04. Solid Earth::04.06. Seismology::04.06.05. Historical seismology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 8
    Publication Date: 2017-04-04
    Description: We find that geodetic strain rate (SR) integrated with the knowledge of active faults points out that hazardous seismic areas are those with lower SR, where active faults are possibly approaching the end of seismic cycle. SR values estimated from GPS velocities at epicentral areas of large historical earthquakes in Italy decrease with increasing elapsed time, thus highlighting faults more prone to reactivation. We have modelled an exponential decrease relationship between SR and the time elapsed since the last largest earthquake, differencing historical earthquakes according to their fault rupture style. Then, we have estimated the characteristic times of relaxation by a non-linear inversion, showing that events with thrust mechanism exhibit a characteristic time (∼ 990 yr) about three times larger than those with normal mechanism. Assuming standard rigidity and viscosity values we can infer an average recurrence time of about 600 yr for normal faults and about 2000 yr for thrust faults.
    Description: Published
    Description: 815-820
    Description: 3.2. Tettonica attiva
    Description: JCR Journal
    Description: restricted
    Keywords: Seismic cycle ; Seismicity and tectonics ; Transient deformation ; 04. Solid Earth::04.07. Tectonophysics::04.07.07. Tectonics
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 9
    Publication Date: 2017-04-04
    Description: Until a decade ago, regression analyses for conversions between different types of magnitude were using only the ordinary least squares method,which assumes that the independent variable is error free, or the simple orthogonal regression method,which assumes equal uncertainties for the two variables. The recent literature became aware of the inadequacy of such approaches and proposes the use of general orthogonal regression methods that account for different uncertainties of the two regression variables. Under the common assumption that only the variance ratio η between the dependent and independent variables is known, we compared three of such general orthogonal regression methods that have been applied to magnitude conversions: the chi-square regression, the general orthogonal regression, and the weighted total least squares. Although their formulations might appear quite different, we show that, under appropriate conditions, they all compute almost exactly the same regression coefficients and very similar (albeit slightly different) formal uncertainties. The latter are in most cases smaller than those estimated by bootstrap simulation but the amount of the deviation depends on the data set and on the assumed variance ratio.
    Description: European Union project SHARE (Seismic Hazard Harmonization in Europe) within the ambit of Task 3.1‘European Earthquake Database’.
    Description: Published
    Description: 1135-1151
    Description: JCR Journal
    Description: restricted
    Keywords: Earthquake source observations; Statistical seismology ; 04. Solid Earth::04.06. Seismology::04.06.06. Surveys, measurements, and monitoring
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 10
    Publication Date: 2017-04-04
    Description: We used the SBAS DInSAR analysis technique to estimate the interseismic deformation along the western part of the Doruneh fault system (DFS), northeastern Iran. We processed 90 ENVISAT images from four different frames from ascending and descending orbits. Three of the ground velocity maps show a significant interseismic signal. Using a simple dislocation approach we model 2-D velocity profiles concerning three InSAR data set relative to the western part of the DFS, obtaining a good fit to the observations. The resulting model indicates that a slip rate of ∼5mmyr−1 accumulates on the fault below 10 km depth, and that in its western sector the Doruneh fault is not purely strike-slip (left-lateral) as in its central part, but shows a significant thrust component. Based on published geological observations, and assuming that all interseismic deformation is recovered with a single event, we can estimate a characteristic recurrence interval between 630 and 1400 yr.
    Description: Published
    Description: 622-628
    Description: 1.10. TTC - Telerilevamento
    Description: 3.2. Tettonica attiva
    Description: JCR Journal
    Description: restricted
    Keywords: Image processing; Satellite geodesy; Seismic cycle; Radar interferometry; Seismicity and tectonics; Continental tectonics: strike-slip and transform. ; 04. Solid Earth::04.03. Geodesy::04.03.01. Crustal deformations ; 04. Solid Earth::04.03. Geodesy::04.03.06. Measurements and monitoring ; 04. Solid Earth::04.03. Geodesy::04.03.07. Satellite geodesy ; 04. Solid Earth::04.04. Geology::04.04.09. Structural geology ; 04. Solid Earth::04.06. Seismology::04.06.03. Earthquake source and dynamics ; 04. Solid Earth::04.07. Tectonophysics::04.07.02. Geodynamics ; 04. Solid Earth::04.07. Tectonophysics::04.07.07. Tectonics
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 11
    Publication Date: 2017-04-04
    Description: In this study, we revisit the mechanism of the 1976 Friuli (NE Italy) earthquake sequence (main shocks M w 6.4, 5.9 and 6.0). We present a new source model that simultaneously fits all the available geodetic measurements of the observed deformation. We integrate triangulation measurements, which have never been previously used in the source modelling of this sequence, with high-precision levelling that covers the epicentral area. We adopt a mixed linear/non-linear optimization scheme, in which we iteratively search for the best-fitting solution by performing several linear slip inversions while varying fault location using a grid search method. Our preferred solution consists of a shallow north-dipping fault plane with assumed azimuth of 282◦ and accommodating a reverse dextral slip of about 1 m. The estimated geodetic moment is 6.6 × 1018 Nm (M w 6.5), in agreement with seismological estimates. Yet, our preferred model shows that the geodetic solution is consistent with the activation of a single fault system during the entire sequence, the surface expression of which could be associated with the Buia blind thrust, supporting the hypothesis that the main activity of the Eastern Alps occurs close to the relief margin, as observed in other mountain belts. The retrieved slip pattern consists of a main coseismic patch located 3–5 km depth, in good agreement with the distribution of the main shocks. Additional slip is required in the shallower portions of the fault to reproduce the local uplift observed in the region characterized by Quaternary active folding. We tentatively interpret this patch as postseismic deformation (afterslip) occurring at the edge of the main coseismic patch. Finally, our rupture plane spatially correlates with the area of the locked fault determined from interseismic measurements, supporting the hypothesis that interseismic slip on the creeping dislocation causes strain to accumulate on the shallow (above ∼10 km depth) locked section. Assuming that all the long-term accommodation between Adria and Eurasia is seismically released, a time span of 500–700 years of strain-accumulating plate motion would result in a 1976-like earthquake.
    Description: Published
    Description: 1279-1294
    Description: 3.1. Fisica dei terremoti
    Description: 3.2. Tettonica attiva
    Description: JCR Journal
    Description: restricted
    Keywords: seismic cycle; earthquake source observations ; 04. Solid Earth::04.03. Geodesy::04.03.01. Crustal deformations
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 12
    Publication Date: 2017-04-04
    Description: The peculiar source characteristics of long-period seismic events (time persistency of the source, low-frequency peaks in the source spectrum, absence of high-frequency radiation) prevent the formation of a definite high-frequency coda in the seismograms. In contrast, this is well formed in volcano–tectonic quakes. For this reason, the widely used duration magnitude scale that is based on the proportionality between the energy and the coda duration cannot be used for long-period estimation. In observatory practice, the long-period magnitude is sometimes estimated using the same duration magnitude scale, leading to confusing results. In this report, we show a new method to estimate the magnitude of long-period events that generally occur for volcanoes, with some application examples from data for Mt Etna (Italy), Colima Volcano (Mexico) and Campi Flegrei (Italy).
    Description: Published
    Description: 911-919
    Description: 3.1. Fisica dei terremoti
    Description: JCR Journal
    Description: restricted
    Keywords: Earthquake source observations; ; Volcano monitoring ; Volcano seismology ; 04. Solid Earth::04.06. Seismology::04.06.03. Earthquake source and dynamics ; 04. Solid Earth::04.06. Seismology::04.06.08. Volcano seismology ; 04. Solid Earth::04.06. Seismology::04.06.09. Waves and wave analysis
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 13
    Publication Date: 2017-04-04
    Description: The coda normalization method is one of the most used methods in the inference of attenuation parameters Qα and Qβ . Since, in this method, the geometrical spreading exponent γ is an unknown model parameter, the most part of studies assumes a fixed γ , generally equal to 1. However γ and Q could be also jointly inferred from the non-linear inversion of codanormalized logarithms of amplitudes, but the trade-off between γ and Q could give rise to unreasonable values of these parameters. To minimize the trade-off between γ and Q, an inversion method based on a parabolic expression of the coda-normalization equation has been developed. The method has been applied to the waveforms recorded during the 1997 Umbria-Marche seismic crisis. The Akaike criterion has been used to compare results of the parabolic model with those of the linear model, corresponding to γ = 1. A small deviation from the spherical geometrical spreading has been inferred, but this is accompanied by a significant variation of Qα and Qβ values. For almost all the considered stations, Qα smaller than Qβ has been inferred, confirming that seismic attenuation, in the Umbria-Marche region, is controlled by crustal pore fluids.
    Description: Published
    Description: 1726-1731
    Description: 3.1. Fisica dei terremoti
    Description: JCR Journal
    Description: restricted
    Keywords: Seismic attenuation ; coda normalization method ; 04. Solid Earth::04.06. Seismology::04.06.09. Waves and wave analysis
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  • 14
    Publication Date: 2017-04-04
    Description: For decades, many authors have attempted to define the location, geometry and kinematics of the causative fault for the 1908 December 28, M 7.1 earthquake that struck the Messina Straits between Sicily and Calabria (southern Italy). The coseismic displacement caused a predominant downwarping of the Straits and small land uplift away from it, which were documented by levelling surveys performed 1 yr before and immediately after the earthquake. Most of the source models based on inversion of levelling data suggested that the earthquake was caused by a low angle, east-dipping blind normal fault, whose upper projection intersects the Earth surface on the Sicilian (west) side of the Messina Straits.An alternative interpretation holds that the causative fault is one of the high-angle, west-dipping faults located in southern Calabria, on the eastern side of the Straits, and may in large part coincide with the mapped Armo Fault. Here, we critically review the levelling data with the aim of defining both their usefulness and limits in modelling the seismogenic fault. We demonstrate that the levelling data alone are not capable of discriminating between the two oppositely dipping fault models, and thus their role as a keystone for modellers is untenable. However, new morphotectonic and geodetic data indicate that the Armo Fault has very recent activity and is accumulating strain. The surface observations, together with appraisal ofmacroseismic intensity distribution, available seismic tomography and marine geophysical evidence, lends credit to the hypothesis that the Armo and possibly the S. Eufemia faults are part of a major crustal structure that slipped during the 1908 earthquake.
    Description: Published
    Description: 1025-1041
    Description: JCR Journal
    Description: restricted
    Keywords: Earthquake source ; Messina Straits ; 04. Solid Earth::04.03. Geodesy::04.03.01. Crustal deformations ; 04. Solid Earth::04.06. Seismology::04.06.03. Earthquake source and dynamics ; 04. Solid Earth::04.07. Tectonophysics::04.07.07. Tectonics ; 05. General::05.01. Computational geophysics::05.01.03. Inverse methods ; 05. General::05.01. Computational geophysics::05.01.04. Statistical analysis
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 15
    Publication Date: 2017-04-04
    Description: With the goal of constructing a homogeneous data set of moment magnitudes (Mw) to be used for seismic hazard assessment, we compared Mw estimates from moment tensor catalogues available online. We found an apparent scaling disagreement between Mw estimates from the National Earthquake Information Center (NEIC) of the US Geological Survey and from the Global Centroid Moment Tensor (GCMT) project. We suspect that this is the effect of an underestimation ofMw 〉 7.0 (M0 〉 4.0 × 1019 Nm) computed by NEIC owing to the limitations of their computational approach. We also found an apparent scaling disagreement between GCMT and two regional moment tensor catalogues provided by the ‘Eidgen¨ossische Technische Hochschule Z¨urich’ (ETHZ) and by the European–Mediterranean Regional Centroid Moment Tensor (RCMT) project of the Italian ‘Istituto Nazionale di Geofisica e Vulcanologia’ (INGV). This is probably the effect of the overestimation of Mw 〈 5.5 (M0 〈 2.2 × 1017 Nm), up to year 2002, and of Mw 〈 5.0 (M0 〈 4.0 × 1016 Nm), since year 2003, owing to the physical limitations of the standard CMT inversion method used by GCMT for the earthquakes of relatively low magnitude. If the discrepant data are excluded from the comparisons, the scaling disagreements become insignificant in all cases. We observed instead small absolute offsets (≤0.1 units) for NEIC and ETHZ catalogues with respect to GCMT whereas there is an almost perfect correspondence between RCMT and GCMT. Finally, we found a clear underestimation of about 0.2 units of Mw magnitudes computed at the INGV using the time-domain moment tensor (TDMT) method with respect to those reported by GCMT and RCMT. According to our results, we suggest appropriate offset corrections to be applied to Mw estimates from NEIC, ETHZ and TDMT catalogues before merging their data with GCMT and RCMT catalogues. We suggest as well to discard the probably discrepant data from NEIC and GCMT if other Mw estimates from different sources are available for the same earthquakes. We also estimate approximately the average uncertainty of individual Mw estimates to be about 0.07 magnitude units for the GCMT, NEIC, RCMT and ETHZ catalogues and about 0.13 for the TDMT catalogue.
    Description: European Union research project SHARE (Seismic Hazard Harmonization in Europe), within the ambit of Task 3.1 ‘European Earthquake Database’
    Description: Published
    Description: 1733-1745
    Description: JCR Journal
    Description: restricted
    Keywords: Earthquake source observations; Statistical seismology ; 05. General::05.01. Computational geophysics::05.01.04. Statistical analysis
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 16
    Publication Date: 2017-04-04
    Description: The complex volcanic system of Tenerife Island is known to have a highly heterogeneous character, as recently confirmed by velocity tomography.We present new information derived from intrinsic quality factor inverse maps (Qi −1), scattering quality factor inverse maps (Qs −1) and total quality factor inverse maps (Qt −1) obtained for the same region. The data set used in this work is the result of the analysis of an active seismic experiment carried out, using offshore shots (air guns) recorded at over 85 onshore seismic stations. The estimates of the attenuation parameters are based on the assumption that the seismogram energy envelopes are determined by seismic energy diffusion processes occurring inside the island. Diffusion model parameters, proportional to Qi −1 and to Qs −1, are estimated from the inversion of the energy envelopes for any source–receiver couple. They are then weighted with a new graphical approach based on a Gaussian space probability function, which allowed us to create ‘2-D probabilistic maps’ representing the space distribution of the attenuation parameters. The 2-D images obtained reveal the existence of a zone in the centre of the island characterized by the lowest attenuation effects. This effect is interpreted as highly rigid and cooled rocks. This low-attenuation region is bordered by zones of high attenuation, associated with the recent historical volcanic activity. We calculate the transport mean free path obtaining a value of around 4 km for the frequency range 6–12 Hz. This result is two orders of magnitude smaller than values calculated for the crust of the Earth. An absorption length between 10 and 14 km is associated with the average intrinsic attenuation parameter. These values, while small in the context of tectonic regions, are greater than those obtained in volcanic regions such as Vesuvius or Merapi. Such differences may be explained by the magnitude of the region of study, over three times larger than the aforementioned study areas. This also implies deeper sampling of the crust, which is evidenced by a change in the values of seismic attenuation. One important observation is that scattering attenuation dominates over the intrinsic effects, Qi being at least twice the value of Qs.
    Description: This work has been partially supported by the Spanish project Ephestos, CGL2011-29499-C02-01, by the EU project EC-FP7 MEDiterranean SUpersite Volcanoes (MED-SUV), by the Basque Government researcher training program BFI09.277 and by the Regional project ‘Grupo de Investigaci´on en Geof´ısica y Sismolog´ıa de la Junta de Andaluc´ıa, RNM104’. EdP has been partly supported by DPC-INGV projects UNREST SPEED and V2 (Precursori).
    Description: Published
    Description: 1942-1956
    Description: 3.1. Fisica dei terremoti
    Description: 3.3. Geodinamica e struttura dell'interno della Terra
    Description: JCR Journal
    Description: restricted
    Keywords: Seismic attenuation ; ; Seismic tomography; ; Volcano seismology ; Wave propagation. ; 04. Solid Earth::04.06. Seismology::04.06.07. Tomography and anisotropy ; 04. Solid Earth::04.06. Seismology::04.06.08. Volcano seismology ; 04. Solid Earth::04.06. Seismology::04.06.09. Waves and wave analysis
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 17
    Publication Date: 2017-04-04
    Description: The central United States is a region for which observational studies have indicated an increase in heavy rainfall. This study uses projections of daily rainfall from 20 state-of-the-art global climate models and one scenario (RCP 8.5) to examine projected changes in extreme rainfall. Analyses are performed focusing on trends in the 90th and 99th percentiles of the daily rainfall distributions for two periods (2006-2045 and 2046-2085). The results of this study indicate a large increase in extreme rainfall in particular over the northern part of the study region, with a much less clear signal over the Great Plains and the states along the Gulf of Mexico.
    Description: Published
    Description: 200-205
    Description: 3.7. Dinamica del clima e dell'oceano
    Description: JCR Journal
    Description: embargoed_20160624
    Keywords: precipitation ; extreme events ; cmip5 ; climate change ; 01. Atmosphere::01.01. Atmosphere::01.01.02. Climate
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 18
    Publication Date: 2017-04-04
    Description: The study of the health of a building connects humanistic and scientific research, and a complete characterization can be achieved by integrating all the available historical documentation, architectural and metrological studies, as well as laboratory and in situ analyses of the materials. A contactless, non-invasive surveying technique such as terrestrial laser scanning (TLS) allows the acquisition of dense and accurate geometric and radiometric (electromagnetic measurements such as signal intensity) information about the observed surface of the building, which can be easily integrated with data provided by high-resolution digital imaging. The early Christian Cantalovo church was surveyed for the first time in April 2011, by means of the ILRIS-3D ER very long range scanner. The second and last survey was performed in June 2012, after the main shocks of the Emilia earthquake seismic sequence. A very long range instrument is suitable for fast, simple and independent measurements, due to its technical characteristics and, for this reason, is easily usable for accurate surveying in emergency conditions. The main results are obtained by applying a data analysis strategy based on the creation of TLS-based morphological maps computed as point-to-primitive differences, which allow the creation of a deformation map and its evolution in time.
    Description: Published
    Description: 703-716
    Description: 1IT. Reti di monitoraggio e Osservazioni
    Description: JCR Journal
    Description: restricted
    Keywords: Terrestrial Laser Scanning ; Deformation ; Earthquake ; Ancient Building ; Procedure Standardization ; 04. Solid Earth::04.03. Geodesy::04.03.06. Measurements and monitoring
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 19
    facet.materialart.
    Unknown
    Wiley-Blackwell
    In:  EPIC3Methods for the study of marine benthos, Methods for the study of marine benthos, West Sussex, Wiley-Blackwell, 78 p., pp. 329-407, ISBN: 978-0-470-67086-6
    Publication Date: 2014-04-15
    Description: Traditionally, the rationale for energy flow studies was found in the elucidation of energy transfers within ecosystems or within the practical context of the rational management of resources, but it is now widely recognised that its scope embodies almost all biology, including the field of population dynamics and evolutionary studies. Here, we first describe conceptual models of energy and mass budgets at the level of the individual, the population and the community. However, the emphasis is on the next part in which the practicalities of measuring the various components of these budgets in the marine zoobenthic community are described in detail. The measurement of, among other things, ingestion, absorption, defaecation, excretion, growth, reproduction and respiration is discussed. Finally, attention is paid to the estimation of secondary production of benthic populations and to community-level modelling methods.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Inbook , peerRev
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  • 20
    Publication Date: 2022-05-24
    Description: This article focuses on the Montello thrust system in the Eastern Southern Alps as a potential seismogenic source. This system is of particular interest because of its lack of historical seismicity. Nevertheless, the system is undergoing active deformation. We developed a finite-element model using visco-elasto-plastic rheology. The free parameters of the model (essentially, the locking status of the three thrusts included in the study), were constrained by matching the observed horizontal GPS and vertical levelling data. We show that the amount of interseismic fault locking, and thus the seismic potential, is not necessarily associated with the fastest-slipping faults. More specifically, the locked Bassano thrust has a greater seismic potential than the freely slipping Montello thrust. The findings suggest that faults with subtle evidence of Quaternary activity should be carefully considered when creating seismic hazard maps.
    Description: Published
    Description: 221-227
    Description: 3.2. Tettonica attiva
    Description: 3.3. Geodinamica e struttura dell'interno della Terra
    Description: JCR Journal
    Description: open
    Keywords: interseismic deformation ; Montello thrust ; Southern Alps ; 04. Solid Earth::04.04. Geology::04.04.01. Earthquake geology and paleoseismology ; 04. Solid Earth::04.04. Geology::04.04.06. Rheology, friction, and structure of fault zones ; 04. Solid Earth::04.04. Geology::04.04.09. Structural geology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 21
    Publication Date: 2022-05-24
    Description: The broad availability of geodetic measurements for the Mw 6.3 April 6th 2009 L’Aquila earthquake allowed an unprecedented description of the co- and post-seismic ground deformations, leading to the definition of the Paganica fault geometry and kinematics. Through DInSAR, we found, in a wide area of 20 kilometres on the Paganica hangingwall, a further displacement up to 7 cm, which might have occurred in the earthquake proximity. In this study, we explore the possibility of the co-, post- and pre-seismic alternative scenarios. Although our data are not sufficient to undoubtedly prove that this signal occurred before the main event, this seems to be the most likely hypothesis based on tectonics constraints and image acquisition times. The nature of this deformation remains unclear, but we speculate that deep fluids played a role. These results can drive ad hoc requirements for future space-based missions and design of the GPS network.
    Description: Published
    Description: 343–351
    Description: 1.10. TTC - Telerilevamento
    Description: JCR Journal
    Description: restricted
    Keywords: InSAR ; L'Aquila earthquake ; GPS ; Anomalous signature ; 04. Solid Earth::04.06. Seismology::04.06.03. Earthquake source and dynamics
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 22
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The DNA-ligand interactions of a series of phenanthridinium compounds with various combinations of amino, azido, and hydrogen functions at R3 and R8 were examined to determine the contribution of these particular substituents to ligand binding. Spectrophometric titrations using calf-thymus DNA emphasized the importance of amino substituents in conferring a strong interaction and also stabilizing the interaction against reversal by high ionic strength. Although azido groups were not as effective as amino groups, they were more effective than hydrogen functions in enhancing the interaction. Furthermore, an amino substitution at R8 was consistently, though only slightly, more effective than an amino substituent at R3. The results from superhelical titrations using plasmid pBR322 DNA demonstrated that analogs with amino and/or azido functions at both R3 and R8 produced the greatest unwinding, and compounds with an amino or an azido function at R8 proved more effective than those with the corresponding amino or azido substituent at R3.
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  • 23
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The magnetic shielding constant of the 31P nucleus of the dimethylphosphate anion is calculated by an ab initio method for different values of the torsion angles about the PO ester bond and different orientations of the methyl groups. The results obtained tend to show that both types of conformational parameters contribute to the value of σ31P. The largest shielding is obtained when the methyl groups are staggered with respect to the PO bond; the smallest, for the eclipsed arrangement. Measurements carried out on the 16 deoxyribodinucleoside monophosphates show that in the majority of cases σ31P is shifted toward lower field for the dimers having large values of 3JPH3′ and 3JPH5′(5″). The theoretical results are discussed in relation to experimental data for polynucleotides and nucleic acids.
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  • 24
    Electronic Resource
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    Biopolymers 23 (1984), S. 471-491 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The optical modes of DNA that displace one strand against the other are modeled by the motion of an oscillator in an asymmetric quartic double-well potential whose minima represent the A- and B-conformations. Assuming that the variation of the polarizability during vibration derives mainly from the tilting of the base rings relative to the helix axis, the total polarizability tensor is shown to possess approximately ellipsoidal symmetry and to depend nonlinearly on the instantaneous displacement of the two strands. The Raman spectrum of a collection of randomly oriented molecules is calculated. It consists of one or more peaks with characteristic shape. The depolarization ratio is 3/4, independent of molecular conformation and frequency. The results are discussed in the light of existing experimental and theoretical information.
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  • 25
    Electronic Resource
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    Biopolymers 23 (1984), S. 511-536 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Using the semiempirical potential functions, conformational energies of the model compounds DMP-, d(pCp), d(pGp), and d(pCpGpCp) are calculated, and the B → Z transition is discussed along the pseudorotational path of the sugar ring. For dimethylmonophosphate anion, DMP-, the energy contour map is presented and the stabilities of the phosphodiester conformations discussed. For the sugar ring without the base attached, the minimum energies for each sugar-puckering form are calculated along the pseudorotational path. The energy barrier of the interconversion between the C(3′)-endo form and the C(2′)-endo form is calculated to be about 2.0 kcal/mol. From the conformational energy calculations of the interconversions of mononucleoside diphosphates, d(pCp) and d(pGp), between the C(2′)-endo conformer and the C(3′)-endo conformer, the purine sugar segment is known to be more convertible than the pyrimidine sugar segment. The results also support the finding that the pseudorotational transition occurred with the O(1′)-endo form more easily than with the O(1′)-exo form. Based on the results of conformational studies of DMP-, d(pCp), and d(pGp), a topological transition of the handedness of the model compound, d(pCpGpCp), is studied. The left-handed Z-form is found to be less stable by about 8.5 kcal/mol than is the right-handed B-form. The energy barrier of the Z → B transition is calculated to be about 17.4 kcal/mol. The contributions of the electrostatic and nonbonded energies to the energy barrier are discussed in connection with the conformation changes of the model compound, d(pCpGpCp).
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  • 26
    Electronic Resource
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    Biopolymers 23 (1984), S. 593-599 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The dielectric properties of aqueous solutions of DNA were measured at frequencies ranging from 0.1 to 12 GHz. The results are analyzed using the Maxwell mixture theory and yield a value for the hydration of the DNA of about 0.4 g/g, which is in the range observed in other investigations. No evidence was found for an additional absorption effect at microwave frequencies, which has been predicted to occur in certain DNA analogs due to the vibrational excitation of the double helix by the applied microwave field.
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  • 27
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Self-association of substance P and its C-terminal partial peptide sequences was studied by CD, quasi-electric light scattering, and sedimentation experiments. CD spectra of these peptides are strongly influenced by self-association. They exhibit strong characteristic negative ellipticities, suggesting the formation of a presumably B-type ordered structure. The tendency to form multimers depends on chain length and constitution and has its maximum at the octapeptide (SP 8). The peptide multimers have a broad distribution of sizes in the range of 30- and 800-nm diameter. Subdivision of this distribution into two size classes gives mean diameters of 60-100 nm (predominating)/200-800 nm for substance P and 30-50 nm/200-800 nm for SP 8 multimers.
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  • 28
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    Biopolymers 23 (1984), S. 819-829 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 13C-nmr chemical shifts of backbone carbonyl and side-chain β-carbons in polypeptides provide structural information. Recent utilization of substituent effects on 13C-nmr chemical shifts (principally γ-effects) has permitted the rationalization of their sequence and conformation dependence when observed in linear, flexible polypeptides. In this report, we apply the γ-effect method to study the 13C-nmr chemical shifts observed in solution and in the solid state for the backbone carbonyl and side-chain β-carbons in conformationally rigid polypeptides, which are usually cyclic. As found previously for flexible, linear polypetides, the relative 13C-nmr chemical shifts observed for the backbone carbonyl and side-chain β-carbons in conformationally rigid polypeptides are predictable from knowledge of their peptide residue sequence (primary structure) and conformation (secondary structure) via the γ-effect method.
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  • 29
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    Biopolymers 23 (1984), S. 847-852 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 30
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The CD spectra of the peptides Boc-X-(Aib-X)n-OMe (n = 1, 2, 3) and Boc-(Aib-X)5-OMe, where X = L-Ala or L-Val have been examined in several solvents. The X = Ala and Val peptides behave similarly in all solvents, suggesting that the Aib residues dominate the folding preferences of these peptides. The decapeptides adopt helical conformations in methanol and trifluoroethanol, with characteristic negative CD bands at 222 and 205 nm. In the heptapeptides, similar spectra with reduced intensities are observed. Comparison with nmr studies suggest that estimates of helical content in oligopeptides by CD methods may lead to erroneous conclusions. The pentapeptides yield solvent-dependent spectra indicative of conformational perturbations. Peptide association in dioxane results in an unusual spectrum with a single negative band at 210 nm for the decapeptides. Disaggregation is induced by the addition of methanol or water to dioxane solutions. Aggregation of the heptapeptides is less pronounced in dioxane, suggesting that a critical helix length may be necessary to promote association stabilized by helix dipole-dipole interactions.
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  • 31
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    Biopolymers 23 (1984), S. 831-841 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The interaction of poly-5-bromouridylic acid [poly(BU)] with adenosine and 9-methyladenine was studied by equilibrium dialysis, optical melting, and microcalorimetry. The stacking free energy, ω, was estimated as -17.6 kJ/mol for adenosine·2poly(BU) and -18.8 kJ/mol for 9-methyladenine·2poly(BU) from the binding isotherms constructed from equilibrium dialysis results. The binding isotherms constructed from a series of melting curves also gave ω values for adenosine·2poly(BU). The thermal stability of the complex depends on monomer concentration, and the partial molar enthalpies of the complex formation at the midpoint of the transition were evaluated from the Tm coefficients as a function of free monomer concentration. The values of -92.0 and -90.4 kJ/mol were obtained for adenosine·2poly(BU) and 9-methyladenine·2poly(BU) in 0.4M NaCl-0.02M Na-cacodylate-5 × 10-4M EDTA (pH 7.0), respectively. Microcalorimetric measurements provided lower integral heats of reaction values for these complexes, i.e., -73.2 kJ/mol for adenosine·2poly(BU) and -71.5 kJ/mol for 9-methyladenine·2poly(BU). A comparison with a polyribouridylic acid system provided a quantitative understanding of a stabilization by bromination in terms of thermodynamic parameters.
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  • 32
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    Biopolymers 23 (1984) 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 33
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    Biopolymers 23 (1984), S. 191-194 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 34
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    Biopolymers 23 (1984), S. 257-270 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A molecular-dynamics simulation was used to carry out an introductory study of the hydration of a section of a rigid single A- or B-DNA helix with one Na+ counterion per nucleotide. Four Na+ ions and four nucleotides and periodic boundary conditions were used to mimic an infinite helix. The atoms of the helix and the Na+ ions were assumed to be Lennard-Jones spheres that also carried charges. Stillinger four-point charge model water molecules were used. We carried out five calculations, for 26 and 46 water molecules in B-DNA and 20, 32, and 46 in A-DNA fragments. The arrangements of the Na+ ions are found to have some similarities to those obtained by Clementi and Corongiu. In the calculations with 46 water molecules, we found that two Na+ ions can be bridged by about two water molecules and form a hydrated bound pair, which in turn forms a bridge between the guanine N7 and a near phosphate group. These bound pairs may be important in stabilizing the helix structure of DNA molecules.
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  • 35
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    Biopolymers 23 (1984), S. 313-323 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ethylurea was used to weaken hydrophobic interactions during collagen fibrillogenesis in vitro. Intact and enzyme-digested type I collagen was studied. In all preparations, ethylurea decreased the extent and rate of fibril formation, inhibition being greatest in the enzyme-digested collagens. With intact collagen (and probably also with carboxypeptidasedigested collagen), there was no evidence the ethylurea altered the mechanism of fibril growth; in pepsin-digested collagen, however, the growth mechanism was altered by ethylurea, possibly reflecting a conformational change of the “hydrophobic cluster” in the C-terminal peptide. Such a structural change could occur in a hydrophobic environment once the distal portion of the C-terminal peptide (presumed to be essential for its structural stability) is removed by pepsin. The results further emphasize the importance of hydrophobic interactions in collagen fibril nucleation and growth in vitro.
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  • 36
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    Biopolymers 23 (1984) 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 37
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We report the crystal-structure analysis of a complex involving the drug proflavine and the two dinucleoside monophosphates cytidylyl-3′,5′-adenosine (CpA) and uridylyl-3′,5′-guanosine (UpG). The planar drug molecule is intercalated between C⃛G and U⃛A Watson-Crick base pairs, in a double-helical fragmentlike arrangement. Sugar conformations at the 3′-ends of the two strands are dissimilar. The backbone conformations fall within the ranges of values noted previously for dinucleoside intercalation complexes, and some correlations involving these are noted. The separation of the two strands and the basic twist angle of 16°, compared to other reported complexes, are indicative of sequence-dependent effects of the drug binding.
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  • 38
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    Biopolymers 23 (1984), S. 1057-1066 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Helical hydrophobic moment ratios, 〈h2〉/〈H2〉, have been evaluated for 34 polypeptides under conditions where the helix content is dictated solely by the short-range interactions operative in aqueous media. The mean-square helical hydrophobic moment is denoted by 〈h2〉, and 〈H2〉 is the averaged of the squared hydrophobicites. This ratio would be one in absence of any correlation in the hydrophobicities of amino acid residues in helices. The 〈h2〉/〈H2〉 tend to be substantially larger than values of the analogous ratio formulated for the mean-square dipole moments of typical synthetic polymers. For 24 of the 34 polypeptide chains considered, 〈h2〉/〈H2〉 is found to be greater than one, indicating a tendency to form helices with amphiphilic character. The ratio is exceptionally large in the case of the δ-hemolysins. It is also large for two other surface-active peptides, for two of the four apolipoproteins examined, and for myohemerythrin. A much smaller 〈h2〉/〈H2〉 is found for melittins. If melittins is to form helices with large 〈h2〉/〈H2〉, the configurational statistics must be governed by effects in addition to those short-range interactions that occur when water is the solvent.
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  • 39
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    Biopolymers 23 (1984) 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 40
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Conformational-energy computations have been carried out for the N-acetyl-N′-methylamides of the Pro-Pro, Pro-Gly, and Gly-Pro dipeptides and of the Pro-Pro-Gly-Pro tetrapeptide, serving as models for the conformational analysis of single-stranded poly(Gly-Pro-Pro). The probability of β-bend formation for the Pro-Gly sequence is very high, viz., 0.72 for the terminally blocked Pro-Gly dipeptide, and rises to 0.86 in the tetrapeptide. The β-bend conformations of the Pro-Gly sequence are of low energy in single-chain poly(Gly-Pro-Pro) as well. The β-bend structure had been postulated earlier to be a requirement for post-translational proline hydroxylation during the biosynthesis of collagen. The present results lend strong support to this proposal by demonstrating that the β-bend structure is energetically favorable and hence can be accommodated easily in single-stranded poly(Gly-Pro-Pro).
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  • 41
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The interaction of Cu(II) with the protamine scylliorhinine Z3 was studied by means of CD measurements. At a 1:1 molar ratio, three complexes are formed. (1) In the pH range 5-6.5, the results suggest the formation of a five-membered chelate ring through the coordination of two nitrogen atoms, the N-terminal and the contiguous peptide nitrogen. (2) At pH ≥ 6.4, there is involvement of the lateral NH2 group of Arg; at pH 6.5-8, the formation of a 3N cupric complex is strongly suggested. (3) At pH ≥ 8, results indicate the formation of a 4N complex as a major species in Cu(II)-Z3 solution. The transformation from a 2N to a 3N complex, and from a 3N to a 4N complex was followed with the help of the σ(αNH2) → Cu(II) charge-transfer dichroic band transitions. At Cu(II):Z3 molar ratios ≥ 2 and at pH 〉 8, a new dichroic band appears, indicating the involvement of the tyrosine residue side chain in metal-ion complexation.
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  • 42
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Studies of the optical birefringence of solutions of acid-soluble collagen from rat-tail tendon at 22°C in the pH range 1.0-6.0 show that collagen exhibits an isotropic to mesophase transition only between pH 2.4 and 3.0 at 10% weight concentration. Such liquid crystalline order is probably essential for the orientation of collagen in a magnetic field. When solutions of neutral salt-soluble collagen were precipitated at pH 7.0 by warming to 37°C (“heat gelling”) in a magnetic field of ca. 20 kG, the resulting fibrils wee oriented perpendicular to the direction of the field. Heat gelling is shown to be a useful technique for maintaining the orientation induced in precursor solutions even after the sample is removed from the magnetic field.
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  • 43
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    Biopolymers 23 (1984), S. 1295-1306 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Polyamines are ubiquitous cellular components that interacts strongly with nucleic acids. Although many of the interactions of oligocations with DNA can be rationalized with polyelectrolyte theories that treat counterions as point charges, some structural effects are evident. We have explored the effects of polyamine structure on one important aspect of DNA behavior, its thermal melting transition, by using a series of spermidine analogs NH3(CH2)3NH2(CH2)nNH33+, where n varies from 2 to 8 [Jorstad et al. (1980) J. Bacteriol. 141, 456-463]. For spermidine itself, n = 4. Tm for calf-thymus DNA in the presence of each of these analogs, and the other naturally occurring polyamines putrescine2+ and spermine4+, was measured over a wide range of NaCl concentrations and polyamine:DNA phosphate ratios. There are modest, but significant structural effects. particularly with the shorter n = 2 and 3 derivatives, whose geometry my not allow full electrostatic interaction with DNA. Longer analogs, on the other hand, are not much different than spermidine in their effects on Tm, though a moderate maximum occurs at n = 5. Since polyamines are important in the cellular condensation and packaging of DNA, we have also delineated the critical polyamine and salt concentrations that are required to cause DNA aggregation. Here again, there are significant structural effects, which are not easily rationalized by any simple considerations.
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  • 44
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    Biopolymers 23 (1984), S. 1315-1323 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The observed difference between the CD spectrum of B-DNA mononucleosomes and that of free DNA has been attributed to the tertiary structure of the core DNA. This conjecture is tested here. The tertiary structure is modeled as an optical system consisting of two identical, planar, linear retarders rotated with respect to each other. The retarders have the same linear birefringence and linear dichroism as oriented B-DNA. Such an optical system is circularly dichroic. The predicted wavelength dependence and magnitude of the CD are in reasonably close agreement with the experimental results.
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  • 45
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    Biopolymers 23 (1984), S. 1367-1377 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The absorption and CD spectra of the complexes of poly(L-arginine) (PLA) and azo dyes have been measured in aqueous solution. On complexation, Blue-shifted additional absorption bands were observed. In the wide pH 4-11 range, induced CD was observed at the visible wavelengths corresponding to the blue-shifted absorption bands. The induced CD arose from the dimeric dye molecules bound to PLA in the α-helical structure. When a modified analysis of induced CE is made by the excition chirality method, the origin of the induced CD can be assigned to the dipole coupling. The PLA-dye complexes showed the counterlockwise (negative, S) chirality of the transition dipole moments of dyes.
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  • 46
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    Biopolymers 23 (1984), S. 1347-1365 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ionization properties of the tyrosyl groups of bovine plasma albumin in various conformational states - the native state (N), the two acid states (F and E), and the state (B) stable at slightly alkaline pH - were studied by means of a stopped-flow-pH-jump technique. The technique allows us to obtain the tyrosyl titration curve in a conformational state that is unstable in the pH region of the titration. The pH jumps from the N and B states to various alkaline pH's, where the tyrosines ionize to bring about a time-dependent increase in absorption at 296 nm, indicating that a number of the tyrosines buried initially become susceptible to ionization as a result of the alkaline transition occurring above pH 10.8. Extrapolation of the observed absorption change to zero time gives a spectrophotometric titration curve in the initial conformational state. Only 30-401% of the 19 tyrosines of the protein can ionize both in the N and the B state at pH 12. The pH jumps from the F and E states, on the other hand, give a decrease in absorption between pH 9 and 11.7, indicating that the tyrosyl groups initially exposed are remarked by refolding after the pH jumps, and the zero-time titration curves show that essentially all the tyrosyl groups ionize normally in these acid states. The results are discussed in relation to the known results of the tyrosyl exposure of the protein measured by other techniques, and the consistency among them demonstrates the effectiveness of the pH-jump titration method. Hydrogen bonding between the abnormal tyrosyl and carboxylate groups as a mechanism to stabilize native albumin is suggested from characteristics of the alkaline transition, which also involves the exposure of the tyrosyl groups, and from the tyrosyl titration curves in the native and acid states.
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    Biopolymers 23 (1984), S. 1137-1139 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 48
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    Topics: Chemistry and Pharmacology
    Notes: Two series of peptides with hydrophobic side chains, Nps-(L-Leu-L-Leu-L-Ala)n-OEt and Nps-(L-Met-L-Met-LLeu)n-OEt (n = 1-6), were synthesized by the fragment condensation method using dicyclohexylcarbodiimide in the presence of N-hydroxysuccinimide. The tripeptide fragments were prepared stepwise by dicyclohexylcarbodiimide-mediated reaction of Nps-amino acids, which were synthesized by an improved rapid procedure.
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  • 49
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    Biopolymers 23 (1984), S. 1457-1463 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The dielectric properties of sonicated calf-thymus DNA sodium salt in aqueous solutions have been studied in the frequency range from 40 MHz to 2 GHz by time domain spectroscopy (TDS). A dielectric dispersion not previously reported was found, which has a characteristic frequency of about 150 MHz. All of the dielectric parameters are insensitive to the size of DNA fragments and to helix-to-coil transitions. The study of this dispersion as a function of DNA concentration and temperature allows us to conclude that it may be due to counterion fluctuation on short sections, probably in a direction transverse to the macromolecular axis.
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    Biopolymers 23 (1984), S. 1465-1479 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The oxidation of L-adrenaline (epinephrine) in the presence of [Fe(tetpy)(OH)2]+ ions bound to poly(L-glutamate) or to poly(D-glutamate) has been studied at pH 7 (tetpy = 2,2′:6′,2″:6″,2‴-tetrapyridyl). Electron transfer from the substrate to the central metal ion, which is rate-determining, proceeds stereoselectively only when extensive and possibly specific interactions between adrenaline and the peptidic residues of the ordered polymer in the close environment of the active sites occur. This ensures different steric constraints for the two diastereomeric precursor complexes, which are thought to affect the separation and orientation of the redox centers differently, leading to the observed phenomena. Some data on the catalytic oxidation of L-dopa(3,4-dihydroxyphenylalanine) are also presented, showing stereoselective effects similar to those observed with L-adrenaline, despite the diverse distance of the chiral center from the reacting OH groups. A mechanistic interpretation of the results is discussed in the light of a few general considerations concerning the structural features of the catalytic systems. Possible explanations for the finding that stereoselectivity occurs at the expense of the efficiency of catalysis are also considered.
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    Biopolymers 23 (1984), S. 1917-1930 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Solution-phase Raman spectra of diastereomeric alanyl dipeptides, D-Ala-L-Ala and L-Ala-L-Ala, and various mono- and dideuterated isotopomers in H2O and D2O, are reported. Spectral differences between the diastereomeric forms are interpreted, using the Raman analog of the coupled oscillator model, in terms of geometric differences between certain vibrations in the diastereomeric forms. Application of the coupled-oscillator formalism allows the determination of a dihedral angle between the coupling vibrations. The results are compared with vibrational coupling employed by other workers in the determination of the vibrational spectra of peptides.
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    Biopolymers 23 (1984), S. 1951-1960 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The conformational equilibria of five β-cellobiose conformers have been studied theoretically in 10 solvents. The stability of the conformers in dilute solution has been compared by using the method that has already been tested for 2-methoxytetrahydropyran, β-maltose, and D-glucose. The solvation energy consists of electrostatic, dispersion, and cavity terms which have been determined from the properties of the solute calculated by the PCILO quantum-chemical method and physicochemical properties of the solvents. The calculated abundance of conformers depends on the solvent (e.g., in dioxane C1:C2:C3:C4:C5 = 60.0:34.1:2.9:2.0:1.0; in dimethylsulfoxide, 75.5:22.1:1.8:0.5:0.2; and in water, 82.2:16.2:1.3:0.2:0.1). The results obtained indicate that the preponderant conformer in the aqueous solution is similar to the one adopted by β-cellobiose in the crystalline form. The role of individual contributions to the solvation energy have been analyzed. Based on the determined abundance of conformers, averaged residual optical activity and nmr parameters have been calculated and compared with observable properties. The marked differences observed between solvent-induced conformational changes for β-cellobiose and β-maltose have been discussed from the viewpoint of the solubility of the cellulose.
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  • 53
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    Topics: Chemistry and Pharmacology
    Notes: With a view to understanding the role of hydrogen bonds in the recognition of nucleic acids by proteins, hydrogen bonding between the bases and base pairs of nucleic acids and the amino acids (Asn, Gln, Asp and Glu, and charged residues Arg+, Glu-, and Asp-) has been studied by a second-order perturbation theory. Binding energies have been calculated for all possible configurations involving a pair of hydrogen bonds between the base (or base pair) and the amino acid residue. Our results show that the hydrogen bonding in these cases has a large contribution from electrostatic interaction. In general, the charged amino acids, compared to the uncharged ones, form more stable complexes with bases or base pairs. The hydrogen-bond energies are an order of magnitude smaller than the Coulombic interaction energies between basic amino acids (Lys+, Arg+, and His+) and the phosphate groups of nucleic acids. The stabilities of the complexes of amino acids Asn, Gln, Asp, and Glu with bases are in the order: G-X 〉 C-X 〉 A-X U-X or T-X, and G · C-X 〉 A · T(U)-X, where X is one of these amino acid residues. It has been shown that Glu- and Asp- can recognize guanine in single-stranded nucleic acids; Arg+ can recognize G · C base pairs from A · T base pairs in double-stranded structures.
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  • 54
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    Biopolymers 23 (1984) 
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    Keywords: Chemistry ; Polymer and Materials Science
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  • 55
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    Biopolymers 23 (1984), S. 2195-2210 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The effect of histone H1 on the conformation and stability of control and acetylated HeLa high-molecular-weight chromatin that had been stripped of H1 and nonhistone proteins was compared by circular dichroism (CD) and thermal denaturation measurements. Two different preparations of H1, originating from rat thymus and chicken erythrocyte, were used in the reconstitution studies. The control and acetylated stripped chromatin had identical CD and thermal denaturation properties, as did their reconstitutes with rat thymus H1. Reconstitutes of the two chromatins with chicken erythrocyte H1 had similar CD properties, but thermal denaturation studies showed that the acetylated reconstitute was destabilized compared to the control reconstitute. Reconstitutes of both chromatins with chicken erythrocyte H1 had a more condensed and stabilized structure than the reconstitutes with rat thymus H1. Thus, acetylation caused a decrease in the stability of chromatin in the presence of erythrocyte H1, but more marked differences were detected in the structure of stripped chromatin after reassociation with different H1 preparations.
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  • 56
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    Topics: Chemistry and Pharmacology
    Notes: Human fibrinogen was treated with thrombin in the presence of fibrinoligase (Factor XIIIa) and calcium ion at pH 8.5, ionic strength 0.45, and the ensuing polymerization was interrupted at various time intervals (t) both before and after the clotting time (tc) by solubilization with a solution of sodium dodecyl sulfate and urea. Aliquots of the solubilized protein were subjected to gel electrophoresis on polyacrylamide gels after disulfide reduction by dithiothreitol and on agarose gels without reduction. The degree of γ-γ ligation was determined from the former. The latter provided the size distribution of ligated end-to-end sequences produced by splitting the ligated staggered overlapped oligomers down the middle, for degrees of polymerization, x, from 1 to 10. Addition of fibrinoligase (in which the activating thrombin had been inhibited by p-nitrophenyl-p′-guanidinobenzoate, NPGB) to Kabi fibrinogen showed the presence of small amounts of ligatable oligomers. Addition of fibrinoligase to a polymerizing mixture in which the action of thrombin had been stopped before clotting by NPGB produced the same distribution of ligated end-to-end sequences that was obtained when fibrinoligase was originally present, at least for reaction times up to 0.7 of the clotting time. The kinetics of γ-γ ligation by fibrinoligase acting on a polymerized mixture stabilized by NPGB were followed. The reaction was first order in the concentration of ligatable γ-γ junctions and the initial velocity was proportional to the enzyme concentration. The time evolution of size distribution of ligated end-to-end sequences agreed with a theory based on random ligation of ligatable junctions.
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    Biopolymers 23 (1984), S. 201-212 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A mean-square helical hydrophobic moment, 〈h2〉, is defined for polypeptides in analogy to the mean-square dipole moment, 〈μ2〉, for polymer chains. For a freely jointed polymer chain, 〈μ2〉 is given by Σmi2, where mi denotes the dipole moment associated with bond i. In the absence of any correlations in the hydrophobic moments of individual amino acid residues in the helix, 〈h2〉 is specified by ΣHi2, where Hi denotes the hydrophobicity of residue i. The tendency for correlations in orientations of residue hydrophobic moments in helices therefore dictates the size of 〈h2〉/〈H2〉, where 〈H2〉 denotes the average value of ΣHi2 for all helices. The value of 〈h2〉/〈H2〉 will be greater than one in amphiphilic helices. A necessary prerequisite for this diagnostic usage of 〈h2〉/〈H2〉 is that the residue hydrophobic moment be oriented prependicular to the principal axis of the helix. Matrix-generation schemes are formulated that permit rapid evaluation of 〈h2〉 and 〈H2〉. The behavior of 〈h2〉/〈H2〉 is illustrated by calculations performed for model sequential copolypeptides.
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    Biopolymers 23 (1984), S. 271-285 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We report a calculation of the distribution of small ions around a charged cylinder representing a polyelectrolyte molecule in solution. The Monte Carlo method of Metropolis, Rosenbluth, and Teller was used to avoid the inaccuracies known to be associated with the Poisson-Boltzmann equation. The systems examined contained a long polyelectrolyte cylinder with charge parameter, χ, equal to 4.2, corresponding approximately to a DNA molecule. In one model, the cylinder had charges on its axis and an exclusion radius to the center of the small ions equal to 10 Å, while the small ions had various radii in the range from 1 to 10 Å and one or two protonic charges. Various systems were studied; some had one species of small ion alone, others had mixtures of different types. The results showed good agreement with the solution of the Poisson-Boltzmann equation when only the species with 1-Å radius was present, but considerable discrepancies appeared with larger ions as a result of excluded volume interactions between the latter. Deviations from the Poisson-Boltzmann equation also appeared when both positive and negative small ions were present; the deviations were in the direction of a higher concentration of both counter- and co-ions, but particularly co-ions, close to the polyelectrolyte. In another model, the charges were arranged along two helices on the surface of the cylinder; the resulting radial distribution of small ions was not much different from that found when the charges were situated on the axis. In all cases there was a striking accumulation of counterions in a layer of concentration exceeding 1 mol/L at the surface of the polyion.
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    Biopolymers 23 (1984), S. 337-351 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Brillouin scattering was used to determine the longitudinal acoustic velocity along the axis of collagen fibers as the relative humidity decreased from 95 to 0%. Between 0 and 86%, the velocity decreased linearly at a modest rate. Above 86%, the decrease was steep. The changing mass of the absorbed water accounts for most of the velocity change in the lower humidity range. The remaining deviation is probably due to variation of the elastic coupling between molecules. At low humidity, the adsorbed water is known to be attached to the collagen molecules, whereas the additionally adsorbed water at high humidity has the properties of bulk liquid. The high-humidity sonic velocity variation is ascribed to the presence of free water. It is possible to identify the five water regimes of Pineri et al. [(1978) Biopolymers 17, 2799-2815] with the variations of the sonic velocity with water content.
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    Biopolymers 23 (1984), S. 353-361 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Optical rotation, viscosity, and density studies are reported on solutions of α-gelatin in solvent mixtures of water and various monohydric alcohols. Reversion to the collagen fold by the protein is shown to be order in all cases, but changes in magnitude as a function of concentration of the particular alcohol are observed. The structuring effects of the alcohol on water are seen to be reflected in the extent of helix regeneration by the protein. Shorter chain alcohols appear to influence the initial rate of reversion by direct interaction with the protein.
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    Biopolymers 23 (1984) 
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    Keywords: Chemistry ; Polymer and Materials Science
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  • 62
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    Keywords: Chemistry ; Polymer and Materials Science
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    Topics: Chemistry and Pharmacology
    Notes: We have recorded high-resolution 13C-nmr spectra of collagen fibrils in the solid state by the cross-polarization-magic-angle-spinning(CP-MAS)method and analyzed the spectra with reference to those of collagenlike polypeptides. We used two kinds of model polypeptides to obtain reference 13C chemical shifts of major amino acid residues of collagen (Gly, Pro, Ala, and Hyp): the 31-helical polypeptides [(Gly)nII, (Pro)nII, (Hyp)n, and (Ala—Gly—Gly)nII], and the triple-helical polypeptides [(Pro—Gly—Pro)n and (Pro—Ala—Gly)n]. Examination of the 13C chemical shifts of these polypeptides, together with our previous data, showed that the 13C chemical shifts of individual amino acid residues are the same, within experimental error (±0.5 ppm), among different polypeptides with different primary sequences, if the conformations are the same. We found that the 13C chemical shifts of Ala residues of the 31-helical (Ala—Gly—Gly)n and triple-helical (Pro—Ala—Gly)n are significantly displaced, compared with those of the α-helix, β-sheet, and silk I form, and can be utilized as excellent probes to examine conformational features of collagen-like polypeptides. Further, the 13C chemical shifts of Gly and Pro residues in the triple-helical polypeptides are substantially displaced from those found in (Gly)nII and (Pro)nII of the 31-helix, reflecting further conformational change from the 31-helix to the supercoiled triple helix. In particular, the 13C chemical shifts of Gly C = O carbons of the triple-helical polypeptides are substantially displaced upfield (4.1-5.1 ppm), with respect to those of the 31-helical polypeptides. These displacements are interpreted by that Gly C = O of the former is not involved in NH … O = C hydrogen bonds, while this carbon of the latter is linked by these kinds of hydrogen bonds.On the basis of these 13C chemical shifts, as reference data for the collagenlike structure, we were able to assign the 13C-nmr peaks of Gly, Ala, Pro, and Hyp residues of collagen fibrils, which are in good agreement with the values expected from the model polypeptides mentioned above. We also discuss a plausible conformational change of collagen fibrils during denaturation.
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    Biopolymers 23 (1984), S. 2349-2360 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Dermorphin (Tyr—D-Ala—Phe—Gly—Tyr—Pro—Ser—NH2), a potent natural peptide opioid, its synthetic L-Ala2 analog, and all the N fragments from the tripeptide (Tyr—D-Ala—Phe—NH2) to the parent hexapeptide amide were characterized for the first time by means of proton nmr spectroscopy at 11.74 T. Assignments of most protons of dermorphin were facilitated by the study of the N-terminal fragments. Comparison of spectroscopic parameters with relative pharmacological activity is proposed as a possible means of studying flexible agonists in solution.
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    Biopolymers 23 (1984), S. 2715-2724 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The magnetic circular dichroism (MCD) of adenine, hypoxanthine, and guanosine 5′-diphosphate reveals that, for each species, the uv-absorption band near 200 nm is composed of at least two electronic transitions. The theory of MCD shows that the dipoles of these transitions are not parallel to one another. The transitions are assigned within the framework of current theories of the electronic structure of the purines. Knowledge of the presence of more than one transition within an absorption envelope is important in interpreting the corresponding natural CD of DNA and RNA.
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    Biopolymers 23 (1984), S. 2963-2966 
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    Keywords: Chemistry ; Polymer and Materials Science
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    Topics: Chemistry and Pharmacology
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    Biopolymers 23 (1984), S. 719-734 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The aggregation of poly(γ-benzyl-α,L-glutamate) and its enantiomer in toluene has been investigated by following the viscosity as a function of temperature, concentration, molecular weight, molecular-weight distribution, helix chirality, and shear rate. The temperature and concentration data for a 138,000-molecular-weight sample was fitted to an open, reversible end-to-end aggregation model. The aggregation numbers resulting from this fit were consistent with the sudden onset in non-Newtonian flow resulting from only a 0.2-wt% increase in concentration. The association equilibrium constant was then used to predict viscosity for comparison with other data, in particular, the effect of molecular weight and molecular-weight distribution. A mixture of right-and left-handed helices showed the aggregation was not chiral selective. The stiffness of end-to-end aggregated (hydrogen-bonded) molecules differed little from their covalent counterparts, at least below a molecular weight of ∼106. We conclude that polybenzylglutamate aggregation in toluene can be described by an open end-to-end aggregation model.
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    Biopolymers 23 (1984), S. 797-808 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Quasielastic light-scattering (QELS) studies were performed on a monodisperse preparation of dinucleosomal-sized DNA having an average of 375 base pairs. The QELS data were obtained at several time intervals at each angle examined over the range 30° 〈 θ 〈 60° for the ionic strength solvents 500, 50, 10, and 1 mM in KCl. What results from this study is that two relaxation domains persist over the entire ionic strength range where the “splitting” between these two domains increases as the ionic strength is lowered. The ordinate intercept of Dapp vs Cp/2Cs, where Cp is the polyion concentration and Cs is the added salt concentration, is shown to give the “true” hydrodynamic value for the diffusion coefficient. The “splitting phenomenon” is interpreted in terms of two models currently in vogue: small ion-polyion coupled modes and translational-rotational coupled modes for rigid rods in congested solutions. Although neither model is in perfect agreement with the experimental results, the small ion-polyion coupled mode theory appears to provide a better quantitative description of the observations.
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    Biopolymers 23 (1984) 
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    Chemie in unserer Zeit 18 (1984) 
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    Keywords: Chemistry ; Chemistry
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    Chemie in unserer Zeit 18 (1984), S. A4 
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    Chemie in unserer Zeit 18 (1984), S. 55-61 
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    Keywords: Chemistry ; Chemistry
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    Chemie in unserer Zeit 18 (1984), S. 62-67 
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    Chemie in unserer Zeit 18 (1984), S. 68-69 
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    Chemie in unserer Zeit 18 (1984), S. 109-119 
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    Chemie in unserer Zeit 18 (1984) 
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    Chemie in unserer Zeit 18 (1984), S. 179-180 
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    Chemie in unserer Zeit 18 (1984), S. 60A 
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    Chemie in unserer Zeit 18 (1984), S. 211-212 
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    Biopolymers 23 (1984), S. 139-158 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Intercalation complexes of daunomicin(+1) with tetramer duplexes in DNA are studied with the theoretically determined intercalation sites (I, -0.4), (II, -0.4), and (III, -1.4). These sites occur with base pairs separated by 6.76 Å for helical angles of 26°, 22°, and 8° about the intercalation site. Site I is preferred, and this is in agreement with experimental unwinding angles. Optimum binding positions and conformations are established, and these are in agreement with experimental results from crystal structures. A systematic procedure is devised to study base-pair and base-sequence specificity, which results in the demonstration that the most stable sequences are mainly ↑BP1, T·A, DAUN, A·T, BP4↓ and ↑BP1, T·A, DAUN, G·C, BP4↓, i.e., with the TpA and CpG (pyrimidine)p(purine) sequences about the intercalation site. These 32 possible sequences are found among the 40 most stable complexes. These theoretical calculations of intercalation complexes with daunomicin(+1) provide the first example in which a drug specifically selects the base pair T·A and prefers it in a particular sequence about the intercalation site. This specificity is in agreement with some experimental results. Problems associated with the interpretation of specificity are discussed in terms of the base, base-pair, and base-sequence resulting from the DNA site and the DNA-drug interactions. T·A specificity is rationalized by noting that the 2′deoxyribo-5′-monophosphate backbone attached to A is slightly more negative than that on the other nucleotides. Hence, a preference exists for binding to the protonated daunosamine (+1) groups. Stereographic projections of daunomycinone and daunomycin(+1) in a bond model and in a space-filling model with steric contours illustrate the results.
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    Notes: Small-angle x-ray scattering studies have been carried out on the enzyme yeast inorganic pyrophosphatase (PPase), and its overall conformational changes on interaction with divalent metal ions (Mg2+ and Mn2+) and with phosphoryl ligands [inorganic phosphate (Pi) and hydroxymethane bisphosphonate (PCHOHP), a nonhydrolyzable inorganic pyrophosphate analog] were assessed. The enzyme undergoes an apparent reduction in size on simultaneous addition of Mg2+ and high Pi concentration, although neithough neither Mg2+ nor Pi added separately induced any measurable conformational changes. By contrast, simultaneous addition of Mn2+ and Pi to PPase does not result in an observable conformational change. However, the overall structure of the enzyme appears to enlarge in the simultaneous presence of Mn2+ ions and PCHOHP. The significance of the structural changes seen in PPase under various conditions is discussed.
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    Biopolymers 23 (1984), S. 213-233 
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    Keywords: Chemistry ; Polymer and Materials Science
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    Topics: Chemistry and Pharmacology
    Notes: The thermodynamics of ethidium ion binding to the double strands formed by the ribooligonucleotides rCA5G + rCU5G and the analogous deoxyribo-oligonucleotides dCA5G + dCT5G were determined by monitoring the absorbance versus temperature at 260 and 283 nm at several concentrations of oligonucleotides and ethidium bromide. A maximum of three ethidium ions bind to the oligonucleotides, which is consistent with intercalation and nearest-neighbor exclusion. For the ribo-oligonucleotide the binding mechanism is complex. Either two sites (assumed to be the intercalation sites at the two ends of the oligonucleotide) bind more strongly by a factor of 140 than the third site, or all sites are identical, but there is strong anticooperativity on binding (cooperativity parameter, 0.1). In sharp contrast, the binding to the same sequence (with thymine substituted for uracil) in the deoxyribo-oligonucleotide showed all sites equivalent and no cooperativity. For the ribo-oligonucleotides the enthalpy for ethidium binding is -14 kcal/mol. The equilibrium constants at 25°C depend on the model; either K = 6 × 105M-1 for the two strong sites (4 × 103M-1 for the weak site) or K = 2.5 × 105M-1 for the intrinsic constant of the anticooperative model. For the equivalent deoxyribo-oligonucleotide the enthalpy of binding is -9 kcal/mol and the equilibrium constant at 25°C is a factor of 10 smaller (K = 2.5 × 104M-1).
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    Biopolymers 23 (1984), S. 287-312 
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    Keywords: Chemistry ; Polymer and Materials Science
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    Topics: Chemistry and Pharmacology
    Notes: The distribution of counterions around a charged polyion cylinder is calculated by several methods. First, the Debye-Hückel approximation is used, and it is shown that Manning's condensation hypothesis is necessry to avoid overneutralization of the polyion charges by the counterions when the linear-charge-density parameter, ξ, of the polyion exceeds the critical value of unity. However, it appears that this method of getting this result involves inconsistent application of Debye-Hückel theory. Therefore, we turn to the analytical solution of the Poisson-Boltzmann equation that was obtained by Alfrey, Berg, and Morawetz for a polyion cylinder plus a neutralizing number of counterions but without added salt. One of the integration constants of this solution is a radius, which we call RM, within which lies precisely the fraction of counterions that Manning assumes to condense in his theory. This radius can be rather large, however, so that the “Manning fraction” of condensed ions actually forms a diffuse cloud whose size varies with the polyelectrolyte concentration; RM varies as κ-1/2, where κ is the Debye-Hückel screening parameter. The Manning fraction, 1 - 1/ξ, and its associated radius are unique in their behavior with dilution; smaller fractions stay within finite radii, while with larger fractions the corresponding radii increase as κ-1. Thus, the condensation hypothesis does have a simple mathematical foundation in the Poisson-Boltzmann equation. Finally, by comparison with numerical solutions, we find that these conclusions are not significantly changed even when salt is added to the polyelectrolyte. A short table of numerical solutions of the Poisson-Boltzmann equation in cylindrical geometry is given, together with tables of coefficients tht enable one to discover the particular solution that applies for a given polyion radius and charge density.
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    Biopolymers 23 (1984), S. 435-470 
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    Keywords: Chemistry ; Polymer and Materials Science
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    Topics: Chemistry and Pharmacology
    Notes: Calculations of the optical properties (absorption, linear dichroism, circular dichroism, and anisotropic components of the CD) are presented for polynucleotides of random or regular sequence within the formalism of the matrix method using a set of parameters that includes only the ππ* transitions of the aromatic bases. Experimental solution spectra agree favorably with calculated CD spectra for A-RNA, A-DNA, and B-DNA, when coordinates derived from x-ray studies on fibers are used. Excessive hypochromicity is predicted when parameters intended to reproduce the vacuum-uv absorption of the chromophores are included in the calculations, but total elimination of these parameters leads to an insufficient hypochromicity for the long-wavelength absorption band. Using alternative conformations for DNA in low-salt aqueous solution did not improve the agreement between experimental and calculated spectra, but some features of the optical properties predicted for these variant structures suggest that the tilt of the bases with respect to the helical axis may be larger than that of the fiber B-form.In the case of polynucleotides with regular structure, which have been traditionally less easy to understand in terms of the standard nucleic acid conformations, a series of alternative structures has been examined. Unexpectedly, the calculated spectrum for the Z-DNA structure compares almost quantitatively with the experimental spectrum of poly(dGC·dGC) in low salt. This result, which confirms a recent report [Vasmel, H. & Greve, J. (1981) Biopolymers 20, 1329-1332], is in contrast with the current identification of Z-DNA with the high-salt form of poly(dGC·dGC). Finally, the optical properties of single-stranded polyribonucleotides appear to be better explained when alternative structures [91-helix for poly(rA) and 61-helix for poly(rC)] are introduced instead of the A-RNA form.
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    Biopolymers 23 (1984), S. 607-608 
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    Biopolymers 23 (1984), S. 675-694 
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    Topics: Chemistry and Pharmacology
    Notes: The diffusion-collision model of protein folding has been solved exactly for a three-microdomain protein subunit. Numerical analysis shows that the exact kinetics may be excellently approximated in all cases studied by a standard chemical kinetics approach with the forward rate constants calculated from the mean folding time formula found previously.
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    Biopolymers 23 (1984), S. 707-718 
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    Topics: Chemistry and Pharmacology
    Notes: An electric birefringence study was carried out on aqueous suspensions of the purple membrane of Halobacterium halobium. In addition to the characterization of both native and modified membrane samples, the dependence of electric birefringence on pH and ionic strength was also investigated. The results indicate that purple membrane shows electric birefringence at a field strength as low as 200 V/cm. The permanent dipole moment and polarizability ranged from 20,500 debyes and 1.01 × 10-14 cm3 for a purple membrane concentration of 0.40 mg/mL to 41,000 debyes and 2.05 × 10-14 cm3 for a concentration of 0.80 mg/mL. It was also found that removal of the retinyl group of bacteriorhodopsin substantially decreases but does not eliminate the electric birefringence of the membrane. The solubilization of the membrane by Triton X-100, however, completely abolishes the electric birefringence. These experiments indicate that there is an interaction between adjacent bacteriorhodopsin molecules within the purple membrane via the retinyl chromophore moiety that builds up the permanent dipole moment. They also suggest that there are two types of response when purple membrane suspensions are placed in an electric field. One is an alignment of the disk-shaped particles with the field. The other is a stacking of the particles following their alignment by the electric field, which is promoted by the induced dipole moment.
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    Biopolymers 23 (1984), S. 617-621 
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    Biopolymers 23 (1984), S. 23-38 
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    Topics: Chemistry and Pharmacology
    Notes: A general method is presented for computing the atomic coordinates of helices in which a dipeptide is the repeating unit. The method will generate both single- and double-stranded model helices having idealized bond lengths and angles, and any arbitrary, user-specified, pitch and number of residues per turn. The variation of inter- and intrastrand hydrogen bonds with pitch and number of residues per turn can thus be examined. An application of the method is the construction of a β-helix having pitch of 6.3 Å per turn and 4.85 residues per turn, a model which can pack nicely into the unit cell of crystals of cation-bound gramicidin A.
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    Biopolymers 23 (1984), S. 71-81 
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    Topics: Chemistry and Pharmacology
    Notes: The structure of yeast tRNAAsp in aqueous solutions has been analyzed in the light of results obtained from Raman spectra recorded at from 5 to 82°C and compared to those of tRNAPhe. Firm evidence is given of a reversible conformation transition for tRNAAsp at 20°C. This transition is observed for the first time in the tRNA series. The low-temperature conformation appears to have a more regular ribose-phosphate backbone and a more effective G base-stacking. This conformational change, which occurs essentially in the D loop, could be connected to the existence of two (A and B) crystal forms obtained depending on crystallization conditions. The melting temperatures, which are different for each base stacking in tRNAAsp, lie in a range of about 70°C, much higher than for tRNAPhe. This fact is interpreted by a higher ratio of G-C base pairs in tRNAAsp.
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    Biopolymers 23 (1984), S. 493-509 
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    Topics: Chemistry and Pharmacology
    Notes: Complexes of poly(BU) with various adenine derivatives were investigated by circular dichroism (CD) and absorption spectroscopy. A 1:2 stoichiometry was indicated on CD mixing curves for typical complexes of 9-substituted adenine and 2-aminoadenine derivatives with poly(BU). The CD spectrum of adenosine·2poly(BU) is characterized by well-resolved bands in the range of 210-350 nm. Other adenine derivative-poly(BU) complexes also afford similar CD spectra, while 2-aminoadenine derivative-poly(BU) complexes give quite different spectra. Attempts to assign representative CD spectra were made using the transition of helical poly(BU) and the respective purine polynucleotides. The similarity of the CD spectra suggests that poly(A)·2poly(BU) and adenine derivative-poly(BU) complexes are nearly identical in structure except for the ribose-phosphate linkage. The fact that the uv isosbestic point of adenosine·2poly(BU) falls in close proximity to that of the corresponding polymer complex also supports this conclusion. In the formation of stable helices, the ribose moiety is dispensable in the “strand” of purine. The Tm of 9-methyladenine·2poly(BU) is somewhat higher than that of adenosine·2poly(BU) under equivalent conditions. The Tm difference with the monomer-poly(U) system was found to be about 20°C in 0.4M NaCl-0.02M Na-cacodylate-5 × 10-4M EDTA (pH 7.0). Further, it was noted that the monomer-poly(BU) complexes are formed even when the Tm is lower than that of self-folded poly(BU).
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    Biopolymers 23 (1984), S. 575-592 
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    Keywords: Chemistry ; Polymer and Materials Science
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    Topics: Chemistry and Pharmacology
    Notes: The assignments of 31P resonances of eight short oligonucleotides have been achieved through specific heterodecoupling techniques reported previously from our laboratory [Cheng et al. (1982) Biopolymers 21, 697-701]. The temperature dependence of the assigned 31P chemical shifts of these oligomers was studied and compared to the constitutive dimeric units. This comparison gives some insight to the chemical-shift values of the phosphorus resonances of oligonucleotides. (1) The 3′-end terminal phosphorus resonance in an oligomer tends to locate at a spectral position relatively close to its constitutive dimeric unit. (2) On chain elongation (from 5′-toward 3′-end), the phosphorus resonance in the oligomer will be shifted upfield by 0.2-0.3 ppm, as compared to its constitutive dimeric unit. (3) The relative positions of phosphorus resonances in an oligomer tend to remain in the same order as their constitutive dimeric units. The above obsrvations lead to the development of a new procedure to assign the 31P resonance of a single-stranded oligonucleotide.
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    Biopolymers 23 (1984), S. 647-666 
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    Keywords: Chemistry ; Polymer and Materials Science
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    Topics: Chemistry and Pharmacology
    Notes: Fractionated samples of sodium hyaluronate of low molecular weight were used to calibrate the carbazole method for glucuronyl analsis and to determine the density increment (based on dry weight) of 0.444 (±0.003) mL/g in water and 0.386 (±0.003) mL/g for samples dialyzed against 0.2M NaCl. Weight-average molecular weights obtained by high-speed sedimentation equilibrium were used to calibrate the limiting viscosity number [η] in 0.2M NaCl, which gave [η]/Mw = 0.0028 (±0.0002) mL/g, valid to Mw = 0.0028 (±0.0002) mL/g, valid to Mw = 105. Experimental data from this work and the literature, including viscosity and light- and small-angle x-ray scattering measurements, were compared to theoretical chain models of the Kratky-Porod (KP) wormlike and the helical wormlike (HW) chain, as treated by Yamakawa and collaborators. Although either model could be fitted to experimental data about equally well with consistent parameters, provided those for the HW chain were of weakly helical nature, calculation of the unperturbed meansquare end-to-end distance as a function of chain length from a conformational model favored the KP chain alternative. The parameters that provide the best fit to experimental data for the KP wormlike model are a persistence length of 4.5-5 nm and a diameter of 1.1 nm. The latter is resonable for a hydrated hydrodynamic cylinder in view of the approximate unhydrated value of 0.7 nm estimated from the density increment.
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    Biopolymers 23 (1984), S. 759-766 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The uv absorption spectra and melting profiles of an initially ion-free solution of E. coli unfractionated tRNA are significantly modified by the addition of either Na+, Mg2+, or Mn2+ or of other first-series transition-metal ions such as Ni2+, Co2+, and Zn2+. The main effect of the addition of all monovalent or divalent cations examined is an increase of the ordered and stacking stabilized tRNA structure, as revealed by a drop in the absorption near 260 nm, as well as in the 4-TU absorption region. Sharp differences have, however, been detected in the 290-305-nm range in the presence of the various ions studied. When transition-metal ions were added to a tRNA solution, an absorption peak appeared at 294 nm. This effect is interpreted as a perturbation of the electronic structure of the bases due to direct binding of metal ions to the bases. An analysis of the variation in the spectrum as a function of metal concentration and of the thermal melting reversibility in the presence of various metal ions supports the conclusion that while all ions investigated are involved in binding to the phosphate groups of tRNA, transition-metal ions are also able to bind directly to the bases.
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    Biopolymers 23 (1984), S. 809-817 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The electrostatic interactions between α-helix dipoles in the crystals of an uncharged helical undecapeptide have been studied in detail. The electrostatic interaction energy between one helix dipole and its 26 nearest neighbors is approximately -23 kcal mol-1. A very similar result is obtained when calculating the interactions between one helix dipole and all 988 helix dipoles occurring within a distance of 75 Å. It therefore appears that in these crystals of completely uncharged molecules large, favorable electrostatic interactions occur.
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    Biopolymers 23 (1984), S. 843-843 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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