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  • Wiley-Blackwell  (10,903)
  • 2015-2019  (41)
  • 1980-1984  (8,929)
  • 1945-1949
  • 1940-1944
  • 1925-1929  (1,933)
  • 2015  (41)
  • 1982  (8,929)
  • 1925  (1,933)
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  • 2015-2019  (41)
  • 1980-1984  (8,929)
  • 1945-1949
  • 1940-1944
  • 1925-1929  (1,933)
Year
  • 1
    Publication Date: 2021-06-16
    Description: In this study, Mg/Ca, Sr/Ca and Ba/Ca ratios in a Lateglacial to Holocene stalagmite (CC26) from Corchia Cave (central Italy) are compared with stable isotope data to define palaeohydrological changes. For most of the record, the trace element ratios show small absolute variability but similar patterns, which are also consistent with stable isotope variations. Higher trace element-to-calcium values are interpreted as responses to decreasing moisture, inducing changes in the residence time of percolation, producing prior calcite precipitation and/or variations in the hydrological routing. Statistically meaningful levels of covariability were determined using anomalies of Mg/Ca, d18O and d13C. Combining these three time series into a single ‘palaeomoisture-trend’ parameter, we highlight several events of reduced moisture (ca. 8.9–8.4, 6.2, 4.2, 3.1 and 2.0 ka), a humid period between ca. 7.9 and 8.3 ka and other shorter-term wet events at ca. 5.8, 5.3 and 3.7 ka. Most of these events can be correlated with climate changes inferred from other regional studies. For both extremities of the record (i.e. before ca. 12.4 ka and after ca. 0.5 ka) Mg/Ca and Sr/Ca are anti-correlated and show the greatest amplitude of values, a likely explanation for which involves aragonite and/or gypsum precipitation (the latter derived from pyrite oxidation) above the CC26 drip point.
    Description: Published
    Description: 381–392
    Description: 4A. Clima e Oceani
    Description: JCR Journal
    Description: restricted
    Keywords: central Italy; Corchia Cave; Holocene; speleothems; trace elements ; 01. Atmosphere::01.01. Atmosphere::01.01.02. Climate
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 2
    Publication Date: 2021-03-18
    Description: This article presents an integrated approach for the probabilistic systemic risk analysis of a road network considering spatial seismic hazard with correlation of ground motion intensities, vulnerability of the network components, and the effect of interactions within the network, as well as, between roadway components and built environment to the network functionality. The system performance is evaluated at the system level through a global connectivity performance indicator, which depends on both physical damages to its components and induced functionality losses due to interactions with other systems. An object-oriented modeling paradigm is used, where the complex problem of several interacting systems is decomposed in a number of interacting objects, accounting for intra- and interdependencies between and within systems. Each system is specified with its components, solving algorithms, performance indicators and interactions with other systems. The proposed approach is implemented for the analysis of the road network in the city of Thessaloniki (Greece) to demonstrate its applicability. In particular, the risk for the road network in the area is calculated, specifically focusing on the short-term impact of seismic events (just after the earthquake). The potential of road blockages due to collapses of adjacent buildings and overpass bridges is analyzed, trying to individuate possible criticalities related to specific components/subsystems. The application can be extended based on the proposed approach, to account for other interactions such as failure of pipelines beneath the road segments, collapse of adjacent electric poles, or malfunction of lighting and signaling systems due to damage in the electric power network.
    Description: Published
    Description: 524–540
    Description: 3T. Pericolosità sismica e contributo alla definizione del rischio
    Description: JCR Journal
    Description: restricted
    Keywords: Systemic vulnerability ; 04. Solid Earth::04.06. Seismology::04.06.11. Seismic risk
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 3
    Publication Date: 2020-12-14
    Description: The knowledge of the local soil structure is important for the assessment of seismic hazards. A widespread, but time-consuming technique to retrieve the parameters of the local underground is the drilling of boreholes. Another way to obtain the shear wave velocity profile at a given location is the inversion of surface wave dispersion curves. To ensure a good resolution for both superficial and deeper layers, the used dispersion curves need to cover a wide frequency range. This wide frequency range can be obtained using several arrays of seismic sensors or a single array comprising a large number of sensors. Consequently, these measurements are time-consuming. A simpler alternative is provided by the use of the ellipticity of Rayleigh waves. The frequency dependence of the ellipticity is tightly linked to the shear wave velocity profile. Furthermore, it can be measured using a single seismic sensor. As soil structures obtained by scaling of a given model exhibit the same ellipticity curve, any inversion of the ellipticity curve alone will be ambiguous. Therefore, additional measurements which fix the absolute value of the shear wave velocity profile at some points have to be included in the inversion process. Small-scale spatial autocorrelation measurements or MASW measurements can provide the needed data. Using a theoretical soil structure, we show which parts of the ellipticity curve have to be included in the inversion process to get a reliable result and which parts can be omitted. Furthermore, the use of autocorrelation or high-frequency dispersion curves will be highlighted. The resulting guidelines for inversions including ellipticity data are then applied to real data measurements collected at 14 different sites during the European NERIES project. It is found that the results are in good agreement with dispersion curve measurements. Furthermore, the method can help in identifying the mode of Rayleigh waves in dispersion curve measurements.
    Description: Published
    Description: 207-229
    Description: 3T. Pericolosità sismica e contributo alla definizione del rischio
    Description: JCR Journal
    Description: restricted
    Keywords: Inverse theory Surface waves and free oscillations Site effects Computational seismology Wave propagation ; 04. Solid Earth::04.02. Exploration geophysics::04.02.06. Seismic methods
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 4
    Publication Date: 2021-06-22
    Description: Operative seismic aftershock risk forecasting can be particularly useful for rapid decision-making in the presence of an ongoing sequence. In such a context, limit state first-excursion probabilities (risk) for the forecasting interval (a day) can represent the potential for progressive state of damage in a structure. This work lays out a performance-based framework for adaptive aftershock risk assessment in the immediate post-mainshock environment. A time-dependent structural performance variable is adopted in order to measure the cumulative damage in a structure. A set of event-dependent fragility curves as a function of the first-mode spectral acceleration for a prescribed limit state is calculated by employing back-to-back non- linear dynamic analyses. An epidemic-type aftershock sequence model is employed for estimating the spatio-temporal evolution of aftershocks. The event-dependent fragility curves for a given limit state are then integrated together with the probability distribution of aftershock spectral acceleration based on the epidemic-type aftershock sequence aftershock hazard. The daily probability of limit state first-excursion is finally calculated as a weighted combination of the sequence of limit state probabilities conditioned on the num- ber of aftershocks. As a numerical example, daily aftershock risk is calculated for the L’Aquila 2009 aftershock sequence (central Italy). A representative three-story reinforced concrete frame with infill panels, which has cyclic strength and stiffness degradation, is used in order to evaluate the progressive damage. It is observed that the proposed framework leads to a sound forecasting of limit state first-excursion in the structure for two limit states of significant damage and near collapse. Copyright © 2014 John Wiley & Sons, Ltd.
    Description: Published
    Description: 2179–2197
    Description: 3T. Pericolosità sismica e contributo alla definizione del rischio
    Description: JCR Journal
    Description: reserved
    Keywords: aftershock ; time-dependent reliability ; seismic risk ; etas modeling ; 04. Solid Earth::04.06. Seismology::04.06.11. Seismic risk
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 5
    Publication Date: 2017-04-04
    Description: The Pernicana Fault (PF) is the main structural element of Mt Etna and the northern boundary of a section sliding to the southeast. Observed ground motion records in the damage zone of the PF show strong variations of directional resonance in the horizontal plane. The observed resonance directions exhibit an abrupt rotation of azimuth by about 30◦ across the fault, varying from N166◦ on the north side to N139◦ on the south. We interpret the directional resonance observations in terms of changes in the kinematics and deformation fields on the opposite sides of the fault. The northern side is affected primarily by the left-lateral strike-slip movement, whereas the southern side, that is subjected also to sliding, is under a dominant extensional stress regime. Brittle deformation models based on the observed kinematic field predict different sets of fractures on the opposite sides of the fault: synthetic cleavages and extensional fractures are expected to dominate in the northern and southern sides, respectively. These two fracture fields have different orientations (N74◦ and N42◦, respectively) and both show a near-orthogonal relation (∼88◦ in the northern sector and ∼83◦ to the south) with the azimuth of the observed directional resonance. We conclude that the direction of the largest resonance motions is sensitive to and has transversal relationship with the dominant fracture orientation. The directional amplification is inferred to be produced by stiffness anisotropy of the fault damage zone, with larger seismic motions normal to the fractures.
    Description: Published
    Description: 986–996
    Description: 3T. Pericolosità sismica e contributo alla definizione del rischio
    Description: JCR Journal
    Description: restricted
    Keywords: Earthquake ground motions; Site effects; 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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  • 6
    Publication Date: 2017-04-04
    Description: We consider a seismicity forecast experiment conducted during the last 4 yr. At the beginning of each year, three models make a 1-yr forecast of the distribution of large earthquakes everywhere on the Earth. The forecasts are generated and the observations are collected in the Collaboratory for the Study of Earthquake Predictability (CSEP). We apply CSEP likelihood measures of consistency and comparison to see how well the forecasts match the observations, and we compare results from some intuitive reference models. These results illustrate some undesirable properties of the consistency tests: the tests can be extremely sensitive to only a few earthquakes, and yet insensitive to seemingly obvious flaws—a na ̈ıve hypothesis that large earthquakes are equally likely everywhere is not always rejected. The results also suggest that one should check the assumptions of the so-called T and W comparison tests, and we illustrate some methods to do so. As an extension of model assessment, we explore strategies to combine forecasts, and we discuss the implications for operational earthquake forecasting. Finally, we make suggestions for the next generation of global seismicity forecast experiments.
    Description: Published
    Description: 422-431
    Description: 3T. Pericolosità sismica e contributo alla definizione del rischio
    Description: JCR Journal
    Description: restricted
    Keywords: probabilistic forecasting ; statistical seismology ; 04. Solid Earth::04.06. Seismology::04.06.02. Earthquake interactions and probability
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 7
    Publication Date: 2017-04-04
    Description: The M ∼ 7 1915 Fucino (Central Italy) earthquake represents one of the most destructive seismic events ever occurred in the Italian Peninsula. Several seismogenic faults have been proposed in the past decades as the source of the earthquake by means of different approaches and techniques that lead to a variety of speculations about the source mechanism and the fault location, often contrasting with one another. The 1915 earthquake produced a remarkable data set of 73 coseismic hydrological changes in the near and intermediate field that consist in variation of the flow of streams and springs, liquefaction, rise of water temperature and turbidity. In this paper, we study the coseismic water level changes induced by the 1915 earthquake in the near field to provide convincing clues on the geometry of the earthquake causative fault. We model the coseismic strain field induced by seventeen individual faults proposed through different approaches, and compare its pattern with the distribution of streamflow changes. We find: (i) clues on the most probable geometry of the earthquake causative fault. Best fits between modelled deformation and observed data are displayed by sources (derived by geological or seismological data) that share several distinctive features, as they are ∼135◦-striking, SW-dipping, 25–30-km-long normal faults located along the eastern side of the Fucino basin. These data point to the Serrone Fault and the Parasano Fault as the most likely causative structures and support the hypothesis that the coseismic ruptures observed in the field represented primary surface faulting. On the contrary, our calculations show that the Pescina Fault and the Ventrino Fault are secondary faults from the perspective of the hydrological response. Finally, one of the best scoring potential sources (from geological data) is a multifaulting system that considers the presence, in the central-western part of the basin, of fault splays synthetic and antithetic to the main seismogenic structures; therefore, we infer for these splays a possible active involvement in a 1915-like seismogenic process; (ii) evidence against a number of seismogenic structures that were previously associated with the earthquake. In particular, the plots of coseismic strain induced by sources uniquely derived by macroseismic or geodetic data prove to be inconsistent with the polarities of the hydrological signatures. Also, sources mainly characterized by reverse faulting and/or by right-lateral strike-slip component are discarded and (iii) as a final remark, we maintain that the study of the hydrological signatures of earthquake strain can offer an alternative tool in the investigation of the historical seismicity, to estimate the focal mechanism of major earthquakes capable of giving rise to a consistent data set of hydrological data.
    Description: Published
    Description: 1374-1388
    Description: 2T. Tettonica attiva
    Description: JCR Journal
    Description: restricted
    Keywords: 1915 Fucino earthquake ; 04. Solid Earth::04.06. Seismology::04.06.99. General or miscellaneous
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 8
    Publication Date: 2017-04-04
    Description: Macroseismic intensities are the only available data for most historical earthquakes and often represent the unique source of information for crucial events in the definition of seismic hazard. In this paper, we attempt at getting insight into source characteristics by reproducing the observed intensity field. As a test case, we study the source of 1908 Messina Straits earthquake ( M W = 7.1), by testing three distinct fault models deduced from the analysis of geodeticdata.Startingfromthestaticslipdistribution,wedevelop kinematicsourcemodelsfor the investigated fault and compute full waveform synthetic seismograms in a 1-D structural model, also accounting for anelastic attenuation. Then, we convert both computed peak- ground acceleration (PGA) and peak-ground velocity (PGV) to macroseismic intensity at 100 selected sites, by means of specific empirical relations for the Italian region. By comparing the original data separately with PGA- and PGV-based intensity fields, we discriminate among the tested faults and determine the best values for the investigated kinematic parameters of the source. We also perform a misfit analysis for the best source model, in order to investigate the dependence of the results on the selected parametrization. The results of the analysis indicate that among the tested models, the one characterized by an east-dipping fault, with strike- oriented NS slightly rotated clockwise, better explains the observed macroseismic field of the 1908 Messina Straits earthquake. Besides, the fracture nucleated at the southern end of the fault and ruptured northward, producing considerable directivity effects. This is in agreement with the published results obtained from the investigation of the historical seismograms. We alsodeterminerealisticvalues fortherupturevelocityand therise-time.Ourstudyconfirms the greatpotentialofthemacroseismicdata,demonstratingthattheycontainenoughinformationto constrain important characteristics of the fault, which can be retrieved by using complex source models and computing complete wavefield. Moreover, we also show that the simultaneous comparison of both PGA- and PGV-based synthetic macroseismic fields with the original intensities provides tighter constraints for discriminating among different source models, with respect to what attainable from each of them
    Description: Published
    Description: 164-173
    Description: 4T. Fisica dei terremoti e scenari cosismici
    Description: JCR Journal
    Description: restricted
    Keywords: Earthquake ground motions; Earthquake source observations. ; 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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  • 9
    Publication Date: 2017-04-04
    Description: Gravity and height changes, reflecting magma accumulation in subsurface chambers, are evaluated using Finite Element models in order to resolve controversial relationships observed in some volcanic areas. When significant gravity changes occur without any significant deformation, or vice versa, it is often difficult, if not impossible, to jointly explain the observations using the popular Mogi model. Here we explore whether these discrepancies can be explained by magma compressibility and source geometry effects. Compression of resident magma and expansion of the chamber wall act concurrently to accommodate newly added magma. Gravity-height ratios are found to mainly depend on: (i) geometry of the sources, which control the volume expansion of the chamber, (ii) magma compressibility, which affects the contraction of the magma resident in the chamber, and (iii) depth of the sources. Our numerical results show that, when magma compressibility and non-spherical sources are taken into account, significant gravity variations can, indeed, be successfully reconciled with negligible height changes. This may be the case at Etna volcano, where gravity changes (about 40 miuGal) without any significant deformation (below 5 cm) were observed during the 1994-1995 inflation period. The numerical results point to the accumulation of a 1.4x10^10 kg mass into an elongated source simulating a shallow storage region supplying the summit craters.
    Description: Published
    Description: 164-173
    Description: 4V. Vulcani e ambiente
    Description: JCR Journal
    Description: restricted
    Keywords: numerical modeling, gravity and height changes ; 04. Solid Earth::04.03. Geodesy::04.03.05. Gravity variations
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 10
    Publication Date: 2017-04-04
    Description: We present an up-to-date high resolution picture of the ongoing crustal deformation field of Italy, based on an extensive combination of permanent and non-permanent GPS observations carried out since 1994. In addition, we present an updated map of contemporary SHmax orientations computed by a multidisciplinary data set of well-constrained stress indicators, including both published results and novel analyses. The comparison of stress and geodetic strain-rates directions reveals that both patterns are near-parallel over a large part of the investigated area, highlighting that crustal stress and surface deformation are driven by the same mechanism. The comparison of the azimuthal patterns of surface strain and mantle deformation shows a modest correlation on the Alps and a low correlation along the Apennines chain and the Calabro-Peloritan Arc. Along the Apennines chain, this feature suggests the occurrence of significant strain partitioning and crust–mantle mechanical decoupling. Along the Calabro-Peloritan Arc, the apparent low correlation reflects a different mantle–crust mechanism of deformation to the ongoing subduction and rollback of the Ionian slab. In addition, the superposition of regional/local effects related to second-order sources (crustal lateral density changes, strength contrasts), which at regional/local scale modulate the crustal stress/strain-rate pattern, cannot be ruled out.
    Description: Published
    Description: 969-985
    Description: 1T. Geodinamica e interno della Terra
    Description: JCR Journal
    Description: restricted
    Keywords: Plate motions ; Seismic anisotropy ; Kinematics of crustal and mantle deformation ; 04. Solid Earth::04.03. Geodesy::04.03.01. Crustal deformations
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 11
    Publication Date: 2017-04-04
    Description: In the Umbria Marche (Central Italy) region an important earthquake sequence occurred in 1997, characterized by nine earthquakes with magnitudes in the range between 5 and 6, that caused important damages and causalities. In the present paper we separately estimate intrinsic- and scattering- Q −1 parameters, using the classical MLTWA approach in the assumption of a half space model. The results clearly show that the attenuation parameters Qi −1 and Qs −1 are frequency dependent. This estimate is compared with other attenuation studies carried out in the same area, and with all the other MLTWA estimates obtained till now in other tectonic environments in the Earth. The bias introduced by the half space assumption is investigated through numerical solutions of the Energy Transport equation in the more realistic assumption of a heterogeneous crust overlying a transparent mantle, with a Moho located at a depth ranging between 35 and 45 km below the surface. The bias introduced by the half space assumption is significant only at high frequency. We finally show how the attenuation estimates, calculated with different techniques, lead to different PGA decay with distance relationships, using the well known and well proven Boore’s method. This last result indicates that care must be used in selecting the correct estimate of the attenuation parameters for seismic risk purposes. We also discuss the reason why MLTWA may be chosen among all the other available techniques, due to its intrinsic stability, to obtain the right attenuation parameters.
    Description: Published
    Description: 1370-1382
    Description: 4T. Fisica dei terremoti e scenari cosismici
    Description: JCR Journal
    Description: open
    Keywords: Seismic attenuation ; scattering ; 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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  • 12
    Publication Date: 2017-04-04
    Description: Seismological, geological and geodetic data have been integrated to characterize the seismogenic structure of the late 2013-early 2014 moderate energy (maximum local magnitude MLmax = 4.9) seismic sequence that struck the interior of the Matese Massif, part of the Southern Apennines active extensional belt. The sequence, heralded by a ML = 2.7 foreshock, was characterized by two main shocks with ML = 4.9 and ML = 4.2, respectively, which occurred at a depth of ∼17–18 km. The sequence was confined in the 10–20 km depth range, significantly deeper than the 1997–1998 sequence which occurred few km away on the northeastern side of the massif above ∼15 km depth. The depth distribution of the 2013–14 sequence is almost continuous, albeit a deeper (16–19 km) and a shallower (11–15 km) group of events can be distinguished, the former including the main shocks and the foreshock. The epicentral distribution formed a ∼10 km long NNW–SSE trending alignment, which almost parallels the surface trace of late Pliocene–Quaternary southwest-dipping normal faults with a poor evidence of current geological and geodetic deformation. We built an upper crustal model profile for the eastern Matese massif through integration of geological data, oil exploration well logs and seismic tomographic images. Projection of hypocentres on the profile suggests that the seismogenic volume falls mostly within the crystalline crust and subordinately within the Mesozoic sedimentary cover of Apulia, the underthrust foreland of the Southern Apennines fold and thrust belt. Geological data and the regional macroseismic field of the sequence suggest that the southwest-dipping nodal plane of the main shocks represents the rupture surface that we refer to here as the Matese fault. The major lithological discontinuity between crystalline and sedimentary rocks of Apulia likely confined upward the rupture extent of the Matese fault. Repeated coseismic failure represented by the deeper group of events in the sequence, activated in a passive fashion the overlying ∼11–15 km deep section of the upper crustal normal faults. We consider the southwest-dipping Matese fault representative of a poorly known type of seismogenic structures in the Southern Apennines, where extensional seismogenesis and geodetic strain accumulation occur more frequently on NE-dipping, shallower-rooted faults. This is the case of the Boiano Basin fault located on the northern side of the massif, to which the 1997–1998 sequence is related. The close proximity of the two types of seismogenic faults at the Matese Massif is related to the complex crustal architecture generated by the Pliocene–early Pleistocene contractional and transpressional tectonics.
    Description: Published
    Description: 823-837
    Description: 2T. Tettonica attiva
    Description: JCR Journal
    Description: partially_open
    Keywords: Seismicity and tectonics ; Continental tectonics: extensional ; Crustal structure ; 04. Solid Earth::04.04. Geology::04.04.01. Earthquake geology and paleoseismology ; 04. Solid Earth::04.04. Geology::04.04.09. Structural geology ; 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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  • 13
    Publication Date: 2017-04-04
    Description: We analysed the conversion problem between teleseismic magnitudes (Ms and mb) provided by the Seismological Bulletin of the International Seismological Centre and moment magni- tudes (Mw) provided by online moment tensor (MT) catalogues using the chi-square general orthogonal regression method (CSQ) that, differently from the ordinary least-square regres- sion method (OLS), accounts for the measurement errors of both the predictor and response variables. To account for the non-linearity of the relationships, we used two types of curvilin- ear models: (i) the exponential model (EXP), recently proposed by the authors of the Global Catalogue sponsored by the Global Earthquake Model (GEM) Foundation and (ii) a connected bilinear (CBL) model, similar to that proposed by Ekstro ̈m & Dziewonski, where two different linear trends at low and high magnitudes are connected by an arc of circle that preserves the continuity of the function and of its first derivative at the connecting points. For Ms, we found that the regression curves computed for a global data set (GBL) are likely to be biased by the incompleteness of global MT catalogues for Mw 〈5.0–5.5. In fact, the GBL curves deviate significantly from a similar regression curve computed for a Euro-Mediterranean data set (MED) integrated with the data provided by two regional MT catalogues including many more events with Mw 〈 5.0–5.5. The GLB regression curves overestimate the Mw proxies computed from Ms up to 0.5 magnitude units. Hence for computing Mw proxies at the global scale of Ms ≤ 5.5, we suggest to adopt the coefficients obtained from the MED regression. The analysis of the frequency–magnitude relationship of the resulting Mw proxy catalogues confirms the validity of this choice as the behaviour of b-value as a function of cut-off magnitude of the GBL data set is much more stable using such approach. The incompleteness of Mw’s provided from MT global catalogues also affects the mb GBL data set but in this case the use of the CSQ regression method, in place of the OLS, mitigates the bias and then, at low magnitudes, the EXP regression curve computed from the more complete MED data set almost coincides with that computed from the GBL data set. Our results also indicate that the slope at low magnitudes of the Mw–Ms relationship is substantially consistent with the hypothesized theoretical value of 2/3 for Ms 〈 5.0 while the slope of the Mw–mb relationship at high magnitudes probably reaches the theoretically expected value of 2 only in the proximity of the upper limit of mb determinations in our data set (mb = 7.2).
    Description: Published
    Description: 805–828
    Description: 3T. Pericolosità sismica e contributo alla definizione del rischio
    Description: JCR Journal
    Description: restricted
    Keywords: Earthquake source observations ; Statistical seismology ; 05. General::05.02. Data dissemination::05.02.02. Seismological data
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  • 14
    Publication Date: 2017-04-04
    Description: In a recent paper, important issues were raised about the identification of the fault responsible for the 1908 Messina Straits earthquake. Starting with a reanalysis of the available original geodetic data, the authors aimed to demonstrate that both of the fault–plane orientations derived by the focal mechanism are compatible with the measurements. On these grounds, and based on geological considerations, they argued in favour of the Armo fault—a high-angled structure on the Calabrian side of the Messina Straits—as responsible for the 1908 earthquake. We indicate here that their analysis has some pitfalls that produce questionable results, and that render their conclusions unreliable. Moreover, especially when dealing with such old events and data, we consider that it is more prudent not to derive conclusions on the basis of a single data set, as all of the available information should be included in any interpretation. Indeed, when the joint results of the seismological and geodetic analyses are taken into account, a consistent and robust source model can be derived that indicates that a low-angle, east-dipping fault is the most likely source of this 1908 Messina Straits earthquake
    Description: Published
    Description: 1399-1402
    Description: 4T. Fisica dei terremoti e scenari cosismici
    Description: JCR Journal
    Description: restricted
    Keywords: Earthquake source observations; Seismicity and tectonics; Europe ; 04. Solid Earth::04.06. Seismology::04.06.03. Earthquake source and dynamics
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  • 15
    Publication Date: 2017-04-04
    Description: In this study,we use Differential Synthetic Aperture Radar Interferometry (DInSAR) and multiaperture interferometry (MAI) to constrain the sources of the three largest events of the 2008 Baluchistan (western Pakistan) seismic sequence, namely two Mw 6.4 events only 12 hr apart and an Mw 5.7 event that occurred 40 d later. The sequence took place in the Quetta Syntaxis, the most seismically active region of Baluchistan, tectonically located between the colliding Indian Plate and the Afghan Block of the Eurasian Plate. Surface displacements estimated from ascending and descending ENVISAT ASAR acquisitions were used to derive elastic dislocation models for the sources of the two main events. The estimated slip distributions have peak values of 120 and 130 cm on a pair of almost parallel and near-vertical faults striking NW–SE, and of 50 cm and 60 cm on two high-angle faults striking NE–SW. Values up to 50 cm were found for the largest aftershock on an NE–SW fault located between the sources of the main shocks. The MAI measurements, with their high sensitivity to the north–south motion component, are crucial in this area to accurately describe the coseismic displacement field. Our results provide insight into the deformation style of the Quetta Syntaxis, suggesting that right-lateral slip released at shallow depths on large NW fault planes is compatible with left-lateral activation on smaller NE–SW faults.
    Description: Published
    Description: 25-39
    Description: 2T. Tettonica attiva
    Description: JCR Journal
    Description: restricted
    Keywords: Radar interferometry ; Satellite geodesy ; Seismicity and Tectonics ; Continental margins: convergent ; Earthquake interaction, forecasting and prediction ; Earthquake source observation ; 04. Solid Earth::04.07. Tectonophysics::04.07.07. Tectonics
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 16
    Publication Date: 2017-04-04
    Description: The relative seismic velocity variations possibly associated to large earthquakes can be readily monitored via cross-correlation of seismic noise. In a recently published study, more than 2 yr of continuous seismic records have been analysed from three stations surrounding the epicentre of the 2009 April 6, Mw 6.1 L’Aquila earthquake, observing a clear decrease of seismic velocities likely corresponding to the co-seismic shaking. Here, we extend the analysis in space, including seismic stations within a radius of 60 km from the main shock epicentre, and in time, collecting 5 yr of data for the six stations within 40 km of it. Our aim is to investigate how far the crustal damage is visible through this technique, and to detect a potential post-seismic recovery of velocity variations. We find that the co-seismic drop in velocity variations extends up to 40 km from the epicentre, with spatial distribution (maximum around the fault and in the north– east direction from it) in agreement with the horizontal co-seismic displacement detected by global positioning system (GPS). In the first few months after L’Aquila earthquake, the crust’s perturbation in terms of velocity variations displays a very unstable behaviour, followed by a slow linear recovery towards pre-earthquake conditions; by almost 4 yr after the event, the co-seismic drop of seismic velocity is not yet fully recovered. The strong oscillations of the velocity changes in the first months after the earthquake prevent to detect the fast exponential recovery seen by GPS data. A test of differently parametrized fitting curves demonstrate that the post-seismic recovery is best explained by a sum of a logarithmic and a linear term, suggesting that processes like viscoelastic relaxation, frictional afterlip and poroelastic rebound may be acting concurrently.
    Description: Published
    Description: 604-6011
    Description: 4T. Fisica dei terremoti e scenari cosismici
    Description: JCR Journal
    Description: restricted
    Keywords: Time-series analysis; Interferometry; Computational seismology; Europe ; 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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  • 17
    Publication Date: 2019-12-13
    Description: Downtown L'Aquila suffered severe damage (VIII-IX EMS98 intensity) during the 2009 April 6 Mw 6.3 earthquake. The city is settled on a top flat hill, with a shear-wave velocity profile characterized by a reversal of velocity at a depth of the order of 50–100 m, corresponding to the contact between calcareous breccia and lacustrine deposits. In the southern sector of downtown, a thin unit of superficial red soils causes a further shallow impedance contrast that may have influenced the damage distribution during the 2009 earthquake. In this paper, the main features of ambient seismic vibrations have been studied in the entire city centre by using array measurements. We deployed six 2-D arrays of seismic stations and 1-D array of vertical geophones. The 2-D arrays recorded ambient noise, whereas the 1-D array recorded signals produced by active sources. Surface-wave dispersion curves have been measured by array methods and have been inverted through a neighbourhood algorithm, jointly with the H/V ambient noise spectral ratios related to Rayleigh waves ellipticity. We obtained shear-wave velocity (Vs) profiles representative of the southern and northern sectors of downtown L'Aquila. The theoretical 1-D transfer functions for the estimated Vs profiles have been compared to the available empirical transfer functions computed from aftershock data analysis, revealing a general good agreement. Then, the Vs profiles have been used as input for a deconvolution analysis aimed at deriving the ground motion at bedrock level. The deconvolution has been performed by means of EERA and STRATA codes, two tools commonly employed in the geotechnical engineering community to perform equivalent-linear site response studies. The waveform at the bedrock level has been obtained deconvolving the 2009 main shock recorded at a strong motion station installed in downtown. Finally, this deconvolved waveform has been used as seismic input for evaluating synthetic time-histories in a strong-motion target site located in the middle Aterno river valley. As a target site, we selected the strong-motion station of AQV 5 km away from downtown L'Aquila. For this site, the record of the 2009 L'Aquila main shock is available and its surface stratigraphy is adequately known making possible to propagate the deconvolved bedrock motion back to the surface, and to compare recorded and synthetic waveforms.
    Description: Published
    Description: 848–866
    Description: 3T. Pericolosità sismica e contributo alla definizione del rischio
    Description: JCR Journal
    Description: restricted
    Keywords: Fourier analysis, Earthquake ground motions , Site effects ; 04. Solid Earth::04.06. Seismology::04.06.04. Ground motion
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 18
    Publication Date: 2020-05-27
    Description: We propose an innovative approach to mapping CMB topography from seismic P-wave trav- eltime inversions: instead of treating mantle velocity and CMB topography as independent parameters, as has been done so far, we account for their coupling by mantle flow, as formulated by Forte & Peltier. This approach rests on the assumption that P data are sufficiently sensitive to thermal heterogeneity, and that compositional heterogeneity, albeit important in localized regions of the mantle (e.g. within the D′′ region), is not sufficiently strong to govern the pattern of mantle-wide convection and hence the CMB topography. The resulting tomographic maps of CMB topography are physically sound, and they resolve the known discrepancy between images obtained from classic tomography on the basis of core-reflected and core-refracted seismic phases. Since the coefficients of mantle velocity structure are the only free parameters of the inversion, this joint tomography–geodynamics approach reduces the number of param- eters; nevertheless the corresponding mantle models fit the seismic data as well as the purely seismic ones.
    Description: Published
    Description: 730-746
    Description: 1T. Geodinamica e interno della Terra
    Description: JCR Journal
    Description: restricted
    Keywords: Seismic tomography ; 04. Solid Earth::04.01. Earth Interior::04.01.03. Mantle and Core dynamics
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 19
    Publication Date: 2017-04-04
    Description: We present the results of palaeomagnetic analysis on Late Bronge Age pottery from Santorini carried out in order to estimate the thermal effect of the Minoan eruption on the pre-Minoan habitation level. A total of 170 specimens from 108 ceramic fragments have been studied. The ceramics were collected from the surface of the pre-Minoan palaeosol at six different sites, including also samples from the Akrotiri archaeological site. The deposition temperatures of the first pyroclastic products have been estimated by the maximum overlap of the re-heating temperature intervals given by the individual fragments at site level. A new statistical elaboration of the temperature data has also been proposed, calculating at 95 per cent of probability the re-heating temperatures at each site. The obtained results show that the precursor tephra layer and the first pumice fall of the eruption were hot enough to re-heat the underlying ceramics at temperatures 160–230 ◦C in the non-inhabited sites while the temperatures recorded inside the Akrotiri village are slightly lower, varying from 130 to 200 ◦C. The decrease of the temperatures registered in the human settlements suggests that there was some interaction between the buildings and the pumice fallout deposits while probably the buildings debris layer caused by the preceding and syn-eruption earthquakes has also contributed to the decrease of the recorded re-heating temperatures.
    Description: Published
    Description: 33-47
    Description: 1A. Geomagnetismo e Paleomagnetismo
    Description: JCR Journal
    Description: restricted
    Keywords: Archaeomagnetism ; Rock and mineral magnetism ; Volcaniclastic deposits ; 04. Solid Earth::04.05. Geomagnetism::04.05.06. Paleomagnetism ; 04. Solid Earth::04.05. Geomagnetism::04.05.07. Rock magnetism ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk ; 05. General::05.02. Data dissemination::05.02.03. Volcanic eruptions
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 20
    Publication Date: 2017-04-04
    Description: Probabilistic tsunami hazard analysis (PTHA) relies on computationally demanding numerical simulations of tsunami generation, propagation, and non-linear inundation on high-resolution topo-bathymetric models. Here we focus on tsunamis generated by co-seismic sea floor dis- placement, that is, on Seismic PTHA (SPTHA). A very large number of tsunami simulations are typically needed to incorporate in SPTHA the full expected variability of seismic sources (the aleatory uncertainty). We propose an approach for reducing their number. To this end, we (i) introduce a simplified event tree to achieve an effective and consistent exploration of the seismic source parameter space; (ii) use the computationally inexpensive linear approximation for tsunami propagation to construct a preliminary SPTHA that calculates the probability of maximum offshore tsunami wave height (H Max) at a given target site; (iii) apply a two-stage filtering procedure to these ‘linear’ SPTHA results, for selecting a reduced set of sources and (iv) calculate ‘non-linear’ probabilistic inundation maps at the target site, using only the selected sources. We find that the selection of the important sources needed for approximating probabilistic inundation maps can be obtained based on the offshore HMax values only. The filtering procedure is semi-automatic and can be easily repeated for any target sites. We describe and test the performances of our approach with a case study in the Mediterranean that considers potential subduction earthquakes on a section of the Hellenic Arc, three target sites on the coast of eastern Sicily and one site on the coast of southern Crete. The comparison between the filtered SPTHA results and those obtained for the full set of sources indicates that our approach allows for a 75–80 per cent reduction of the number of the numerical simulations needed, while preserving the accuracy of probabilistic inundation maps to a reasonable degree.
    Description: Published
    Description: 574-588
    Description: 3T. Pericolosità sismica e contributo alla definizione del rischio
    Description: JCR Journal
    Description: restricted
    Keywords: Tsunami ; Hazard ; Probabilistic ; Subduction ; Mediterranean ; SPTHA ; 04. Solid Earth::04.06. Seismology::04.06.02. Earthquake interactions and probability ; 04. Solid Earth::04.07. Tectonophysics::04.07.04. Plate boundaries, motion, and tectonics ; 04. Solid Earth::04.07. Tectonophysics::04.07.06. Subduction related processes
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 21
    Publication Date: 2017-04-04
    Description: Temporal variations in the elastic behaviour of the Earth’s crust can be monitored through the analysis of the Earth’s seismic response and its evolution with time. This kind of analysis is particularly interesting when combined with the reconstruction of seismic Green’s functions from the cross-correlation of ambient seismic noise, which circumvents the limitations imposed by a dependence on the occurrence of seismic events. In fact, because seismic noise is recorded continuously and does not depend on earthquake sources, these cross-correlation functions can be considered analogously to records from continuously repeating doublet sources placed at each station, and can be used to extract observations of variations in seismic velocities. These variations, however, are typically very small: of the order of 0.1 per cent. Such accuracy can be only achieved through the analysis of the full reconstructed waveforms, including later scattered arrivals. We focus on the method known as Moving-Window Cross-Spectral Analysis that has the advantage of operating in the frequency domain, where the bandwidth of coherent signal in the correlation function can be clearly defined. We investigate the sensitivity of this method by applying it to microseismic noise cross-correlations which have been perturbed by small synthetic velocity variations and which have been randomly contaminated. We propose threshold signal-to-noise ratios above which these perturbations can be reliably observed. Such values are a proxy for cross-correlation convergence, and so can be used as a guideline when determining the length of microseismic noise records that are required before they can be used for monitoring with the moving-window cross-spectral technique.
    Description: Published
    Description: 867-882
    Description: 4T. Fisica dei terremoti e scenari cosismici
    Description: JCR Journal
    Description: restricted
    Keywords: Interferometry; Volcano monitoring ; 04. Solid Earth::04.02. Exploration geophysics::04.02.06. Seismic methods
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 22
    Publication Date: 2017-04-04
    Description: In this study we have investigated the forward directivity associated with the initial up-dip rupture propagation during the April 6th 2009 (MW 6.1) L’Aquila normal-faulting earthquake. The objective is the understanding of how the peculiar initial behavior of rupture history during the main shock has affected the near-source recorded ground motions in the L’Aquila town and surrounding areas. We have modeled the observed ground velocities at the closest near-source recording sites by computing synthetic seismograms using a discrete wavenumbers and finite difference approach in the low frequency bandwidth (0.02-0.4 Hz) to avoid site effects contaminations. We use both the rupture model retrieved by inverting ground motion waveforms and continuous high sampling-rate GPS time series as well as uniform-slip constant-rupture speed models. Our results demonstrate that the initial up-dip rupture propagation, characterizing the first three seconds of the rupture history during the L’Aquila main shock and releasing only ∼25% of total seismic moment, controls the observed ground motions in the near-source. This initial stage of the rupture is characterized by the generation of clear ground velocity pulses, which we interpret as a forward directivity effect. Our modeling results confirm a heterogeneous distribution of rupture velocity during the initial up-dip rupture propagation, since uniform rupture speed models overestimate up-dip directivity effects in the footwall of the causative fault. The up-dip directivity observed in the near field during the 2009 L’Aquila main shock is that predicted for a normal faulting earthquake by Somerville’s directivity model, but it differs from that inferred from far-field observations that conversely provide evidence of along-strike directivity. This calls for a careful analysis as well as for the realistic inclusion of rupture directivity to predict ground motions in the near source.
    Description: Published
    Description: 1618-1631
    Description: 4T. Fisica dei terremoti e scenari cosismici
    Description: JCR Journal
    Description: restricted
    Keywords: earthquake ground motion, earthquake source observations, computational seismology ; 04. Solid Earth::04.06. Seismology::04.06.99. General or miscellaneous
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 23
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    Unknown
    Wiley-Blackwell
    In:  Magnitude conversion problem using general orthogonal regression’ by H. R. Wason, Ranjit Das and M. L. Sharma, (Geophys. J. Int., 190, 1091–1096)
    Publication Date: 2017-04-04
    Description: The argument proposed by Wason et al. that the conversion of magnitudes from a scale (e.g. Ms or mb) to another (e.g. Mw), using the coefficients computed by the general orthogonal regression method (Fuller) is biased if the observed values of the predictor (independent) variable are used in the equation as well as the methodology they suggest to estimate the supposedly true values of the predictor variable are wrong for a number of theoretical and empirical reasons. Hence, we advise against the use of such methodology for magnitude conversions.
    Description: Published
    Description: 626-627
    Description: 3T. Pericolosità sismica e contributo alla definizione del rischio
    Description: JCR Journal
    Description: restricted
    Keywords: Earthquake source observations ; Statistical seismology ; Computational 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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  • 24
    facet.materialart.
    Unknown
    Wiley-Blackwell
    Publication Date: 2017-04-04
    Description: Fluids—essentially meteoric water—are present everywhere in the Earth’s crust, occasionally also with pressures higher than hydrostatic due to the tectonic strain imposed on impermeable undrained layers, to the impoundment of artificial lakes or to the forced injections required by oil and gas exploration and production. Experimental evidence suggests that such fluids flow along preferred paths of high diffusivity, provided by rock joints and faults. Studying the coupled poroelastic problem, we find that such flow is ruled by a nonlinear partial differential equation amenable to a Barenblatt-type solution, implying that it takes place in formof solitary pressure waves propagating at a velocity which decreases with time as v ∝t [1/(n − 1) − 1] with n 7. According to Tresca-Von Mises criterion, these waves appear to play a major role in earthquake triggering, being also capable to account for aftershock delay without any further assumption. The measure of stress and fluid pressure inside active faults may therefore provide direct information about fault potential instability.
    Description: Published
    Description: 1281–1285
    Description: 6T. Sismicità indotta e caratterizzazione sismica dei sistemi naturali
    Description: N/A or not JCR
    Description: restricted
    Keywords: forecasting and prediction ; 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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  • 25
    Publication Date: 2017-04-04
    Description: Our improved capability to adapt to future changes in discharge is linked to our capability to predict the magnitude or at least the direction of these changes. For the agricultural U.S. Midwest, too much or too little water has severe socio-economic impacts. Here we focus on the Raccoon River at Van Meter, Iowa, and use a statistical approach to examine projected changes in discharge. We build on statistical models using rainfall and harvested corn and soybean acreage to explain the observed discharge variability. We then use projections of these two predictors to examine the projected discharge response. Results are based on seven global climate models part of the Coupled Model Intercomparison Project Phase 5 and two representative concentration pathways (RCPs 4.5 and 8.5). There is not a strong signal of change in the discharge projections under the RCP 4.5. However the results for the RCP 8.5 point to a stronger changing signal related to larger projected increases in rainfall, resulting in increasing trends in particular in the upper part of the discharge distribution (i.e., 60th percentile and above). Examination of two hypothetical agricultural scenarios indicates that these increasing trends could be alleviated by decreasing the extent of the agricultural production. We also discuss how the methodology presented in this study represents a viable approach to move forward with the concept of return period for engineering design and management in a non-stationary world.
    Description: Published
    Description: 1361–1371
    Description: 4A. Clima e Oceani
    Description: JCR Journal
    Description: restricted
    Keywords: river discharge ; rainfall ; statistical model ; 01. Atmosphere::01.01. Atmosphere::01.01.02. Climate
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 26
    Publication Date: 2020-02-24
    Description: Metal-catalysed CO2 hydrogenation is considered a source of methane in serpentinized (hydrated) igneous rocks and a fundamental abiotic process germane to the origin of life. Iron, nickel, chromium and cobalt are the catalysts typically employed in hydrothermal simulation experiments to obtain methane at temperatures 〉200°C. However, land-based present-day serpentinization and abiotic gas apparently develop below 100°C, down to approximately 40–50°C. Here, we document considerable methane production in thirteen CO2 hydrogenation experiments performed in a closed dry system, from 20 to 90°C and atmospheric pressure, over 0.9–122 days, using concentrations of non-pretreated ruthenium equivalent to those occurring in chromitites in ophiolites or igneous complexes (from 0.4 to 76 mg of Ru, equivalent to the amount occurring approximately in 0.4–760 kg of chromitite). Methane production increased with time and temperature, reaching approximately 87 mg CH4 per gram of Ru after 30 days (2.9 mgCH4/gru/day) at 90°C. At room temperature, CH4 production rate was approximately three orders of magnitude lower (0.003 mgCH4/gru/day). We report the first stable carbon and hydrogen isotope ratios of abiotic CH4 generated below 100°C. Using initial d13CCO2 of -40&, we obtained room temperature d13CCH4 values as 13C depleted as 142&. With time and temperature, the C-isotope separation between CO2 and CH4 decreased significantly and the final d13CCH4 values approached that of initial d13CCO2. The presence of minor amounts of C2-C6 hydrocarbons is consistent with observations in natural settings. Comparative experiments at the same temperatures with iron and nichel catalysts did not generate CH4. Ru-enriched chromitites could potentially generate methane at low temperatures on Earth and on other planets.
    Description: Published
    Description: 438–452
    Description: 7A. Geofisica di esplorazione
    Description: JCR Journal
    Description: restricted
    Keywords: abiotic methane, Sabatier reaction ; 04. Solid Earth::04.04. Geology::04.04.12. Fluid Geochemistry
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 27
    Publication Date: 2017-04-04
    Description: The elevation of the Capo Vaticano coastal terraces (Tyrrhenian coast, central Calabria) is the result of a combination of regional uplift and repeated coseismic displacement. We subtract the regional uplift from the total uplift (maximum average uplift rates: 0.81–0.97 mm a)1 since c. 0.7 Ma) and obtain the residual fault-related displacement. Then, we model the residual displacement to provide constraints on the location and geometry of the seismogenic source of the 1905 M7 earthquake, the strongest – and still poorly understood – earthquake of the instrumental era in this area. We try four different potential sources for the dislocation modelling and find that (1) three sources are not compatible with the displacement observed along the terraces and (2) the only source consistent with the local deformation is the 100 - striking Coccorino Fault. We calculate average long-term vertical slip rates of 0.2–0.3 mm a)1 on the Coccorino Fault and estimate an average recurrence time of one millennium for a 1905-type earthquake.
    Description: Published
    Description: 378-389
    Description: 2T. Tettonica attiva
    Description: JCR Journal
    Description: restricted
    Keywords: 1905 earthquake ; marine terraces ; coseismic displacement ; 04. Solid Earth::04.04. Geology::04.04.01. Earthquake geology and paleoseismology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 28
    Publication Date: 2017-04-04
    Description: Real-time seismology has made significant improvements in recent years, with source parameters now available within a few tens of minutes after an earthquake. It is likely that this time will be further reduced, in the near future, by means of increased efficiency in real-time transmission,increasingdatacoverageandimprovementofthemethodologies.Inthiscontext, together with the development of new ground motion predictive equations (GMPEs) that are abletoaccountforsourcecomplexity,thegenerationofstronggroundmotionshakingmapsin quasi-real time has become ever more feasible after the occurrence of a damaging earthquake. However, GMPEs may not reproduce reliably the ground motion in the near-source region where the finite fault parameters have a strong influence on the shaking. Inthispaperwetestwhetheraccountingforsource-relatedeffectsiseffectiveinbettercharacterizingthegroundmotion.WeintroduceamodificationoftheGMPEswithintheShakeMap softwarepackage,andsubsequentlytesttheaccuracyofthenewlygeneratedshakemapsinpredictingthegroundmotion.ThetestisconductedbycontrollingtheperformanceofShakeMap as we decrease the amount of the available information. We then update ShakeMap with the GMPE modified with a corrective factor accounting for source effects, in order to better constrain these effects that likely influence the level of (near-source) ground shaking. Weinvestigatetwowell-recordedearthquakesfromJapan(the2000Tottori, Mw 6.6,andthe 2008 Iwate-Miyagi, Mw7.0, events) where the instrumental coverage is as dense as needed to ensure an objective appraisal of the results. The results demonstrate that the corrected GMPE can capture only some aspects of the ground shaking in the near-source area, neglecting other multidimensional effects, such as propagation effects and local site amplification.
    Description: Italian Presidenza del Consiglio dei Ministri, Dipartimento della Protezione Civile(DPC)under the contract 2007–2009 DPC-INGVS3project
    Description: Published
    Description: 1836-1848
    Description: 3T. Pericolosità sismica e contributo alla definizione del rischio
    Description: 4T. Fisica dei terremoti e scenari cosismici
    Description: JCR Journal
    Description: restricted
    Keywords: Earthquake ground motions ; Earthquake source observation ; Computational seismology ; 04. Solid Earth::04.06. Seismology::04.06.03. Earthquake source and dynamics ; 04. Solid Earth::04.06. Seismology::04.06.04. Ground motion ; 04. Solid Earth::04.06. Seismology::04.06.10. Instruments and techniques ; 04. Solid Earth::04.06. Seismology::04.06.11. Seismic risk
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  • 29
    Publication Date: 2017-04-04
    Description: A recent study of the Matuyama–Brunhes (M-B) geomagnetic field reversal recorded in exposed lacustrine sediments from the Sulmona Basin (Italy) provided a continuous, highresolution record indicating that the reversal of the field direction at the terminus of the M-B boundary (MBB) occurred in less than a century, about 786 ka ago. In the sediment, thin (4–6 cm) remagnetized horizons were recognized above two distinct tephra layers—SUL2- 19 and SUL2-20—that occur ∼25 and ∼35 cm below the MBB, respectively. Also, a faint, millimetre-thick tephra (SUL2-18) occurs 2–3 cm above the MBB.With the aim of improving the temporal resolution of the previous Sulmona MBB record and understanding the possible influence of cryptotephra on the M-B record in the Sulmona Basin,we performed more detailed sampling and analyses of overlapping standard and smaller samples from a 50 cm-long block that spans the MBB. The new data indicate that (i) the MBB is even sharper than previously reported and occurs ∼2.5 cm below tephra SUL2-18, in agreement with the previous study; (ii) the MBB coincides with the rise of an intensity peak of the natural remanent magnetization (NRM) intensity, which extends across SUL2-18; (iii) except for a 2-cm-thick interval just above tephra SUL2-18, the rock magnetic parameters (k, ARM, Mr, Ms, Bc, Bcr) indicate exactly the same magnetic mineralogy throughout the sampled sequence. We conclude that either SUL2-18 resulted in the remagnetization of an interval of about 6 cm (i.e. during the NRM intensity peak spanning ∼260 ± 110 yr, according to the estimated local sedimentation rate), and thus the detailed MBB record is lost because it is overprinted, or the MBB is well recorded, occurred abruptly about 2.5 cm below SUL2-18 and lasted less than 13 ± 6 yr. Both hypotheses challenge our understanding of the geomagnetic field behaviour during a polarity transition and/or of the NRM acquisition process in the Sulmona lacustrine sediment.
    Description: Published
    Description: 798-812
    Description: 1A. Geomagnetismo e Paleomagnetismo
    Description: JCR Journal
    Description: restricted
    Keywords: Palaeomagnetic secular variation; Rapid time variations; Reversals: process, time scale, magnetostratigraphy; Rock and mineral magnetism ; 04. Solid Earth::04.05. Geomagnetism::04.05.06. Paleomagnetism
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 30
    Publication Date: 2021-11-25
    Description: On 2012 May 20 and 29, two damaging earthquakes with magnitudes Mw 6.1 and 5.9, respectively, struck the Emilia-Romagna region in the sedimentary Po Plain, Northern Italy, causing 26 fatalities, significant damage to historical buildings and substantial impact to the economy of the region. The earthquake sequence included four more aftershocks with Mw ? 5.0, all at shallow depths (about 7–9 km), with similar WNW–ESE striking reverse mechanism. The timeline of the sequence suggests significant static stress interaction between the largest events. We perform here a detailed source inversion, first adopting a point source approximation and considering pure double couple and full moment tensor source models. We compare different extended source inversion approaches for the two largest events, and find that the rupture occurred in both cases along a subhorizontal plane, dipping towards SSW. Directivity is well detected for the May 20 main shock, indicating that the rupture propagated unilaterally towards SE. Based on the focal mechanism solution, we further estimate the co-seismic static stress change induced by the May 20 event. By using the rate-and-state model and a Poissonian earthquake occurrence, we infer that the second largest event of May 29 was induced with a probability in the range 0.2–0.4. This suggests that the segment of fault was already prone to rupture. Finally, we estimate peak ground accelerations for the two main events as occurred separately or simultaneously. For the scenario involving hypothetical rupture areas of both main events, we estimate Mw = 6.3 and an increase of ground acceleration by 50 per cent. The approach we propose may help to quantify rapidly which regions are invested by a significant increase of the hazard, bearing the potential for large aftershocks or even a second main shock.
    Description: Published
    Description: 1658-1672
    Description: 4T. Fisica dei terremoti e scenari cosismici
    Description: JCR Journal
    Description: restricted
    Keywords: Earthquake dynamics ; Earthquake source observations ; 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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  • 31
    Publication Date: 2022-05-24
    Description: Close relationships between deformation and volcanism are well documented in relatively late evolutionary stages of con- tinental rifting, whereas these are poorly constrained in less mature rifting stages. To investigate the control of inherited structures on faulting and volcanism, we present a statistical analysis of volcanic features, faults and pre-rift fabric in the Tanzania Divergence, where volcanic features occur exten- sively in in-rift and off-rift areas. Our results show that in mature rift sectors (Natron), magma uprising is mostly con- trolled by fractures/faults responding to the far-field stress, whereas the distribution of volcanism during initial rifting (Eyasi) is controlled by inherited structures oblique to the regional extension direction. Off-rift sectors show a marked control of pre-rift structures on magma emplacement, which may not respond to the regional stress field. Thus, the use of off-rift magmatic features as stress indicators should take into account the role of pre-existing structures.
    Description: Published
    Description: 461-468
    Description: 1T. Geodinamica e interno della Terra
    Description: JCR Journal
    Description: restricted
    Keywords: East Africa Rift System, Tanzania-Kenia, structures and volcanism ; 04. Solid Earth::04.07. Tectonophysics::04.07.02. Geodynamics
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 32
    Publication Date: 2022-06-10
    Description: Patagonia Argentina is a key area for the study of sea level changes in the southern hemisphere, but the availability of reliable sea level markers in this area is still problematic. In fact the storm deposits (beach ridge) commonly used here to reconstruct past sea level oscillations introduce a wide error. Along the Puerto Deseado coast (Santa Cruz), morphometric analyses of 11 features were carried out using traditional measurement tools and a digital software-based method (tested on one selected feature) with the aim to investigate the possibility of their use as sea level markers. By undertaking accurate topographic profiles we identified the relationship between notches and current sea level. In detail, we identified two clusters of notch retreat point elevations, with a very low internal variability. The lower was located a little below the mean high tide level (mHT) and the upper located at least 0.5m above the maximum high tide level (MHT). Field observations of tidal levels and the position of notches suggest that the lower notches are active and the upper are inactive. This study on the abrasive notches attests their quality as sea level markers and opens up the use of fossil abrasive notches as palaeo sea level markers because the error linked to these features is substantially smaller than that introduced by beach ridges commonly used in the study area
    Description: Published
    Description: 1550 – 1558
    Description: 4A. Clima e Oceani
    Description: JCR Journal
    Description: restricted
    Keywords: notch; rocky coast; sea level marker; Patagonia; Argentina ; 01. Atmosphere::01.01. Atmosphere::01.01.02. Climate
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 33
    Publication Date: 2022-06-14
    Description: Rayleigh wave group velocity dispersion measurements from local and regional earthquakes are used to interpret the lithospheric structure in the Gulf of California region. We compute group velocity maps for Rayleigh waves from 10 to 150 s using earthquakes recorded by broadband stations of the Network of Autonomously Recording Seismographs in Baja California and Mexico mainland, UNM in Mexico, BOR, DPP and GOR in southern California and TUC in Arizona. The study area is gridded in 120 longitude cells by 180 latitude cells, with an equal spacing of 10 × 10 km. Assuming that each gridpoint is laterally homogeneous, for each period the tomographic maps are inverted to produce a 3-D lithospheric shear wave velocity model for the region. Near the Gulf of California rift axis, we found three prominent low shear wave velocity regions, which are associated with mantle upwelling near the Cerro Prieto volcanic field, the Ballenas Transform Fault and the East Pacific Rise. Upwelling of the mantle at lithospheric and asthenospheric depths characterizes most of the Gulf. This more detailed finding is new when compared to previous surface wave studies in the region. A low-velocity zone in northcentral Baja at ∼28oN which extends east–south–eastwards is interpreted as an asthenospheric window. In addition, we also identify a well-defined high-velocity zone in the upper mantle beneath central-western Baja California, which correlates with the previously interpreted location of the stalled Guadalupe and Magdalena microplates. We interpret locations of the fossil slab and slab window in light of the distribution of unique post-subduction volcanic rocks in the Gulf of California and Baja California.We also observe a high-velocity anomaly at 50-km depth extending down to ∼130 km near the southwestern Baja coastline and beneath Baja, which may represent another remnant of the Farallon slab.
    Description: Published
    Description: 1861-1877
    Description: 1T. Geodinamica e interno della Terra
    Description: JCR Journal
    Description: restricted
    Keywords: surface waves ; seismic tomography ; dynamics of lithosphere and mantle ; crustal structure ; 04. Solid Earth::04.06. Seismology::04.06.99. General or miscellaneous
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 34
    Publication Date: 2022-05-24
    Description: Earthquake source inversions based on space-borne Synthetic Aperture Radar interferometry (InSAR) are used extensively. Typically, however, only the line-of-sight (LoS) surface displacement component is measured, which is mainly sensitive to the vertical and E–W deformations, although well-established methods also exist to estimate the flight-path component, which is highly sensitive to the N–S displacement. With high-resolution sensors, these techniques are particularly appealing, because accuracies in the order of 3 cm can be achieved, while retaining spatial resolutions between 45 m and a few km, depending on the required level of filtering. We discuss the application to COSMO-SkyMed SAR imagery of the Spectral Diversity or Multi Aperture Interferometry technique, presenting the first SAR flight-path displacement field associated with the Mw 6.3, 2009 L’Aquila event (central Apennines). Finally, we observe and characterize a previously unknown misregistration pattern.
    Description: Published
    Description: 28-35
    Description: 2T. Tettonica attiva
    Description: JCR Journal
    Description: restricted
    Keywords: Crustal Deformation ; Multi Aperture Interferometry MAI ; InSAR ; L'Aquila Earthquake ; Satellite geodesy ; 04. Solid Earth::04.03. Geodesy::04.03.01. Crustal deformations
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 35
    Publication Date: 2022-05-24
    Description: We present an application of the novel SISTEM approach, to obtain the dense 3D ground deformation pattern produced by the April 6, 2009, Mw 6.3 L’Aquila earthquake. This event, characterized by a SW-dipping normal fault with thousands of foreshocks and aftershocks located in the depth range 5–15 km, is the most destructive to have struck the Abruzzo region since the major 1703 seismic sequence. The surface deformation, revealed by the SISTEM through the integration of GPS with interferometric measurements from the ENVISAT and ALOS satellites, shows a deformed area extending towards SE along the Aterno valley, in agreement with seismological and other geodetic observations. We inverted the SISTEM results using an optimization algorithm based on the genetic algorithm, providing an accurate spatial characterization of ground deformation. Our results improve previous kinematic solutions for the Paganica fault and allow identification of additional faults that have contributed to the observed complex ground deformation pattern.
    Description: Published
    Description: 79-85
    Description: 4T. Fisica dei terremoti e scenari cosismici
    Description: JCR Journal
    Description: restricted
    Keywords: L'Aquila earthquake, SISTEM, GPS ; 04. Solid Earth::04.03. Geodesy::04.03.01. Crustal deformations
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 36
    Publication Date: 2024-04-05
    Description: Secondary microseisms recorded by seismic stations are generated in the ocean by the interaction of ocean gravity waves.We present here the theory for modelling secondary microseismic noise by normal mode summation.We show that the noise sources can be modelled by vertical forces and how to derive them from a realistic ocean wave model. We then show how to compute bathymetry excitation effect in a realistic earth model by using normal modes and a comparison with Longuet–Higgins approach. The strongest excitation areas in the oceans depends on the bathymetry and period and are different for each seismic mode. Seismic noise is then modelled by normal mode summation considering varying bathymetry. We derive an attenuation model that enables to fit well the vertical component spectra whatever the station location. We show that the fundamental mode of Rayleigh waves is the dominant signal in seismic noise. There is a discrepancy between real and synthetic spectra on the horizontal components that enables to estimate the amount of Love waves for which a different source mechanism is needed. Finally, we investigate noise generated in all the oceans around Africa and show that most of noise recorded in Algeria (TAM station) is generated in the Northern Atlantic and that there is a seasonal variability of the contribution of each ocean and sea.
    Description: Published
    Description: 1732-1745
    Description: 1T. Geodinamica e interno della Terra
    Description: JCR Journal
    Description: restricted
    Keywords: Surface waves and free oscillations ; Seismic attenuation ; Theoretical seismology ; Wave propagation ; 04. Solid Earth::04.04. Geology::04.04.99. General or miscellaneous
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 37
    Publication Date: 2024-04-05
    Description: Secondary microseismic noise is generated by non-linear interactions between ocean waves at the ocean surface. We present here the theory for computing the site effect of the ocean layer upon body waves generated by noise sources distributed along the ocean surface. By defining the wavefield as the superposition of plane waves, we show that the ocean site effect can be described as the constructive interference of multiply reflected P waves in the ocean that are then converted to either P or SV waves at the ocean–crust interface. We observe that the site effect varies strongly with period and ocean depth, although in a different way for body waves than for Rayleigh waves. We also show that the ocean site effect is stronger for P waves than for S waves. We validate our computation by comparing the theoretical noise body wave sources with the sources inferred from beamforming analysis of the three seismogram components recorded by the Southern California Seismic Network. We use rotated traces for the beamforming analysis, and we show that we clearly detect P waves generated by ocean gravity wave interactions along the track of typhoon Ioke (2006 September). We do not detect the corresponding SV waves, and we demonstrate that this is because their amplitude is too weak.
    Description: Published
    Description: 1096-1106
    Description: 1T. Geodinamica e interno della Terra
    Description: JCR Journal
    Description: restricted
    Keywords: Body waves ; Site effects ; Theoretical Seismology ; 04. Solid Earth::04.06. Seismology::04.06.99. General or miscellaneous
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 38
    Publication Date: 2024-05-09
    Description: The Sulmona plain (central Italy) is an intramontane basin of the Abruzzi Apennines that is known in the literature for its high seismic hazard. We use extensive measurements of ambient noise to map the fundamental frequency and to detect the presence of geological heterogeneities in the basin. We perform noise measurements along two basin-scale orthogonal transects, in conjunction with 2-D array experiments in specific key areas. The key areas are located in different positions with respect to the basin margins: one at the eastern boundary (fault-controlled basin margin) and one in the deepest part of the basin. We also collect independent data by using active seismic experiments (MASW), down-hole and geological surveys to characterize the near-surface geology of the investigated sites. In detail, the H/V noise spectral ratios and 2-D array techniques indicate a fundamental resonance (f0) in the low-frequency range (0.35–0.4 Hz) in the Sulmona Basin. Additionally, our results highlight the important role that is played by the alluvial fans near the edge-sectors of the basin, which are responsible for a velocity inversion in the uppermost layering of the soil profile. The H/V ratios and the dispersion curves of adjacent measurements strongly vary over a few dozens of meters in the alluvial fan area. Furthermore, we perform 1-D numerical simulations that are based on a linear-equivalent approach to estimate the site response in the key areas, using realistic seismic inputs. Finally, we perform a 2-D simulation that is based on the spectral element method to propagate surface waves in a simple model with an uppermost stiff layer, which is responsible for the velocity inversion. The results from the 2-D modelling agree with the experimental curves, showing deamplified H/V curves and typical shapes of dispersion curves of a not normally dispersive site.
    Description: Published
    Description: 418-439
    Description: 3T. Pericolosità sismica e contributo alla definizione del rischio
    Description: JCR Journal
    Description: restricted
    Keywords: Fourier analysis, Earthquake ground motions, Site effects ; 04. Solid Earth::04.06. Seismology::04.06.04. Ground motion
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 39
    facet.materialart.
    Unknown
    Wiley-Blackwell
    In:  (In Press / Accepted) Zoological Journal of the Linnean Society .
    Publication Date: 2020-04-21
    Type: Article , PeerReviewed
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  • 40
    facet.materialart.
    Unknown
    Wiley-Blackwell
    In:  Geology Today, 31 (4). pp. 153-159.
    Publication Date: 2020-07-30
    Description: The geological development of the Fogo island volcano commenced in the early Quaternary, and much later during the Last Glacial stage this involved a mega-scale lateral collapse of the former edifice. This later event created a large caldera-like landform open to the east, the floor of which is known as the Chã, and subsequently within this a strato-volcanic cone has grown. The last phase of volcanic activity started in late 2014 and persisted for 77 days. It had a devastating impact on the lives of the 1000 plus people who were living within the ‘caldera’, since two large villages and a smaller one were each totally destroyed in a matter of days by the advancing lavas. In addition, large areas of cultivated land, upon which the inhabitants were dependent for their livelihood, were enveloped by lava. The eruption proved to be of a greater magnitude than the immediately preceding one of 1995, when a mass evacuation was necessary but as only a few buildings were affected, resettlement followed. Unfortunately the much greater devastation to the human environment makes it doubtful whether any significant resettlement will be possible after the 2014–2015 event.
    Type: Article , PeerReviewed
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  • 41
    Publication Date: 2020-07-15
    Description: The herbal remedy, milk thistle (Silybum marianum), has been used in traditional medicine for various liver, kidney, and gall bladder ailments. For over a decade, our research group has been investigating the flavonolignans obtained from this medicinal herb for cancer chemoprevention and hepatoprotection.[1–6] Recently, we extended our studies toward examining the diversity as well as distribution patterns of fungal endophytes in leaves, stem, and roots of milk thistle.[7] These fungi inhabit the internal living tissues of the host plants asymptomatically, though they may also cause disease over time.[8] In addition to the phylogenetic profiling of these endophytes, a series of fungal extracts were also examined for chemical composition. Although the plant–endophyte relationship may ormay not be mutualistic, the compounds produced by some endophytes could play a role in the growth and survival of the host. In a previous study, Penicillium restrictum, isolated from milk thistle, yielded promising secondary metabolites.[9] Hence, in pursuit of interesting chemistry, a related monoverticillate endophytic Penicillium sp. was explored.
    Type: Article , PeerReviewed
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  • 42
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Biopolymers 21 (1982), S. 17-24 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Computer simulation shows that the time required to attain near sedimentation equilbrium is dramatically reduced by a two-step initial loading in which a macromolecular solution at low or zero concentration is layered above one at a higher concentration. To achieve the minimum time requires a good estimate of the molecular weight, but at least a 50% reduction in time can be achieved if the molecular weight of the macromolecule is known only within a factor of 2. Numerical solutions to the differential equation of the ultracentrifuge are calculated using the finite element method. An efficient Gaussian elimination algorithm can be used to minimize calculation time and computer storage requirements.
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  • 43
    Electronic Resource
    Electronic Resource
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    Biopolymers 21 (1982), S. 79-88 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The aldehydes present in acid-soluble type I collagen react with pyrenebutyrylhydrazine to form various types of complexes under different reaction conditions. These complexes exhibit one or more of three different pyrene fluorescence bands: monomer, excimer, and aggregate fluorescence. Collagen, whose aldehydes have been reduced with NaBH4, does not react with this fluorescent hydrazine, confirming that the hydrazine reacts specifically with aldehyde groups to form hydrazones. The absence of a reaction with pepsin-treated collagen also shows that the fluorescent labels are primarily in the nonhelical terminal telopeptides. Upon dialysis, the pyrene label bound to a saturated aldehyde in an α-chain is lost; whereas that bound to an unsaturated aldehyde remains on the protein. The pyrene monomer fluorescence in the β-chain of old collagen is stronger than that of young collagen. The formation of the pyrene excimer fluorescence implies the proximity of two pyrene molecules, probably attached to two adjacent aldehydes. Upon changing from acidic to neutral pH, both excimer and aggregate fluorescence bands disappear within a few seconds, revealing a very rapid alteration at the telopeptides.
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  • 44
    Electronic Resource
    Electronic Resource
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    Biopolymers 21 (1982), S. 147-157 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We describe conditions which lead to complete helix formation of poly(I) in the presence of NH4+. Binding of NH4+ is shown to be specific in the presence of Li+, which does not by itself support helix formation under these conditions. The NH4+-poly(I) complex is characterized by uv, CD, and ir spectroscopy. The CD spectrum is strikingly different from those of the Na+ or K+ complexes, the first extremum being changed from negative for the metal ions to positive for NH4+. A stereospecific model is proposed for the NH4+-poly(I) helix in which the N of NH4+ is located on the axis of the four-stranded helix, midway between planar tetramers formed by the bases. The model is consistent with the tetrahedral symmetry of NH4+, the requirement for four acceptable hydrogen bonds, the observed stability of the helix, and the accepted geometry of the backbone.
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  • 45
    Electronic Resource
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    Biopolymers 21 (1982), S. 159-167 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It has recently been proven that the counterion condensate around an isolated line charge in an electrolyte, as characterized by nonlinear Poisson-Boltzmann theory, is an encapsulating δ-function. Here the identical result is shown to hold in the framework of the polyelectrolyte theory of Fuoss, Katchalsky, and Lifson. The proof fully exploits analytic solutions to the differential equation which are not available for the nonlinear, cylindrical Poisson-Boltzmann equation.
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  • 46
    Electronic Resource
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    Biopolymers 21 (1982), S. 203-218 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The extent and modes of binding of the divalent metal ions Mn2+ and Co2+ to DNA and the effects of salt on the binding have been studied by measurements of the effects of these paramagnetic metal ions on the longitudinal and transverse relaxation rates of the protons of the solvent water molecules, a technique that is sensitive to overall binding. The number of water molecules coordinated to the DNA-bound Mn2+ and Co2+ is found to be between five and six, and the electron spin relaxation times and the electron-nuclear hyperfine constants associated with Mn2+ and Co2+ are little or not affected by the binding. These observations indicate little disturbance of the hydration sphere of Mn2+ and Co2+ upon binding to DNA. An average 2-3-fold reduction in the exchange rate of the water of hydration of the bound metal ions and an order-of-magnitude increase in their rotational correlation time are attributed to hydrogen-bond formation with the DNA. The binding constants of Mn2+ to DNA, at metal concentrations approaching zero, are found to be inversely proportional to the second power of the salt concentration, in agreement with the predictions of Manning's polyelectrolyte theory. A remarkable quantitative agreement with the polyelectrolyte theory is also obtained for the anticooperativity in the binding of Mn2+ to DNA, although the experimental results can be well accounted for by another simple electrostatic model. The various modes of binding of divalent metal ions to DNA are discussed.
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  • 47
    Electronic Resource
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    Biopolymers 21 (1982), S. 265-275 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The dc electrical conductivity of films of the polyelectrolyte complexes of glycol chitosan (GlChi) with the sodium salts of dextran sulfate (DS), carboxymethyl cellulose (CMC), polygalacturonic acid (GalUA)n, and alginic acid (AlgA) was measured at temperatures above and below room temperature. The maximum field strength in the thinnest film used amounted to 3 × 104 V/cm. A plot of normalized current against the reciprocal of the absolute temperature revealed two regions with different slopes, and activation energies in these two regions have been obtained for all the complexes. The activation energies in the high-temperature region vary from 0.85 to 1.18 eV and in the low-temperature region from 0 to 0.22 eV. Reasons are given to show that the conductivity is probably ionic. Near room temperature, the current-voltage relation is almost linear in the GlChi-DS complex, while in the other three complexes the current varies as a power n of the voltage with the value of n ranging from 1.7 to 2.5. A rise in temperatures causes an increase in the slope of the log I vs log V plot in GlChi-DS and GlChi-CMC complexes. The nonlinear current-voltage relation is ascribed to a space-charge-limited conductivity.
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  • 48
    Electronic Resource
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    Biopolymers 21 (1982), S. 301-319 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Five different glucomannan samples were recrystallized from dilute solution. Depending on the experimental conditions, the crystals obtained could be identified as corresponding to the mannan I (anhydrous precipitate of more or less regular lozenge-shaped crystals) or mannan II (hydrated gel-forming pseudo-fibrillar precipitate). High-molecular-weight material, low temperature of crystallization, or a polar crystallization medium favored the mannan II polymorph, whereas a low-molecular weight, a high temperature of crystallization, and a crystallization medium of low polarity yielded the mannan I polymorph. Since the base-plane unit-cell dimensions are fairly constant with respect to variation of glucose, it is likely that isomorphous replacement of mannose by glucose occurs in glucomannan crystallization; the data also indicate that perfection of the glucomannan crystals was reduced in specimens having a high glucose:mannose ratio. The oriented crystallization of glucomannan on cellulose microfibrils was also studied under conditions where the mannan I polymorph was obtained. This gave shish-kebab structures that were characterized.
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  • 49
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The primary hydration process of native biopolymers is analyzed in a brief review of the literature, pertaining to various aspects of biopolymer-water systems. Based on this analysis, a hydration model is proposed that implies that the solution conformation of native biopolymers is stable at and above a critical degree of hydration (hp′ = 0.06-0.1 g H2O/g polymer). This water content corresponds to the fraction of strongly bound water, and amounts to ∼20% of the primary hydration sphere. In order to test this model, detailed sorption-desorption scanning experiments were performed on a globular protein (α-chymotrypsin). The results obtained are consistent with the proposed hydration model. They show that under certain experimental conditions, sorption isotherms can be obtained that do not exhibit hysteresis. These data represent equilibrium conditions and are thus accessible to thermodynamic treatment. Valid thermodynamic functions, pertinent to the interaction of water with biopolymers in their solution state, can be obtained from these sorption experiments.
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  • 50
    Electronic Resource
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    Biopolymers 21 (1982), S. 451-458 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The light scattering of bovine serum albumin (BSA) has been measured at protein concentration up to 90 g/L and at pH values between 4.4 and 7.6. The dependence of scattering on both protein concentration and pH may be quantitatively accounted for by a simple extension of the hard-sphere model for protein solutions [Ross, P. D. & Minton, A. P. (1977) J. Mol. Biol. 112, 437-452] allowing for electrostatic repulsions between molecules. According to the extended model, the radius of the effective hard spherical particle representing BSA varies with the net electrical charge of the BSA molecule in a manner which may be calculated from electrostatic theory.
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  • 51
    Electronic Resource
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    Biopolymers 21 (1982), S. 475-497 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A complete analysis of all possible conformations with correct hydrogen bonds of the collagen II type was performed on the basis of developed simultaneous equations. Using a unimodal search (by varying Ψ3), the energetically favorable structure was obtained. No other energetically satisfactory structural solutions are possible. The next aim was to obtain a precise model of the molecule. The program used includes a subroutine for continual deformation of the pyrrolidine rings. The set of parameters determining the structure consists of 14 independent variables (8 dihedral and 6 bond angles). As starting points for the energy optimization, conformations produced by scanning and some structures from previous work were used. The final structures (practically the same for both polymers) have helix parameters h = 0.285 nm and t = 52°, which are in excellent agreement with the 7/2 symmetry of diffraction data. The conformations of the pyrrolidine rings are of the B type, i.e., C2-Cβ-exo-Cγ-endo. For both polypeptides, the conformations of imino acids in position 3 of the triplet are the same; in position 2, however, they are slightly different. The difference in diffraction patterns for the 7/2 and 10/3 helices is discussed.
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  • 52
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    Biopolymers 21 (1982), S. 547-563 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The CD spectrum of the enzyme adenylate kinase has been investigated. Theoretical calculations, based on the x-ray crystal structure, have been carried out by means of an origin independent matrix formalism. The entire molecule was included in the calculations in the sense that essentially all electronic transitions that occur at wavelengths longer than 185 nm were included in the basis set. A linear dielectric function was utilized to evaluate the intertransition coupling potentials. The results of the theoretical calculations were in reasonable agreement with experimental CD spectra of the molecule.
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  • 53
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    Biopolymers 21 (1982), S. 633-652 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The mode of action of many antitumor agents entails the inhibition of nucleic acid synthesis. Because many of the drugs can intercalate, it is assumed that intercalation is an important step in the mechanism of biological activity. As intercalants contain a planar chromophore as an ingredient essential for intercalation, chromophores that should fit into DNA are desired. This is the main theme of this investigation. Binding to DNA of fundamental moieties, protonated pyridine, aniline, phenol, quinone, and 4H-thiopyran-4-one, is studied to determine their optimum placement in DNA. The optimum orientations for each moiety are superimposed to form polyaromatic systems that can intercalate in a manner in which functional groups on these chromophores are oriented as in the moieties themselves. Ideal intercalants proposed contain three and four fused ring system, have protonated ring nitrogen atoms located to maximize the electrostatic interactions with DNA, hydroxy and amino groups that can hydrogen bond to the OII and O5′ phosphate backbone atoms, and carbonyl and sulfur groups in the central position of the ring system to provide variations in the chromophore and to interact with the relatively positive region in the intercalation site. The optimum orientation occurs when the chromophore and the base pairs overlap to the maximum extent. The ideal intercalants are fundamentally of the type:
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  • 54
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    Biopolymers 21 (1982), S. 665-677 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: DNA reassociation kinetics using the phenol emulsion reassociation technique (PERT) [Kohne, D. E., Levison, S. A. & Byers, M. J. (1977) Biochemistry 16, 5329-5341] has been investigated at high DNA concentrations using an endonuclease S1 assay of reaction progress. Apparent second-order rate constants fall on two intersecting straight lines when presented as a function of DNA concentrations on a log-log plot. In the low DNA concentration range, the rate constants drop about 10-fold when concentration increases 1000-fold. In the high DNA concentration range, the rate constants drop more than 10-fold when concentration increases 10-fold. The slopes of these lines are the same in different solvents and at different temperatures. The intersection between the lines occurs when the available catalytic surface is saturated. At high DNA concentrations, high-complexity heterologous denatured DNA apparently competes 2-4 times better for the surface than homologous DNA because it does not participate in a reassociation reaction. Native and partially native DNA molecules cannot compete with single-stranded DNA for a saturated surface. At high DNA concentrations, reactions using PERT become dependent on the single-strand DNA length. Increasing length lowers reassociation rates.
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  • 55
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
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    Topics: Chemistry and Pharmacology
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  • 56
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    Biopolymers 21 (1982), S. 859-872 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Classical potential functions (CPF) calculations on 3′-mononucleotides, the building blocks of nucleic acids, predict a correlation between the sugar ring pucker and the torsion angle Φ′ around the C3′—O3′ bond. In ribonucleotides, the value of Φ′ depends on the sugar pucker, viz. the C2′-endo sugar pucker is associated with Φ′ = 210° and 270°, while the C3′-endo sugar pucker favors only Φ′ = 210°. On the other hand, in deoxyribonucleotides, both sugar puckers show a preference for Φ′ = 180°. These theoretical predictions are fully corroborated by the results obtained from x-ray and nmr studies on mono-, di-, and polynucleotides.
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  • 57
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    Keywords: Chemistry ; Polymer and Materials Science
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    Topics: Chemistry and Pharmacology
    Notes: The effect of several surfactants on the secondary structure of bovine β-lactoglobulin B was determined from the circular dichroism spectra. The spectra were measured at several concentrations of surfactant ranging from 1 mg/mL to the critical micelle concentration. The surfactants studied were sodium dodecyl, decyl, and octyl sulfate, sodium dodecyl sarcosinate, dodecyltrimethylammonium bromide. The data were analyzed using the method of Chen et al. [Biochemistry (1974) 13, 3350-3359] to determine the percentage of α-helix, β-sheet, and unordered form at each surfactant concentration. In every case, an increase in structured form and a 20-25% decrease in the amount of unordered form was noted when the surfactant concentration reached the critical micelle concentration. However, the relative amounts of the two structured forms present depend on the surfactant used. The profile of the secondary structure of the protein also varied from surfactant to surfactant as the protein was titrated, probably reflecting the delicate balance between ionic and nonionic forces that governs the secondary structure of β-lactoglobulin and most other globular proteins in aqueous solution.
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  • 58
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Amino acids are known to differ in their individual preferences for each of the four positions of the β-turn conformation formed by tetrapeptide segments. Proline and glycine show relatively high preferences for positions 2 and 3, respectively, of the β-turn. Using tripeptides of the type N-acetyl-Pro-Gly-X-OH, where X = Gly, Ala, Leu, Ile, and Phe, we have sought to study the influence of the 4th residue X on the stability of the β-turn conformation in these tripeptides. Our nmr and CD results show that the β-turn stability is quite significantly governed by the nature of the amino acid residue at this position in the following order: Leu 〉 Ala 〉 Ile, Gly 〉 Phe.
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  • 59
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    Biopolymers 21 (1982), S. 1153-1166 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Thermodynamic studies of the binding of adamantanecarboxylate to cyclodextrins have been made as a function of temperature and added organic cosolvent (methanol) using flow microcalorimetry. The negative heat capacity change associated with the adamantanecar-boxylate/β-cyclodextrin interaction and the fact that the interaction is weakened by the addition of methanol implicate the binding process as being a hydrophobically driven one. The negative enthalpy change (ΔH0 = -5.5 kcal/mol) and near-zero entropy change (ΔS0 = 1.5 cal/mol deg) are quite different from the values normally expected for a hydrophobic bond, indicating that other bonding forces are important in addition to the hydrophobic effect. The relative contribution of the hydrophobic effect and other bonding forces (most likely van der Waals forces) to the overall binding was judged from an analysis of the dependence of the thermodynamics of the association process on the surface tension of the water-methanol mixtures following a model for “solvophobic” bonding described by Sinanoglu [Molecular Associations in Biology (1968) Academic Press, New York, pp. 427-445]. From this analysis, adamantane-carboxylate/cyclodextrin complex formation is found to be driven to the extent of -1.9 kcal/mol by the hydrophobic effect. Furthermore, the hydrophobic driving force is found to be characterized by a positive ΔS0 of 10 cal/mol deg. The remaining free energy of binding (and the ΔH0 of binding of ∼-6 kcal/mol) is then due to the intrinsic (surface-tension-independent) van der Waals interaction between the ligand and cyclodextrin cavity.
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    Biopolymers 21 (1982) 
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    Keywords: Chemistry ; Polymer and Materials Science
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  • 61
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Pivaloyl-L-Pro-Aib-N-methylamide has been shown to possess one intramolecular hydrogen bond in (CD3)2SO solution, by 1H-nmr methods, suggesting the existence of β-turns, with Pro-Aib as the corner residues. Theoretical conformational analysis suggests that Type II β-turn conformations are about 2 kcal mol-1 more stable than Type III structures. A crystallographic study has established the Type II β-turn in the solid state. The molecule crystallizes in the space group P21 with a = 5.865 Å, b = 11.421 Å, c = 12.966 Å, β = 97.55°, and Z = 2. The structure has been refined to a final R value of 0.061. The Type II β-turn conformation is stabilized by an intramolecular 4 → 1 hydrogen bond between the methylamide NH and the pivaloyl CO group. The conformational angles are φPro = -57.8°, ψPro = 139.3°, φAib = 61.4°, and ψAib = 25.1°. The Type II β-turn conformation for Pro-Aib in this peptide is compared with the Type III structures observed for the same segment in larger peptides.
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  • 62
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    Biopolymers 21 (1982), S. 1333-1363 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The folding-unfolding process of reduced bovine pancreatic trypsin inhibitor was investigated with an idealized model employing approximate free energies. The protein is regarded to consist of only Cα and Cβ atoms. The backbone dihedral angles are the only conformational variables and are permitted to take discrete values at every 10°. Intraresidue energies consist of two terms: an empirical part taken from the observed frequency distributions of (φ,ψ) and an additional favorable energy assigned to the native conformation of each residue. Interresidue interactions are simplified by assuming that there is an attractive energy operative only between residue pairs in close contact in the native structure. A total of 230,000 molecular conformations, with no atomic overlaps, ranging from the native state to the denatured state, are randomly generated by changing the sampling bias. Each conformation is classified according to its conformational energy, F; a conformational entropy, S(F) is estimated for each value of F from the number of samples. The dependence of S(F) on energy reveals that the folding-unfolding transition for this idealized model is an “all-or-none” type; this is attributable to the specific long-range interactions. Interresidue contact probabilities, averaged over samples representing various stages of folding, serve to characterize folding intermediates. Most probable equilibrium pathways for the folding-unfolding transition are constructed by connecting conformationally similar intermediates. The specific details obtained for bovine pancreatic trypsin inhibitor are as follows: (1) Folding begins with the appearance of nativelike medium-range contacts at a β-turn and at the α-helix. (2) These grow to include the native pair of interacting β-strands. This state includes intact regular secondary conformations, as well as the interstrand sheet contacts, and corresponds to an activated state with the highest free energy on the pathway. (3) Additional native long-range contacts are completely formed either toward the amino terminus or toward the carboxyl terminus. (4) In a final step, the missing contacts appear. Although these folding pathways for this model are not consistent with experimental reports, it does indicate multiple folding pathways. The method is general and can be applied to any set of calculated conformational energies and furthermore permits investigation of gross folding features.
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  • 63
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    Keywords: Chemistry ; Polymer and Materials Science
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    Topics: Chemistry and Pharmacology
    Notes: Peptide NH chemical shifts and their temperature dependences have been monitored as a function of concentration for the decapeptide, Boc-Aib-Pro-Val-Aib-Val-Ala-Aib-Ala-Aib-Aib-OMe in CDCl3 (0.001-0.06M) and (CD3)2SO (0.001-0.03M). The chemical shifts and temperature coefficients for all nine NH groups show no significant concentration dependence in (CD3)2SO. Seven NH groups yield low values of temperature coefficients over the entire range, while one yields an intermediate value. In CDCl3, the Aib(1) NH group shows a large concentration dependence of both chemical shift and temperature coefficient, in contrast to the other eight NH groups. The data suggest that in (CD3)2SO, the peptide adopts a 310 helical conformation and is monomeric over the entire concentration range. In CDCl3, the 310 helical peptide associates at a concentration of 0.01M, with the Aib(1) NH involved in an intermolecular hydrogen bond. Association does not disrupt the intramolecular hydrogen-bonding pattern in the decapeptide.
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    Biopolymers 21 (1982), S. 1469-1472 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    Biopolymers 21 (1982), S. 1479-1487 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A formalism for extracting the conformations of a proline ring based on the bistable jump model of R. E. London [(1978) J. Am. Chem. Soc. 100, 2678-2685] from 13C spin-lattice relaxation times (T1) is given. The method is such that the relaxation data are only partially used to generate the conformations; these conformations are constrained to satisfy the rest of the relaxation data and to yield acceptable ring geometry. An alternate equation for T1 of 13C nuclei to that of London is given. The formalism is illustrated through an example.
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    Biopolymers 21 (1982), S. 1521-1534 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We have used broadline proton magnetic resonance to study molecular motion in cellulose, a sodium pectate solution, a calcium pectate gel, and isolated bean cell walls. All samples were prepared in D2O to minimize the contribution of water to the observed signals. For each sample, a free induction decay was obtained, and the second moment, spin-lattice relaxation, and dipolar relaxation were measured. Our results show that the large majority of protons in cellulose are immobile. Rigid and mobile domains were also observed in the pectate samples. We have shown that gelation induces large-scale changes in the free induction decay, the second moment, and the relaxation behavior of the pectate. As with the other samples, rigid and more mobile domains were found in bean cell walls. The fraction in the rigid domains is much larger than the fraction of cellulose in the sample, suggesting that the noncellulosic wall components are also organized into rigid and mobile domains.
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  • 67
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    Keywords: Chemistry ; Polymer and Materials Science
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    Topics: Chemistry and Pharmacology
    Notes: Conformational energy computations were carried out on collagenlike triple-stranded conformations of several poly(tripeptide)s with the general structure CH3CO—(Gly—X—Y)3—NHCH3. The sequences considered had various amino acid residues in position X or Y of the central tripeptide, with either Pro or Ala as a neighbor, i.e., Gly-X-Pro, Gly-X-Ala, Gly-Pro-Y, and Gly-Ala-Y. Minimum-energy conformations were computed for the side chains, and their distributions were compared for the four sequences. The residues used were Abu (= α-aminobutyric acid), Leu, Phe, Ser, Asp, Asn, Val, Ile, and Thr. The conformational energy of a —Ch2—CH3 side chain in Abu was mapped as a function of the dihedral angle χ1. Intrastrand interactions with neighboring residues do not affect the conformations of a side chain in position Y, and they have a minor effect on it in the X-Ala sequence, but they strongly restrict the conformational freedom of the side chain in the X-Pro sequence. Conversely, interstrand interactions do not affect side chains in position X, but they strongly restrict the conformational freedom of a side chain in position Y if there is a nearby Pro residue in a neighboring strand. Hydrogen bonds with the backbone can be formed in some conformations of long polar side chains, such as Asp, Asn, or Gln. All amino acid residues can be accommodated in collagen. Because of the interactions mentioned above, steric and energetic constraints can be correlated with observed preferences of certain amino acids for positions X or Y in collagen. Hence, these preferences may be explained, in part, in terms of differences in the conformational freedom of the side chains in the triple-stranded structure.
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    Biopolymers 21 (1982), S. 1657-1666 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The ionization constants of the tyrosyl groups of chymotrypsinogen and of nitrated-chymotrypsinogen (two tyrosyl residues nitrated) have been determined by difference spectrophotometry. In chymotrypsinogen, two of the four tyrosyl groups ionize without any time dependence. Above pH greater than ca. 12.5, time-dependent spectral changes are seen for 0.7 group equivalent. The data can be fitted to the values of pK′1 9.75 ± 0.07, pK′2 11.55 ± 0.05, pK′3 13.30 ± 0.05. In nitrated-chymotrypsinogen, the two nitrated tyrosyl residues have pK′1 6.44 and pK′2 8.30. For both proteins, these pK′ values are in agreement with those evaluated from potentiometric titration and calorimetric data using computer-assisted curve-fitting analysis.
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    Biopolymers 21 (1982), S. 2195-2203 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The conformation of several samples of poly(α,β-L-Asp) with a molar fraction of β-bonds ranging from 0.1 to 0.55 was investigated by means of ir and CD spectroscopy and potentiometric titration and compared with the results obtained previously with poly(α-L-Asp). All samples investigated underwent a conformational change induced by changes in their degree of ionization: unpronounced ir absorption of amide V at 650 cm-1 was shifted to 620 cm-1 and substantially increased on deionization; CD spectra changed with the degree of ionization, passing through an isosbestic point; and the pattern of the titration curves was more complex than that of a simple polyelectrolyte. The conformation developing with the decreasing degree of ionization may be considered to be α-helix, as deduced according to the analogous behavior of other polypeptides. The extent of the conformational change in the individual samples depends on the molar fraction of β-bonds: the higher it is, the lower is the helix-forming ability of the sample.
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    Biopolymers 21 (1982), S. 2225-2239 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The use of 1H-nmr spectroscopy is demonstrated to be a useful analytical method to characterize the structure of synthetic peptides attached to soluble, macromolecular polyoxyethylene (POE) supports in the liquid-phase method (LPM) of peptide synthesis. We report an extensive 360-MHz 1H-nmr study of POE-bound homo-oligo-L-methionine peptides. A combination of high field and selective saturation or Redfield pulse methods allows resolution of individual backbone NH and α-CH resonances of dilute peptides in the presence of strong resonances from macromolecular POE and/or protonated solvents. The nmr spectra for the POE-bound peptides in CDCl3 are qualitatively similar to those of the low-molecular-weight Boc-L-Metn-OMe peptide esters. This corroborates other observations that POE has little effect on peptide stucture. The backbone α-CH region of peptides is overlapped by signals from the terminal oxyethylene group of POE, but the peptide side-chain and low-field backbone NH resonances are well resolved. In trifluoroethanol the Boc-(L-Met)n-NH-POE heptamer and octamer adopt the right-handed α-helical structure, and the present nmr studies provide evidence for two strong intramolecular hydrogen bonds to stabilize the helices. In water, the N-deblocked derivatives, (L-Met)n-NH-POE oligomers adopt β-sheet structure and manifest well-resolved nonequivalent NH resonances with 6-7 Hz 3JNH-CH coupling constants.
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    Biopolymers 21 (1982), S. 2241-2252 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The concerted model of Monod, Wyman, and Changeux is generalized so that all effects of interactions for an enzyme operating at a nonequilibrium stationary state are considered. In contrast to the original model, which is based on an analogy to equilibrium ligand binding, the generalization may show both “positive” and “negative cooperativity” in both catalytic binding and conformational processes. Furthermore, in contrast to any equilibrium binding model, the Hill coefficients may be greater than the number of sites n. For catalysis, the maximum value is 2n, and for conformational changes, n + 1. These points are illustrated by two cases that yield simpler analytic expressions. The first obtains when catalysis occurs on a much faster time scale than the conformational changes, and the second, when this situation is reversed.
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    Biopolymers 21 (1982), S. 2315-2316 
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    Keywords: Chemistry ; Polymer and Materials Science
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    Topics: Chemistry and Pharmacology
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    Biopolymers 21 (1982), S. 1473-1477 
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    Keywords: Chemistry ; Polymer and Materials Science
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    Topics: Chemistry and Pharmacology
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    Biopolymers 21 (1982) 
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    Keywords: Chemistry ; Polymer and Materials Science
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    Biopolymers 21 (1982), S. 1503-1520 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: By combining gel permeation chromatography (GPC) and light-scattering spectroscopy, including photon correlation and angular distribution of absolute scattered intensity, we were able to characterize immunologically active Haemophilus influenzae type b polysaccharide (HIB Ps) bovine serum albumin (BSA) conjugates in terms of equivalent hydrodynamic radius rh ∼ (6.2 ± 0.6) × 102 Å, apparent radius of gyration rg ∼ (5.4 ± 0.3) × 102 Å, apparent molecular weight Mw ∼ (3.5 ± 0.4) × 106 g/mol, and a second virial coefficient A2 ∼ (1.9 ± 0.3) × 10-4 cm3 mol/g2. We could study the effects of each of the processes in the conjugate formation according to the following procedure: BSA (dialysis, modification, fractionation) + HIB Ps → HIB Ps/BSA conjugate (conjugate formation, fractionation). Narrow distributions of HIB Ps BSA conjugate formation can be achieved using fractionated BSA.
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    Biopolymers 21 (1982), S. 1569-1586 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We have measured the ir absorption of 5′CMP, 5′IMP, and poly(I)·poly(C) from ∼25 to ∼500 cm-1. From a comparison of the data with the previously measured absorption of the corresponding nucleosides and bases we can identify several “lines” associated with the deformation of the ribose ring. Out-of-plane deformation of the bases contributes strongly to vibrations near 200 cm-1. The same ribose vibrations observed in the nucleotides are found in poly(I)·poly(C). They sharpen with increasing water absorption. A study of the spectra of poly(I)·poly(C) as a function of the adsorbed water indicates that water does not contribute in a purely additive fashion to the polynucleotide spectrum but depends on the conformation of the helix. However, the only spectral feature that shifts drastically with conformation is near 45 cm-1. Measurements at cryogenic temperatures indicate some sharpening of the spectrum of poly(I)·poly(C). Instead, no sharpening is observed in the spectrum of the nucleotides. Shear degradation of poly(I)·poly(C) produces significant spectral changes in the 200-cm-1 region and sharpening of the features assigned to the low-frequency ribose-ring vibrations.
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    Biopolymers 21 (1982), S. 1735-1747 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A study of the oxygen replacement reaction of carbon monoxide-saturated hemoglobin (HbA0) was carried out using spectroscopic, calorimetric, and pH titration methods. Under fully saturated conditions the replacement reaction can be defined by a single partition constant over all ratios of bound oxygen to carbon monoxide. This indicates that under saturating conditions Haldane's first law for the ligand binding of gas mixtures holds for any CO/O2 ratio. It further shows that there is no appreciable difference in relative CO-O2 affinity between the α- and β-chains. The same partition coefficient was found to hold for different pH, buffer, and allosteric effector conditions. The lack of any pH dependence of the partition coefficient was confirmed by the absence of proton changes for the replacement reaction. The temperature dependence of the partition coefficient and calorimetric results yield a value for the enthalpy of the reaction of -3.65 ± 0.29 kcal/mol/heme.
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    Biopolymers 21 (1982), S. 1763-1780 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We demonstrate that the isotropic absorption and linear dichroism in an unknown flow field can be used to determine base tilt in polynucleotides if three transitions are measured and the directions of the corresponding dipoles are known. The method is applied here to reach conclusions about the base tilt in poly(rA), poly(rA)+·poly(rA), and poly(rC). The respective values are: 28° tilt about the axis + 50° toward C8 from the C1′ → N9, and 25° tilt about the axis + 118° toward C5 from C1′ → N1. The results for poly(rA)+·poly(rA) are consistent with the accepted model. Spectra were measured for poly(rC)+·poly(rC), but definite conclusions must await reliable directions for transition dipoles. The dipole direction for the 218-nm transition in rC is found to be +13° or +43° toward C5 from C1′ → N1. The CD spectra to about 168 nm are presented and discussed.
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    Biopolymers 21 (1982), S. 1811-1832 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Measurements of stress relaxation in uniaxial extension and associated time-dependent birefringence have been made on bovine fibrin film, prepared by gentle compaction of coarse fibrin clots, containing 13-22% fibrin plasticized with either aqueous buffer or glycerol. Both unligated and ligated (i.e., with α-α and γ-γ ligation by fibrinoligase, factor XIIIa) films were studied. Both types showed two stages of stress relaxation, with time scales of approximately 10 and 103-104 s, respectively, with a plateau region between. In the plateau, the nominal (engineering) stress for ligated glycerol-plasticized film is proportional to In λ, where λ is the stretch ratio, up to λ ≅ 2, and it decreases with increasing temperature. For unligated glycerol-plasticized film, the stresses are smaller by a factor of one-half to one-third. For ligated film, the second stage of relaxation is relatively slight, and recovery after release of stress is often nearly complete. For unligated film, the second stage involves a substantial drop in stress, and after recovery there is a significant permanent set. A second relaxation for ligated film reproduces the first, but for unligated film it reproduces the first only if the initial relaxation is terminated before the second stage; otherwise, the second relaxation shows a weaker structure. The behavior of water-plasticized film is similar to that of glycerol-plasticized except that the second stage of relaxation occurs at shorter times. During the first stage of stress relaxation, up to about 100 s, the birefringence and the stress-optical coefficient increase; during the plateau zone of stress relaxation, the birefringence of ligated films is approximately constant and is proportional to 2λ2/(λ2 + 1) - 1, where λ is the stretch ratio. This dependence is predicted by a two-dimensional model in which rodlike elements in the plane of the film are oriented with independent alignment. During the final stage of stress relaxation, the birefringence of ligated films decreases slightly; that of unligated films decreases substantially, but less rapidly than the stress, corresponding to a further increase in the stress-optical coefficient. With additional information from small-angle x-ray scattering reported in an accompanying paper, the first stage of relaxation is attributed to partial release of bending forces in the fibers by orientation, accompanied by increased birefringence. The second stage is attributed, for ligated films, to an internal transition in the fibrin units accompanied by elongation of some of the fibers; and in the unligated films, to a combination of the latter transition with slippage of protofibrils lengthwise within the fiber bundles that causes some loss of orientation, which diminishes the birefringence.
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  • 80
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    Biopolymers 21 (1982), S. 1899-1908 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A microscope capable of measuring the CD of intact single eukaryotic cells, DNA microcrystals, and other microscopic structures has been constructed and tested. It can measure the CD spectra in the 200- and 800-nm wavelength range and consists of a modification to a standard Cary 60 CD machine in combination with a Zeiss uv microspectrometer. Preliminary CD spectra of red blood cells and lymphocytes are presented.
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  • 81
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    Biopolymers 21 (1982), S. 1909-1926 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The distribution of fibers in agarose gels has been studied by electron-microscopic examination of replicas formed from freeze-fracture surfaces. For gels set in water, the results obtained support the model proposed for the gel structure by Arnott et al. (1974) of a random array of long, straight, connected fibers, with each fiber having a diameter equivalent to that of an aggregate of approximately 10-30 agarose helixes, depending on the initial agarose concentration. The density of these fibers, their water content, and the total length of fibers per unit volume have been derived from the measured distribution of intersections per unit area of freeze-fracture surfaces. For gels set in the presence of salt, the distribution of fibers becomes distinctly non-Poissonian, leading to larger interfiber spaces and a gel of greater effective pore size. The larger pore size of gels set in the presence of salt also has been revealed by electrophoretic measurements in which the relative migration rates of plasmid DNA molecules of varying conformations have been determined.
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  • 82
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    Biopolymers 21 (1982), S. 1933-1943 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Energy embedding has been shown recently to be a useful extension of the distance geometry approach to conformational calculations in the case of very small molecules and simple energy functions. This paper tests the ability of energy embedding to locate low energy conformations satisfying both weak and strong geometric constraints when the molecule is the small protein, bovine pancreatic trypsin inhibitor, and the energy function is the complicated Oobatake-Crippen residue-residue potential. Using the potential function alone, the algorithm reaches a structure with energy lower than that of the native conformation, but with little resemblance to it. Aided by numerous geometric constraints, such as preformed secondary structure segments, the algorithm again finds a local minimum with energy better than that of the native, and with only 3.3 Å rms deviation from it. This is significantly closer to the native value than can be obtained using standard distance geometry and the geometric constraints alone. Thus, energy embedding using the Oobatake-Crippen potential function is a significant help in finding native conformations of proteins. However, additional trials on a hairpin bend fragment of trypsin inhibitor demonstrate the potential's shortcomings in encouraging proper secondary structure.
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  • 83
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Molecular-mechanics calculations have been carried out on the base-paired deoxy dodecanucleoside undecaphosphates d(CGCGAATTCGCG)2 and d(A12)·d(T12). These refinements were carried out using the model-built Arnott B-DNA geometry as initial coordinates (with a helix repaeat of 10.0 residues/turn), as well as helix repeats ranging from 9 to 12 residues/turn. There was some variation in the optimum calculated helix repeat, depending on the dielectric model, the presence or absence of counterions, and the method used for inclusion for nonbonded interactions; the most interesting general result of these calculations was the coupling between furanose sugar puckering and twist. This coupling was observed for all models. With a helix repeat of 9.0 residues/turn, all sugars remain C(2′)endo after refinement; as the helix repear increases to 12.0 residues/turn, the number of sugars repuckering to O(1′)endo and C(3′)endo increases also. With our most rigorous model (i.e., a model with no cutoff distance for nonbonded interactions) and a helix repeat of 10.0 residues/turn, we find a greater tendency for pyrimidine than purine repuckering in d(CGCGAATTCGCG)2, in agreement with the x-ray structural data of Drew et al. [(1981) Proc. Natl. Acad. Sci. USA 78, 2179-2185].We also carried out a number of calculations in which we “forced” one of two deoxy sugars to repucker or one of the C3′-O3′-P-O5′ (ω) torsion angles to change from gauche- to trans using dihedral angle constraints. After the constraints were removed, some of these structures “reverted” to the sugar pucker of the initial structures, while others remained repuckered. In all cases, the energies for repuckered structures after refinement were very similar to energies of the initial structure. Experiments and theory suggest that local conformational fluctuations play an essential role in nmr relaxation of 31P and 13C atoms in double-helical DNA. The results of our previous calculations on hexanucleoside phosphates and the calculations presented there are consistent with an important contribution to nmr relaxation processes of conformational changes in the torsion angle ω′ from gauche- to trans and deoxy sugar repuckering from C(2′)endo to C(3′)endo. Specifically, the calculations presented here indicate a very flexible phosphate backbone in helixes having an intermediate helix repeat of 10 to 11 residues/turn. These helixes may accommodate sugars of variable pucker without significantly disrupting base-base hydrogen-bonding and stacking interactions. All of the variant structures are similar in energy, suggesting that conversion between them can occur on a nanosecond time scale, as observed in nmr relaxation experiments.
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  • 84
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The microwave absorption of aqueous solutions of DNA extracted from E. coli has been studied between 8 and 12 GHz by the use of an optical heterodyne technique. By measuring optically the temperature rise produced in an absorbing sample by pulsed microwave radiation, unambiguous, direct measurement of the microwave absorption is possible. Our results show that E. coli DNA absorbs microwaves in the 8-12-GHz region substantially more efficiently than water, which is itself an extremely efficient absorber. The observed absorption is featureless and decreases slightly with increasing frequency. These observations are consistent with an explanation involving direct absorption by longitudinal acoustic modes of the double helix.
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  • 85
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    Biopolymers 21 (1982), S. 251-263 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The formation of polyelectrolyte complexes of glycol chitosan (GlChi) with sodium salts of dextran sulfate (DS), carboxymethyl cellulose (CMC), polygalacturonic acid (GalUA)n, and alginic acid (AlgA) has been studied. The number of ionizable groups per pyranose ring and the degree of dissociation as a function of pH in the polycation and polyanions have been determined using conductometric and potentiometric titrations. The formation of the complexes at different pH values has been followed by turbidity measurements. It is found that stoichiometric complexes of the polycation with CMC, (GalUA)n, and AlgA are formed at a mixing ratio of 0.5, indicating that the conformation may correspond to chains of equal lengths. In the case of the complex of GlChi with DS, the stoichiometric composition corresponds to a mixing ratio of 0.62. Thin transparent films of the complexes have been obtained by dehydration under reduced pressure on a layer of mercury. The dielectric constant ε′ and loss ε″ of thin films of these complexes have been measured in the range of frequencies of 1-100 kHz at different temperatures above and below room temperature. The GlChi-DS complex shows very little change in the values of ε′ and ε″ with frequency or temperature. On the other hand, films of GlChi-CMC and GlChi-(GalUA)n complexes show a significant increase in ε′ and ε″ as the temperature is increased above room temperature. The increase is more prominent at low frequencies. This behavior is attributed to the Maxwell-Wagner interfacial polarization. In the case of GlChi-AlgA film, the values of ε′ and ε″ increase enormously as the temperature increases. This behavior is similar to the increase in ε′ and ε″ observed by Michels et al. [(1965) J. Phys. Chem. 69, 1456-1465] as the salt concentration increases in another polyelectrolyte complex studied by them. The electric double-layer mechanism proposed by Schwarz [(1962) J. Phys. Chem. 66, 2636-2642] to account for the dielectric properties of biocolloids is shown to account quantitatively for the observations on the GlChi-AlgA film.
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  • 86
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    Chemie in unserer Zeit 16 (1982) 
    ISSN: 0009-2851
    Keywords: Chemistry ; Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    Chemie in unserer Zeit 16 (1982), S. 35-45 
    ISSN: 0009-2851
    Keywords: Chemistry ; Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    Chemie in unserer Zeit 16 (1982), S. 69-70 
    ISSN: 0009-2851
    Keywords: Chemistry ; Chemistry
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    Chemie in unserer Zeit 16 (1982), S. 94-100 
    ISSN: 0009-2851
    Keywords: Chemistry ; Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 90
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    Chemie in unserer Zeit 16 (1982), S. A32 
    ISSN: 0009-2851
    Keywords: Chemistry ; Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
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  • 91
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    Chemie in unserer Zeit 16 (1982), S. 116-123 
    ISSN: 0009-2851
    Keywords: Chemistry ; Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 92
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    Chemie in unserer Zeit 16 (1982), S. A46 
    ISSN: 0009-2851
    Keywords: Chemistry ; Chemistry
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  • 93
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    Chemie in unserer Zeit 16 (1982), S. 149-159 
    ISSN: 0009-2851
    Keywords: Chemistry ; Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 94
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    Biopolymers 21 (1982), S. 117-129 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A melting experiment was performed on the whole set of populations of the replicative form of φX174 DNA, which can be obtained treating this DNA with rat liver nicking-closing enzyme in the presence of ethidium bromide. Gel electrophoresis performed by loading the DNA samples at neutral and alkaline pH allows separation of these populations in discrete sets of bands, which can then be compared. The outcome of the experiments indicates that in the range of electrophoretic mobilities which can be explored, no band is formed exclusively by circular complementary strands which can be separated by alkaline denaturation. These results are compared with what would be expected if double-stranded closed circular DNA had structures other than the canonical double helix. Under nonrestrictive hypotheses, the experiments reported allow one to obtain a minimum estimate of the absolute value of the linking number of a closed circular double-stranded DNA: for native φX174 RF DNA, the linking number appears to be greater than 12 (in absolute value). Some data on the electrophoretic mobility of denatured closed circular duplexes are reported, which still wait for a physicochemical interpretation.
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  • 95
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    Biopolymers 21 (1982), S. 169-179 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Synthetic cyclic octapeptides of general structure cyclo[Glu(γOBzl)-Sar-Gly-(N-R)Gly]2 (R = n-hexyl and cyclohexyl) transport calcium ions selectively across organic phases and phospholipid membranes. We have now used proton nmr spectroscopy (360 MHz) to study the solution conformation(s) of their calcium complexes. When Ca(ClO4)2 was added to solutions of these peptides in CDCl3, nmr spectra of the resulting calcium complexes were characteristic of a single C2-symmetric conformer. From a Karplus-Bystrov analysis of vicinal coupling constants in both the peptide backbone and Glu side chain (treated as an ABCC′MX spin system), in conjuction with model-building studies, a structure was proposed in which the calcium ion is bound in an octahedral-type complex by the four (coplanar) carbonyl groups of the (all-trans) Glu-Sar and Gly-(N-R)Gly peptide bonds. Occurrence of preferred rotamers about Glu side chain Cα-Cβ bonds indicated that restricted rotation in peptide side chains arises upon calcium binding.
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  • 96
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    Biopolymers 21 (1982), S. 25-42 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: (L-Cys)n + N-base systems and (L-Cys)n + (L-Lys)n systems were studied by ir spectroscopy. It is shown that in the water-free systems, SH⃛N ⇌ S-⃛H+N hydrogen bonds are formed. With the (L-Cys)n + N-base systems, both proton-limiting structures in the SH⃛N ⇌ S-⃛H+N bonds have equal weight when the pKa of the protonated N-base is 2 pKa units larger than that of (L-Cys)n. The same is true with the water-free (L-Cys)n + (L-Lys)n system. Thus, with regard to the type of proton potentials present, these hydrogen bonds are proton-transfer hydrogen bonds showing very large proton polarizabilities. This is confirmed by the occurrence of continua in the ir spectra. Small amounts of water open these hydrogen bonds and increase the transfer of the proton to (L-Lys)n. In the (L-Lys)n + N-base systems, with increasing proton transfer the backbone of (L-Cys)n changes from antiparallel β-structure to coil. In (L-Cys)n + (L-Lys)n, the conformation is determined by the (L-Lys)n conformation and changes depending on the chain length of (L-Lys)n. Finally, the reactivity increase in the active center of fatty acid synthetase, which should be caused by the shift of a proton, is discussed on the basis of the great proton polarizability of the cysteine-lysine hydrogen bonds.
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  • 97
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    Biopolymers 21 (1982), S. 101-116 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We report electric-dichroism and electron-microscopic studies of chromatin fibers fixed by protein-protein crosslinking at salt concentrations ranging from 10 to 100 mM. The results confirm a progressive disorganization of the fiber as the salt concentration is lowered. The positive dichroism and large polarizability anisotropy characteristic of the 300-Å diameter fiber found in 100 mM salt are replaced by negative dichroism and smaller effective polarizability anisotropy or dipole moment for samples fixed at lower salt concentration. We interpret the results in terms of segmental, field-induced orientation of the disorganized structure which is present in low salt concentrations. We also observed a field-induced absorbance decrease in chromatin fibers fixed at salt concentration at and below 100 mM. All three optical effects, namely overall orientation of the high-salt fixed fiber, segmental orientation of the low-salt fixed fiber, and field-induced absorbance decrease, occur on roughly the same time scale, 20-100 μs for 50 nucleosome polynucleosomes. The polarizability anisotropy of fibers fixed in 100 mM salt was found to be proportional to the length of the fragment and to the reciprocal square root of the conductivity of the solution used for electric-dichroism measurements. Addition of Mg2+ to the measurement buffer affected the dichroism amplitude of samples fixed below 100 mM salt but not those fixed at 100 mM salt. The results reinforce the need for caution in interpreting electric-dichroism measurements on chromatin fibers because of possible field-induced distortion effects.
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  • 98
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    Biopolymers 21 (1982), S. 219-232 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: DNA with Mn2+ as the only counterion has been prepared, and the extent of the Mn2+ binding was determined under a variety of conditions through measurements of the proton relaxation enhancement of water. The total extent of Mn2+ binding per DNA phosphate is found to be 0.43 ± 0.04, independent of the metal ion concentration in the experimental range of 2.8 × 10-5 to 2.1 × 10-3M. The predictions of Manning's condensation theory and those obtained from solution of the generalized Poisson-Boltzmann equation regarding the extent of divalent ion binding to polyelectrolytes, in the presence and absence of monovalent counterions, are compared with one another and with the experimental results. Good agreement between the two theoretical approaches is found, with less than 14% variance in the predicted extent of binding over a large range of mono- and divalent ion concentrations. While the predictions of both theoretical approaches generally agree with the experimental results, some discrepancies are noted and their possible origins discussed.
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  • 99
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    Biopolymers 21 (1982), S. 1275-1300 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The basic formulas for the incorporation into the diffusion-collision model of the stabilities of intermediate states on the folding pathway are derived and discussed. A hypothetical two-step folding pathway is calculated in detail. A model for the production of incorrectly folded intermediates is suggested and some numerical estimates made. Implications and future directions in the evolution of the model are discussed. Three appendices deal with some mathematical aspects of the model.
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  • 100
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Quasielastic light scattering and electrophoretic light scattering experiments were performed on chicken erythrocyte polynucleosome solutions at various temperatures and ionic strengths. The apparent diffusion coefficient, Dapp, was found to depend on the scattering vector K. In general, Dapp can be described as a damped oscillatory function of K in the ionic strength range of 10 to 60 mM and over the temperature range of 10 to 40°C. Electrophoretic light scattering studies on total digest chromatin samples indicate the apparent charge on the polynucleosomes increases as the ionic strength is lowered from 10 to 1 mM. These data are interpreted in terms of fluctuations in the surface charge distribution of the polyion and subsequent inducement of an asymmetric distribution of small ions about the polyion. These fluctuation components lead to the formation of “clusters” of polyions.
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