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  • Polymer and Materials Science  (4,275)
  • 04. Solid Earth::04.04. Geology::04.04.99. General or miscellaneous
  • 04. Solid Earth::04.06. Seismology::04.06.08. Volcano seismology
  • Wiley-Blackwell  (4,275)
  • American Geophysical Union  (9)
  • Springer  (3)
  • SEISMOLOGICAL SOC AMER  (2)
  • Agu  (1)
  • COPERNICUS GESELLSCHAFT MBH, BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
  • Springer Berlin Heidelberg
  • 2010-2014  (15)
  • 1995-1999
  • 1975-1979  (3,316)
  • 1950-1954  (959)
  • 2010  (15)
  • 1979  (3,316)
  • 1954  (516)
  • 1953  (443)
Collection
Keywords
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  • 2010-2014  (15)
  • 1995-1999
  • 1975-1979  (3,316)
  • 1950-1954  (959)
Year
  • 1
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    Towards an automatic monitoring system of infrasonic events at Mt. Etna: strategies for source location and modelling (2010)
    Springer
    Details
    Publication Date: 2020-11-16
    Description: Active volcanoes characterized by open conduit conditions generate sonic and infrasonic signals, whose investigation provides useful information for both monitoring purposes and studying the dynamics of explosive processes. In this work, we discuss the automatic procedures implemented for a real-time application to the data acquired by a permanent network of five infrasound stations running at Mt. Etna volcano. The infrasound signals at Mt. Etna consist in amplitude transients, called infrasound events. The adopted procedure uses a multi-algorithm approach for event detection, counting, characterization and location. It is designed for an efficient and accurate processing of infrasound records provided by single-site and array stations. Moreover, the source mechanism of these events can be investigated off-line or in near real-time by using three different models: i) Strombolian bubble; ii) resonating conduit and iii) Helmholtz resonator. The infrasound waveforms allow us to choose the most suitable model, to get quantitative information about the source and to follow the time evolution of the source parameters.
    Description: Published
    Description: 1215–1231
    Description: 6V. Pericolosità vulcanica e contributi alla stima del rischio
    Description: JCR Journal
    Description: open
    Keywords: infrasound ; monitoring system ; Mt. Etna ; 04. Solid Earth::04.06. Seismology::04.06.08. Volcano seismology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
    Type: article
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  • 2
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    Seismological Monitoring of Mount Vesuvius (Italy): More than a Century of Observations (2010)
    SEISMOLOGICAL SOC AMER
    Details
    Publication Date: 2020-11-30
    Description: Mt. Vesuvius (southern Italy) is one of the volcanoes that poses the greatest risk in the world because of its highly explosive eruptive style and its proximity to densely populated areas. The urbanization around Mt. Vesuvius began in ancient times, and the impact of eruptions on human activities has been severe. This is testified to by the ruins of Pompeii, which are covered by the products of the plinian eruption that took place in A.D. 79 (Sigurdsson et al. 1985), and more recently by the published reports of the eruptions that occurred from 1631 to 1944. For these reasons, Mt. Vesuvius was also one of the first volcanoes to be equipped with monitoring instruments. Pioneering instrumental observations began just before the second half of the 1800s, when the Vesuvius Observatory was founded in 1841 (Imbò 1949). At that time, Vesuvius was very active (Ricciardi 2009), and its effusive and explosive eruptions often caused damage to the surrounding areas. At the same time, it was a famous tourist attraction that drew travelers from all over the world (Gasparini and Musella 1991). Since the middle of the 1800s, at least 12 eruptions have occurred that have been superimposed on persistent intra-crater activity that has been characterized by Strombolian explosions and by the formation of small lava lakes. The last eruption occurred on 18 March 1944 and marked a change in the status of Mt. Vesuvius, as it entered a closed-conduit phase that persists today. Following this last eruption, a change occurred in the 1960s, as documented by an increase in the occurrence rate of earthquakes. Since 1972, the monitoring of Mt. Vesuvius has improved over time and become more systematic, so that there is a remarkable dataset relating to the current phase of quiescence. Over more than a century and a half of observations, many monitoring instruments have been used for Mt. Vesuvius, including early seismometers, several of which are now kept in the Museum of Volcanology of the Vesuvius Observatory. The present monitoring system is based on seismological, geodetical geodetical, and geochemical observations performed using an instrumental network that was designed on the basis of the current state of the volcano while also taking into account the likely scenario of future unrest.
    Description: Published
    Description: 625-634
    Description: 1.4. TTC - Sorveglianza sismologica delle aree vulcaniche attive
    Description: JCR Journal
    Description: reserved
    Keywords: Seismological Monitoring ; Mount Vesuvius ; 04. Solid Earth::04.06. Seismology::04.06.05. Historical seismology ; 04. Solid Earth::04.06. Seismology::04.06.08. Volcano seismology ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 3
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    Evolution of an active lava flow field using a multitemporal LIDAR acquisition (2010)
    American Geophysical Union
    Details
    Publication Date: 2012-02-03
    Description: Application of light detection and ranging (LIDAR) technology in volcanology has 7 developed rapidly over the past few years, being extremely useful for the generation 8 of high‐spatial‐resolution digital elevation models and for mapping eruption products. 9 However, LIDAR can also be used to yield detailed information about the dynamics of 10 lava movement, emplacement processes occuring across an active lava flow field, and the 11 volumes involved. Here we present the results of a multitemporal airborne LIDAR survey 12 flown to acquire data for an active flow field separated by time intervals ranging from 13 15 min to 25 h. Overflights were carried out over 2 d during the 2006 eruption of Mt. Etna, 14 Italy, coincident with lava emission from three ephemeral vent zones to feed lava flow in 15 six channels. In total 53 LIDAR images were collected, allowing us to track the volumetric 16 evolution of the entire flow field with temporal resolutions as low as ∼15 min and at a 17 spatial resolution of 〈1 m. This, together with accurate correction for systematic errors, 18 finely tuned DEM‐to‐DEM coregistration and an accurate residual error assessment, 19 permitted the quantification of the volumetric changes occuring across the flow field. We 20 record a characteristic flow emplacement mode, whereby flow front advance and channel 21 construction is fed by a series of volume pulses from the master vent. Volume pulses 22 have a characteristic morphology represented by a wave that moves down the channel 23 modifying existing channel‐levee constructs across the proximal‐medial zone and building 24 new ones in the distal zone. Our high‐resolution multitemporal LIDAR‐derived DEMs 25 allow calculation of the time‐averaged discharge rates associated with such a pulsed flow 26 emplacement regime, with errors under 1% for daily averaged values.
    Description: This work was partially funded by the Italian 930 Dipartimento della Protezione Civile in the frame of the 2007–2009 Agree- 931 ment with Istituto Nazionale di Geofisica e Vulcanologia–INGV. A.F. 932 benefited from the MIUR‐FIRB project “Piattaforma di ricerca multi‐disci- 933 plinare su terremoti e vulcani (AIRPLANE)” n. RBPR05B2ZJ. S.T. 934 benefited from the project FIRB “Sviluppo di nuove tecnologie per la prote- 935 zione e difesa del territorio dai rischi naturali (FUMO)” funded by the Italian 936 Ministero dell’Istruzione, dell’Università e della Ricerca.
    Description: Published
    Description: B11203
    Description: 1.5. TTC - Sorveglianza dell'attività eruttiva dei vulcani
    Description: 1.10. TTC - Telerilevamento
    Description: 3.6. Fisica del vulcanismo
    Description: JCR Journal
    Description: reserved
    Keywords: LIDAR ; lava flow ; Etna ; 04. Solid Earth::04.04. Geology::04.04.99. General or miscellaneous ; 04. Solid Earth::04.08. Volcanology::04.08.99. General or miscellaneous ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring ; 05. General::05.02. Data dissemination::05.02.03. Volcanic eruptions
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 4
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    Predicting the impact of lava flows at Mount Etna, Italy (2010)
    American Geophysical Union
    Details
    Publication Date: 2017-04-04
    Description: Forecasting the time, nature, and impact of future eruptions is difficult at volcanoes such as Mount Etna, in Italy, where eruptions occur from the summit and on the flanks, affecting areas distant from each other. Nonetheless, the identification and quantification of areas at risk from new eruptions are fundamental for mitigating potential human casualties and material damage. Here, we present new results from the application of a methodology to define flexible high‐resolution lava invasion susceptibility maps based on a reliable computational model for simulating lava flows at Etna and on a validation procedure for assessing the correctness of susceptibility mapping in the study area. Furthermore, specific scenarios can be extracted at any time from the simulation database, for land use and civil defense planning in the long term, to quantify, in real time, the impact of an imminent eruption, and to assess the efficiency of protective measures.
    Description: This work was sponsored by the Italian Ministry for Education, University and Research, FIRB project RBAU01RMZ4 “Lava flow simulations by Cellular Automata,” and by the National Civil Defense Department and INGV (National Institute of Geophysics and Volcanology), project V3_6/09 “V3_6 – Etna.”
    Description: Published
    Description: B04203
    Description: 1.5. TTC - Sorveglianza dell'attività eruttiva dei vulcani
    Description: 3.5. Geologia e storia dei vulcani ed evoluzione dei magmi
    Description: 3.6. Fisica del vulcanismo
    Description: 4.3. TTC - Scenari di pericolosità vulcanica
    Description: 4.4. Scenari e mitigazione del rischio ambientale
    Description: JCR Journal
    Description: reserved
    Keywords: lava flows ; volcanic hazard ; 04. Solid Earth::04.04. Geology::04.04.99. General or miscellaneous ; 04. Solid Earth::04.04. Geology::04.04.03. Geomorphology ; 04. Solid Earth::04.08. Volcanology::04.08.99. General or miscellaneous ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk ; 05. General::05.01. Computational geophysics::05.01.02. Cellular automata, fuzzy logic, genetic alghoritms, neural networks ; 05. General::05.01. Computational geophysics::05.01.05. Algorithms and implementation ; 05. General::05.02. Data dissemination::05.02.99. General or miscellaneous ; 05. General::05.02. Data dissemination::05.02.03. Volcanic eruptions ; 05. General::05.08. Risk::05.08.99. General or miscellaneous ; 05. General::05.09. Miscellaneous::05.09.99. General or miscellaneous
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 5
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    Patterns in the recent 2007–2008 activity of Mount Etna volcano investigated by integrated geophysical and geochemical observations (2010)
    American Geophysical Union
    Details
    Publication Date: 2012-02-03
    Description: An edited version of this paper was published by AGU. Copyright (2010) American Geophysical Union
    Description: Seismic, deformation, and volcanic gas observations offer independent and complementary information on the activity state and dynamics of quiescent and eruptive volcanoes and thus all contribute to volcanic risk assessment. In spite of their wide use, there have been only a few efforts to systematically integrate and compare the results of these different monitoring techniques. Here we combine seismic (volcanic tremor and long‐period seismicity), deformation (GPS), and geochemical (volcanic gas plume CO2/SO2 ratios) measurements in an attempt to interpret trends in the recent (2007–2008) activity of Etna volcano. We show that each eruptive episode occurring at the Southeast Crater (SEC) was preceded by a cyclic phase of increase‐decrease of plume CO2/SO2 ratios and by inflation of the volcano’s summit captured by the GPS network. These observations are interpreted as reflecting the persistent supply of CO2‐rich gas bubbles (and eventually more primitive magmas) to a shallow (depth of 1–2.8 km asl) magma storage zone below the volcano’s central craters (CCs). Overpressuring of the resident magma stored in the upper CCs’ conduit triggers further magma ascent and finally eruption at SEC, a process which we capture as an abrupt increase in tremor amplitude, an upward (〉2800 m asl) and eastward migration of the source location of seismic tremor, and a rapid contraction of the volcano’s summit. Resumption of volcanic activity at SEC was also systematically anticipated by declining plume CO2/SO2 ratios, consistent with magma degassing being diverted from the central conduit area (toward SEC).
    Description: Published
    Description: Q09008
    Description: 1.2. TTC - Sorveglianza geochimica delle aree vulcaniche attive
    Description: 1.3. TTC - Sorveglianza geodetica delle aree vulcaniche attive
    Description: 1.4. TTC - Sorveglianza sismologica delle aree vulcaniche attive
    Description: JCR Journal
    Description: reserved
    Keywords: volcano monitoring ; Mt. Etna volcano ; geochemistry and geophysics ; volcanic tremor ; 04. Solid Earth::04.06. Seismology::04.06.08. Volcano seismology ; 04. Solid Earth::04.08. Volcanology::04.08.01. Gases ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring ; 04. Solid Earth::04.08. Volcanology::04.08.07. Instruments and techniques
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 6
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    Response of Mount Etna to dynamic stresses from distant earthquakes (2010)
    American Geophysical Union
    Details
    Publication Date: 2012-02-03
    Description: Influences of distant earthquakes on volcanic systems by dynamic stress transfer are well documented. We analyzed seismic signals and volcanic activity at Mount Etna during two periods, January 2006 and May 2008, that clearly showed variations coincident with distant earthquakes. In the first period, characterized by mild volcano activity, the effect of the dynamic stress transfer, caused by an earthquake in Greece (M = 6.8), was twofold: (1) banded tremor activity changed its features and almost disappeared; (2) a swarm of volcano‐tectonic (VT) earthquakes took place. The changes of the banded tremor were likely due to variations in rock permeability, caused by fluid flows driven by dynamic strain. The VT earthquake swarm probably developed as a secondary process, promoted by the dynamically triggered activation of magmatic fluids. The second period, May 2008, showed an intense explosive activity. During this interval, the dynamic stress transfer, associated with the arrival of the seismic waves of the Sichuan earthquake (M = 7.9), affected the character of the seismo‐volcanic signals and on the following day triggered an eruption. In particular, we observed changes in volcanic tremor and increases of both occurrence rate and energy of long period events. In this case, we suggest that dynamic stress transfer caused nucleation of new bubbles in volatile‐rich magma bodies with consequent buildup of pressure, highlighted by the increase of long period activity, followed by the occurrence of an eruption. We conclude that stresses from distant earthquakes are capable of modifying the state of the volcano.
    Description: Published
    Description: B12304
    Description: 1.4. TTC - Sorveglianza sismologica delle aree vulcaniche attive
    Description: JCR Journal
    Description: reserved
    Keywords: Mt. Etna volcano ; dynamic stress transfer ; triggered eruption ; triggered seismicity ; volcano seismology ; 04. Solid Earth::04.06. Seismology::04.06.08. Volcano seismology ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 7
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    Anatomy of an unstable volcano from InSAR: Multiple processes affecting flank instability at Mt. Etna, 1994–2008 (2010)
    American Geophysical Union
    Details
    Publication Date: 2012-02-03
    Description: An edited version of this paper was published by AGU. Copyright (2010) American Geophysical Union.
    Description: Volcano deformation may occur under different conditions. To understand how a volcano deforms, as well as relations with magmatic activity, we studied Mt. Etna in detail using interferometric synthetic aperture radar (InSAR) data from 1994 to 2008. From 1994 to 2000, the volcano inflated with a linear behavior. The inflation was accompanied by eastward and westward slip on the eastern and western flanks, respectively. The portions proximal to the summit showed higher inflation rates, whereas the distal portions showed several sectors bounded by faults, in some cases behaving as rigid blocks. From 2000 to 2003, the deformation became nonlinear, especially on the proximal eastern and western flanks, showing marked eastward and westward displacements, respectively. This behavior resulted from the deformation induced by the emplacement of feeder dikes during the 2001 and 2002–2003 eruptions. From 2003 to 2008, the deformation approached linearity again, even though the overall pattern continued to be influenced by the emplacement of the dikes from 2001 to 2002. The eastward velocity on the eastern flank showed a marked asymmetry between the faster sectors to the north and those (largely inactive) to the south. In addition, from 1994 to 2008 part of the volcano base (south, west, and north lower slopes) experienced a consistent trend of uplift on the order of ∼0.5 cm/yr. This study reveals that the flanks of Etna have undergone a complex instability resulting from three main processes. In the long term (103–104 years), the load of the volcano is responsible for the development of a peripheral bulge. In the intermediate term (≤101 years, observed from 1994 to 2000), inflation due to the accumulation of magma induces a moderate and linear uplift and outward slip of the flanks. In the short term (≤1 year, observed from 2001 to 2002), the emplacement of feeder dikes along the NE and south rifts results in a nonlinear, focused, and asymmetric deformation on the eastern and western flanks. Deformation due to flank instability is widespread at Mt. Etna, regardless of volcanic activity, and remains by far the predominant type of deformation on the volcano.
    Description: ESA provided the SAR data (Cat‐1 no. 4532 and GEO Supersite initiative). The DEM was obtained from the SRTM archive, while the ERS‐1/2 orbits are courtesy of the TU‐Delft, The Netherlands. This work was partially funded by INGV and the Italian DPC (DPCINGV project V4 “Flank”), the Italian DPC (under special agreement with IREA‐CNR), and the Italian Space Agency under contract “sistema rischio vulcanico (SRV).” The authors thank Francesco Casu, Paolo Berardino, and Riccardo Lanari for their support and Geoff Wadge and Michael Poland for their helpful and constructive review of the manuscript.
    Description: Published
    Description: B10405
    Description: 1.3. TTC - Sorveglianza geodetica delle aree vulcaniche attive
    Description: 1.5. TTC - Sorveglianza dell'attività eruttiva dei vulcani
    Description: 1.10. TTC - Telerilevamento
    Description: 3.2. Tettonica attiva
    Description: 3.5. Geologia e storia dei vulcani ed evoluzione dei magmi
    Description: 3.6. Fisica del vulcanismo
    Description: 4.3. TTC - Scenari di pericolosità vulcanica
    Description: JCR Journal
    Description: reserved
    Keywords: Flank instability ; InSAR ; volcanoes ; Etna ; 04. Solid Earth::04.01. Earth Interior::04.01.99. General or miscellaneous ; 04. Solid Earth::04.01. Earth Interior::04.01.02. Geological and geophysical evidences of deep processes ; 04. Solid Earth::04.02. Exploration geophysics::04.02.99. General or miscellaneous ; 04. Solid Earth::04.03. Geodesy::04.03.99. General or miscellaneous ; 04. Solid Earth::04.03. Geodesy::04.03.06. Measurements and monitoring ; 04. Solid Earth::04.03. Geodesy::04.03.07. Satellite geodesy ; 04. Solid Earth::04.04. Geology::04.04.99. General or miscellaneous ; 04. Solid Earth::04.04. Geology::04.04.06. Rheology, friction, and structure of fault zones ; 04. Solid Earth::04.04. Geology::04.04.09. Structural geology ; 04. Solid Earth::04.07. Tectonophysics::04.07.99. General or miscellaneous ; 04. Solid Earth::04.07. Tectonophysics::04.07.02. Geodynamics ; 04. Solid Earth::04.07. Tectonophysics::04.07.05. Stress ; 04. Solid Earth::04.07. Tectonophysics::04.07.07. Tectonics ; 04. Solid Earth::04.08. Volcanology::04.08.99. General or miscellaneous ; 04. Solid Earth::04.08. Volcanology::04.08.03. Magmas ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk ; 05. General::05.02. Data dissemination::05.02.03. Volcanic eruptions ; 05. General::05.04. Instrumentation and techniques of general interest::05.04.99. General or miscellaneous ; 05. General::05.08. Risk::05.08.99. General or miscellaneous
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 8
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    Predicting the impact of lava flows at Mount Etna (Italy) (2010)
    American Geophysical Union
    Details
    Publication Date: 2017-04-04
    Description: Forecasting the time, nature and impact of future eruptions is difficult at volcanoes such as Mount Etna, in Italy, where eruptions occur from the summit and on the flanks, affecting areas distant from each other. Nonetheless, the identification and quantification of areas at risk from new eruptions is fundamental for mitigating potential human casualties and material damage. Here, we present new results from the application of a methodology to define flexible high-resolution lava invasion susceptibility maps based on a reliable computational model for simulating lava flows at Etna and on a validation procedure for assessing the correctness of susceptibility mapping in the study area. Furthermore, specific scenarios can be extracted at any time from the simulation database, for land-use and civil defence planning in the long-term, to quantify, in real-time, the impact of an imminent eruption, and to assess the efficiency of protective measures.
    Description: This work was sponsored by the Italian Ministry for Education, University and Research, FIRB project n° RBAU01RMZ4 “Lava flow simulations by Cellular Automata”, and by the National Civil Defence Department and INGV (National Institute of Geophysics and Volcanology), project V3_6/09 “V3_6 – Etna”.
    Description: In press
    Description: 1.5. TTC - Sorveglianza dell'attività eruttiva dei vulcani
    Description: 3.5. Geologia e storia dei vulcani ed evoluzione dei magmi
    Description: 3.6. Fisica del vulcanismo
    Description: 4.3. TTC - Scenari di pericolosità vulcanica
    Description: 4.4. Scenari e mitigazione del rischio ambientale
    Description: JCR Journal
    Description: open
    Keywords: lava flows ; Etna ; hazard evaluation ; 04. Solid Earth::04.04. Geology::04.04.99. General or miscellaneous ; 04. Solid Earth::04.08. Volcanology::04.08.99. General or miscellaneous ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk ; 05. General::05.01. Computational geophysics::05.01.99. General or miscellaneous ; 05. General::05.01. Computational geophysics::05.01.02. Cellular automata, fuzzy logic, genetic alghoritms, neural networks ; 05. General::05.02. Data dissemination::05.02.99. General or miscellaneous ; 05. General::05.02. Data dissemination::05.02.03. Volcanic eruptions ; 05. General::05.08. Risk::05.08.99. General or miscellaneous ; 05. General::05.09. Miscellaneous::05.09.99. General or miscellaneous
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 9
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    Polarization Analysis in the Discrete Wavelet Domain: An Application to Volcano Seismology (2010)
    SEISMOLOGICAL SOC AMER
    Details
    Publication Date: 2017-04-04
    Description: We propose a method for analyzing the polarization of three-component digital recordings using the discrete wavelet transform (DWT). This method allows for the automatic detection and separation of seismic phases that have a coherent linear or elliptical polarization. It can be correctly used in the analysis of seismic signals relating to volcanic activity because they arise from a complex wave field that consists of near-field and far-field components that have frequency-dependent polarization. First, the analytic extension of the signal is decomposed using DWT, then each single component is used to determine a local complex polarization vector in the timescale domain. This analysis reveals the presence of seismic phases with coherent polarization over a range of DWT scales and finite temporal intervals. Using the orthogonality property of the DWT, it is possible to isolate a single coherent component, reconstructing it in the time domain and computing the full polarization tensor. This procedure can be fully automated, introducing a quantitative definition of wavelet polarization coherence on the DWT dyadic grid. A recursive algorithm (called POLWAV) starts from the wavelet coefficient with the highest modulus, and then selects all of the neighbors that show coherence with it above a given threshold. We show how the POLWAValgorithm can be used for separating wave-field components and for detecting coherent seismic phases on continuous recordings. Example applications to actual seismic recordings at Stromboli Volcano (Tyrrhenian Sea) are presented.
    Description: Published
    Description: 670–683
    Description: 1.4. TTC - Sorveglianza sismologica delle aree vulcaniche attive
    Description: JCR Journal
    Description: reserved
    Keywords: Polarization Analysis ; Discrete Wavelet Domain ; 04. Solid Earth::04.06. Seismology::04.06.08. Volcano seismology ; 04. Solid Earth::04.06. Seismology::04.06.09. Waves and wave analysis
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 10
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    Towards an Automatic Monitoring System of Infrasonic Events at Mt. Etna: Strategies for Source Location and Modeling (2010)
    Springer
    Details
    Publication Date: 2017-04-04
    Description: Active volcanoes characterized by open conduit conditions generate sonic and infrasonic signals, whose investigation provides useful information for both monitoring purposes and studying the dynamics of explosive processes. In this work, we discuss the automatic procedures implemented for a real-time application to the data acquired by a permanent network of five infrasound stations running at Mt. Etna volcano. The infrasound signals at Mt. Etna consist in amplitude transients, called infrasound events. The adopted procedure uses a multi-algorithm approach for event detection, counting, characterization and location. It is designed for an efficient and accurate processing of infrasound records provided by single-site and array stations. Moreover, the source mechanism of these events can be investigated off-line or in near real-time by using three different models: (1) Strombolian bubble; (2) resonating conduit and (3) Helmholtz resonator. The infrasound waveforms allow us to choose the most suitable model, to get quantitative information about the source and to follow the time evolution of the source parameters.
    Description: Published
    Description: 1215–1231
    Description: 1.4. TTC - Sorveglianza sismologica delle aree vulcaniche attive
    Description: JCR Journal
    Description: reserved
    Keywords: Infrasound ; monitoring system ; Mt. Etna volcano ; 04. Solid Earth::04.06. Seismology::04.06.08. Volcano seismology ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring ; 04. Solid Earth::04.08. Volcanology::04.08.07. Instruments and techniques
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 11
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    New insights into banded tremor from the 2008–2009 Mount Etna eruption (2010)
    American Geophysical Union
    Details
    Publication Date: 2017-04-04
    Description: We investigated the banded tremor activity occurring at Mt. Etna volcano between August-October 2008 during the 2008-2009 eruption. The banded tremor occurred in episodes lasting 25-30 minutes with intervals in between the episodes of about 25 minutes. Seismic signal analyses showed that the banded tremor was characterised by spectral contents, wavefields and source locations that differed from the “ordinary” volcanic tremor. The infrasound recordings exhibited an intermittent infrasonic tremor alternating with the banded tremor episodes. Finally, nonlinear analyses suggested that banded tremor system can be considered chaotic, implying: i) sensitive dependence on initial conditions, suggesting not only that a banded tremor system requires particular conditions to generate, but also that slight variations of these conditions are able to greatly change the features of the banded tremor or even to stop it; ii) long-term unpredictability, that is, the impossibility to forecast the long-term evolution of the banded tremor. On the basis of all these results and analogies with geyser models, we suggest a model of banded tremor that invokes alternating recharge-discharge phases. Banded tremor is due to “perturbations” in shallow aquifers, such as fluid movement and bubble growth or collapse due to hydrothermal boiling, triggered by the heat and hot fluid transfer from the underlying magma bodies. This heat-fluid transfer also causes an increasing pressure in the aquifer leading to fluid-discharge. During this process the seismic radiation decreases and, if the fluid-discharge is well coupled with the atmosphere, acoustic signals are generated.
    Description: Published
    Description: 1.4. TTC - Sorveglianza sismologica delle aree vulcaniche attive
    Description: JCR Journal
    Description: reserved
    Keywords: Banded tremor ; Mt. Etna volcano ; volcano seismology ; 04. Solid Earth::04.06. Seismology::04.06.08. Volcano seismology ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 12
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    Seismic attenuation imaging of Campi Flegrei: Evidence of gas reservoirs, hydrothermal basins, and feeding systems (2010)
    Agu
    Details
    Publication Date: 2019-03-05
    Description: An edited version of this paper was published by AGU. Copyright (2010) American Geophysical Union.
    Description: Passive high‐resolution attenuation tomography is used here to image the geological structure in the first upper 4 km of the shallow crust beneath the Campi Flegrei caldera, southern Italy. The inverse Q was estimated for each source‐receiver path using the coda‐normalization method (S‐waves) and the slope decay method (P‐waves and S‐waves). Inversion was performed using a multi‐resolution method, which ensures a minimum cell‐size resolution of 500 m. The study of the resolution matrix as well as the synthetic tests guarantee an optimal reproduction of the input anomalies in the center of the caldera, between 0 and 3.5 km in depth. High attenuation vertical structures are connected at the surface with the main volcanological features (e.g., the Solfatara and Mofete fumarole fields), and depict vertical Q contrast imaging important geological structures, such as the La Starza fault. These high attenuation volumes extend between the surface and a depth of about 3 km, where a hard rock layer is imaged by the sharp contrast of the quality factors. The retrieved image of the Campi Flegrei has been jointly interpreted taking into account evidence from seismological, geological, volcanological and geochemical investigations. This analysis has allowed an unprecedented view of the feeding systems in this area, and in particular it recognizes the vertically extending, high attenuation structures that correspond to gas or fluid reservoirs beneath Pozzuoli‐Solfatara, Solfatara, Mofete‐Mt. Nuovo and Agnano. This high‐attenuation system is possibly connected with the magma sill revealed at about 7 km in depth by passive travel‐time tomography.
    Description: Published
    Description: B09312
    Description: 1.4. TTC - Sorveglianza sismologica delle aree vulcaniche attive
    Description: 3.1. Fisica dei terremoti
    Description: JCR Journal
    Description: reserved
    Keywords: Campi Flegrei ; gas ; 04. Solid Earth::04.06. Seismology::04.06.07. Tomography and anisotropy ; 04. Solid Earth::04.06. Seismology::04.06.08. Volcano seismology ; 04. Solid Earth::04.06. Seismology::04.06.09. Waves and wave analysis ; 05. General::05.01. Computational geophysics::05.01.03. Inverse methods
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 13
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    Time-space variation of volcano-seismic events at La Fossa (Vulcano, Aeolian Islands, Italy): new insights into seismic sources in a hydrothermal system (2010)
    Springer
    Details
    Publication Date: 2020-02-24
    Description: We investigated the relationship between volcano-seismic events, recorded at La Fossa crater of Vulcano (Aeolian Islands, Italy) during 2004-2006, and the dynamics of the hydrothermal system. During the period of study, three episodes of increasing numbers of volcano-seismic events took place at the same time as geothermal and geochemical anomalies were observed. These geothermal and geochemical anomalies have been interpreted as resulting from an increasing deep magmatic component of the hydrothermal fluids. Three classes of seismic events (long period, high frequency and monochromatic events), characterised by different spectral content and various similarity of the waveforms, have been recognised. These events, clustered mainly below La Fossa crater area at depths of 0.5–1.1 km b.s.l., were space-distributed according to the classes. Based on their features, we can infer that such events at Vulcano are related to two different source mechanisms: (1) fracturing processes of rocks and (2) resonance of cracks (or conduits) filled with hydrothermal fluid. In the light of these source mechanisms, the increase in the number of events, at the same time as geochemical and geothermal anomalies were observed, was interpreted as the result of an increasing magmatic component of the hydrothermal fluids, implying an increase of their flux. Indeed, such variation caused an increase of both the pore pressure within the rocks of the volcanic system and the amount of ascending fluids. Increased pore pressures gave rise to fracturing processes, while the increased fluid flux favoured resonance and vibration processes in cracks and conduits. Finally, a gradual temporal variation of the waveform of the hybrid events (one of the subclasses of long period events) was observed, likely caused by heating and drying of the hydrothermal system.
    Description: Published
    Description: 803-816
    Description: 1.4. TTC - Sorveglianza sismologica delle aree vulcaniche attive
    Description: JCR Journal
    Description: reserved
    Keywords: Volcano seismology ; Vulcano Island ; 04. Solid Earth::04.06. Seismology::04.06.08. Volcano seismology
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 14
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    Unknown
    Distribution of volcanic earthquake recurrence intervals (2010)
    American Geophysical Union
    Details
    Publication Date: 2017-04-04
    Description: We analyze the distribution of volcanic earthquake recurrence intervals in the Vesuvio, Campi Flegrei, and Hawaii regions and compare it with tectonic recurrence rates in California. We find that the distribution behavior is similar for volcanic and tectonic seismic events. In both cases, the recurrence interval distributions collapse onto the same master curve if time is rescaled by the average occurrence rate. This implies that both phenomena have the same temporal organization, and it is possible to adopt for volcanic areas that the same occurrence models used for tectonic regions.
    Description: Published
    Description: B10309
    Description: 1.4. TTC - Sorveglianza sismologica delle aree vulcaniche attive
    Description: JCR Journal
    Description: reserved
    Keywords: volcanic earthquake ; recurrence intervals ; 04. Solid Earth::04.06. Seismology::04.06.08. Volcano 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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  • 15
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    Detachment depth revealed by rollover deformation: An integrated approach at Mount Etna (2010)
    American Geophysical Union
    Details
    Publication Date: 2017-04-04
    Description: Flank instability is common at volcanoes, even though the subsurface structures, including the depth to a detachment fault, remain poorly constrained. Here, we use a multidisciplinary approach, applicable to most volcanoes, to evaluate the detachment depth of the unstable NE flank of Mt. Etna. InSAR observations of Mount Etna during 1995–2008 show a trapdoor subsidence of the upper NE flank, with a maximum deformation against the NE Rift. The trapdoor tilt was highest in magnitude in 2002–2004, contemporaneous with the maximum rates of eastward slip along the east flank. We explain this deformation as due to a general eastward displacement of the flank, activating a rotational detachment and forming a rollover anticline, the head of which is against the NE Rift. Established 2D rollover construction models, constrained by morphological and structural data, suggest that the east‐dipping detachment below the upper NE flank lies at around 4 km below the surface. This depth is consistent with seismicity that clusters above 2–3 km below sea level. Therefore, the episodically unstable NE flank lies above an east‐dipping rotational detachment confined by the NE Rift and Pernicana Fault. Our approach, which combines short‐term (InSAR) and long‐term (geological) observations, constrains the 3D geometry and kinematics of part of the unstable flank of Etna and may be applicable and effective to understand the deeper structure of volcanoes undergoing flank instability or unrest.
    Description: This work was partially funded by INGV and the DPC‐INGV project “Flank”, and partially by the ASI (SRV project).
    Description: Published
    Description: L16304
    Description: 1.3. TTC - Sorveglianza geodetica delle aree vulcaniche attive
    Description: 1.5. TTC - Sorveglianza dell'attività eruttiva dei vulcani
    Description: 1.10. TTC - Telerilevamento
    Description: 3.2. Tettonica attiva
    Description: 4.3. TTC - Scenari di pericolosità vulcanica
    Description: JCR Journal
    Description: reserved
    Keywords: flank instability ; fault ; InSAR ; Etna ; rollover ; 04. Solid Earth::04.01. Earth Interior::04.01.99. General or miscellaneous ; 04. Solid Earth::04.02. Exploration geophysics::04.02.99. General or miscellaneous ; 04. Solid Earth::04.03. Geodesy::04.03.99. General or miscellaneous ; 04. Solid Earth::04.03. Geodesy::04.03.06. Measurements and monitoring ; 04. Solid Earth::04.03. Geodesy::04.03.07. Satellite geodesy ; 04. Solid Earth::04.04. Geology::04.04.99. General or miscellaneous ; 04. Solid Earth::04.04. Geology::04.04.06. Rheology, friction, and structure of fault zones ; 04. Solid Earth::04.04. Geology::04.04.09. Structural geology ; 04. Solid Earth::04.04. Geology::04.04.11. Instruments and techniques ; 04. Solid Earth::04.06. Seismology::04.06.99. General or miscellaneous ; 04. Solid Earth::04.07. Tectonophysics::04.07.99. General or miscellaneous ; 04. Solid Earth::04.07. Tectonophysics::04.07.02. Geodynamics ; 04. Solid Earth::04.07. Tectonophysics::04.07.05. Stress ; 04. Solid Earth::04.07. Tectonophysics::04.07.07. Tectonics ; 04. Solid Earth::04.08. Volcanology::04.08.99. General or miscellaneous ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring ; 04. Solid Earth::04.08. Volcanology::04.08.07. Instruments and techniques ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk ; 05. General::05.08. Risk::05.08.99. General or miscellaneous
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 16
    Electronic Resource
    Electronic Resource
    Dielectric properties of hydrated collagen (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 35-45 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Dielectric measurements have been carried out on partially hydrated collagen in the frequency ranges 100 kHz-5 MHz, 100 MHz-1 GHz, and 8-23 GHz. In the low-frequency range, a dispersion was observed around 100 kHz which results from inhomogeneous conductivity of the samples. A dielectric relaxation was observed aroud 0.3 GHz using time-domain-spectroscopy techniques. This relaxation can be considered to originate from mobile side chains. Microwave measurements indicate that the water relaxation may extend into the 10-GHz region. An apparent discrepancy between the main water relaxation time and the average rotational correlation time of water as measured by nmr line widths was resolved by the assumption that a fraction of the water molecules is bound to the collagen with residence times on the order of 10-6 sec, whereas the remainder of the water is only weakly bound and exhibits rotational rates on the order of 10-10 sec.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1979.360180105
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  • 17
    Electronic Resource
    Electronic Resource
    DNA conformational kinetics (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 83-100 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A model for the time dependence of DNA conformational state probabilities is formulated in the form of first-order differential equations. This model is applied to investigate the renaturation and denaturation rates for T2 and T7 DNA as reported in the series of experiments by Record and Zimm. Qualitative agreement is found in denaturation and for series of renaturation experiments with the same initial condition. However, partial agreement with series of renaturation experiments having the same final condition is obtained only by including an initial bimolecular step with properly matched pairs of strands. Comparison of all experiments with the calculated rates yields 5 × 104 min-1 as the step rate for melting a single base pair.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1979.360180109
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  • 18
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    The influence of asymmetric carbon atoms of the side chains on the conformational properties of polypeptides: Comparison of diastereomeric homooligopeptides of L-isoleucine and D-alloisoleucineTaken in part from a dissertation submitted by U.W. in partial fulfillment of the requirements for the Ph.D. degree, Eidg. Technische Hochschule. (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 239-256 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The conventionally protected oligopeptides of the two homologous series Boc-(L-Ile)n-OMe and Boc-(D-aIle)n-OMe (n = 2-6) were synthesized in a standard stepwise fashion and their uv and CD spectra in 2,2,2-trifluoroethanol, and solid-state ir spectra were investigated. In addition, two oligomeric products derived from the NCAs of L-isoleucine and of D-allo-isoleucine and having a DP of 20 and 12, respectively, were studied in the solid state by x-ray and ir. No substantial differences between the properties of the diastereomeric oligomers in the solid state were noticed, a β-structure being very likely at least for the Boc-protected hexapeptides and the higher oligomers. In contrast, differences were observed between the spectroscopic properties of the diastereomeric oligopeptides, and especially of the hexapeptides, in trifluoroethanol solution. The different properties of the hexapeptides in solution were related to the existence, in the case of Boc-(L-Ile)6-OMe, of soluble molecular aggregates in which the peptide chains assume the β-conformation. These results provide an additional example of the influence of the configuration of asymmetric carbon atoms of the side chains on the conformational properties of peptide molecules in solution.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1979.360180202
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  • 19
    Electronic Resource
    Electronic Resource
    1H-nmr parameters of the common amino acid residues measured in aqueous solutions of the linear tetrapeptides H-Gly-Gly-X-L-Ala-OH (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 285-297 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The 1H-nmr chemical shifts and the spin-spin coupling constants of the common amino acid residues were measured in solutions of the linear tetrapeptides H-Gly-Gly-X-L-Ala-OH in D2O and H2O, the influence of X on the nmr parameters of the neighboring residues Gly 2 and Ala 4 was investigated. The titration parameters for the side chains of Asp, Glu, Lys, Tyr, and His were determined. The pKa values obtained in D2O, with the use of pH-meter readings with a combination glass electrode uncorrected for istope effects, were 0.06 pH units higher in the acidic range and 0.10 pH units higher in the basic range than the corresponding pKa values in H2O. This suggests that the present data are suitable “random-coil” 1H-nmr parameters for conformational studies of polypeptide chains in D2O and H2O solutions.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1979.360180206
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  • 20
    Electronic Resource
    Electronic Resource
    Use of amide 1H-nmr titration shifts for studies of polypeptide conformation (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 299-311 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper shows that backbone amide proton titration shifts in polypeptide chains are a very sensitive manifestation of intramolecular hydrogen bonding between carboxylate groups and backbone amide protons. The population of specific hydrogen-bonded structures in the ensemble of species that constitutes the conformation of a flexible nonglobular linear peptide can be determined from the extent of the titration shifts. As an illustration, an investigation of the molecular conformation of the linear peptide H-Gly-Gly-L-Glu-L-Ala-OH is described. The proposed use of amide proton titration shifts for investigating polypeptide conformation is based on 360-MHz 1H-nmr studies of selected linear oligopeptides in H2O solutions. It was found that only a very limited number of amide protons in a polypeptide chain show sizable intrinsic intration shifts arising from through-bond interactions with ionizable groups. These are the amide proton of the C-terminal amino acid residue, the amide protons of Asp and the residues following Asp, and possibly the amide proton of the residue next to the N-terminus. Since the intrinsic titration shifts are upfield, the downfield titration shifts arising from conformation-dependent through-space interactions, in particular hydrogen bonding between the amide protons and carboxylate groups, can readily be identified.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1979.360180207
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  • 21
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    Conformational energy calculations with averaged potential functions: Application to the repeat peptides of elastin (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 359-372 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We present a method that can reduce conformational energy calculations for an arbitrary peptide consisting of n residues (n-peptide) to the complexity of a computation for (Gly)n. This reduction, and the concomitant savings in computer time, is accomplished by replacing all side chains, as well as the backbone CαHα and CαH2α groups, by “interaction centers.” The backbone CONH group is left intact in order to preserve its directional character. The interaction centers “see” each other, and the atoms of the CONH group via Boltzmann and space-averaged effective center-center and center-atom potentials, respectively. This averaged-interaction method is tested on the repeat tetra-, penta-, and hexapeptides of elastin, Val-Pro-Gly-Gly (VPGG), Val-Pro-Gly-Val-Gly (VPGVP), and Ala-Pro-Gly-Val-Gly-Val (APGVGV), using the stereoalphabet strategy for the energy calculations. The excellent qualitative and quantitative agreement we obtain with both full atom-atom calculations and extensive nmr data, coupled with the order-of-magnitude reduction in computer time, augurs well for the potential usefulness of the method.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1979.360180212
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  • 22
    Electronic Resource
    Electronic Resource
    Circular dichroism of helical polynucleotides calculated by the linear response method (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 393-409 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Linear response theory in the decorrelation or random-phase approximation is used to calculate the absorption and CD spectra of model helical polymers, including single-stranded polyadenylic acid. The method, which makes use of infinite polymer selection rules for the linear response tensor, has the advantages that (1) only a few three-dimensional matrices need be inverted; (2) spectral band shapes of the polymer arise naturally from those of the monomer, as well as from the geometry-dependent interactions in the helix; and (3) the spectral dependence on geometrical factors of the helix is made transparent. It is found that the structure of the polymer CD spectrum depends critically on monomer bandshape. An asymmetric CD spectrum, similar to some experimental spectra, arises from either a Gaussian or a composite monomer band. Single-stranded polyadenylic acid spectra are sensitive to helix geometry in the region 200-240 nm, in reasonable agreement with experimental spectra. This sensitivity arises from the 207-nm monomer transition, and the results suggest that this region of the spectrum should be more fully exploited as a tool for helix geometry studies.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1979.360180215
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  • 23
    Electronic Resource
    Electronic Resource
    Structure and conformation of peptides: N-benzyloxycarboyl-(γ-ethyl)-L-glutamyl-(γ-ethyl)-L-glutamic acid ethyl ester (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 517-522 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: C24H34N2O9, orthorhombic, P212121; a = 39.432 (10), b = 14.061 (5), c = 4.850 (2) Å, M = 494 a.m.u., Z = 4, Dm = 1.22 g cm-3, Dx = 1.22 g cm-3, R = 0.13 for 1205 observed reflections after refinement with isotropic thermal factors. The urethane and amide bonds are in the trans configuration, as well as all the ester groups. The ϕ and ψ angles of the L-glutamyl residues fall in the β-structure region of the Ramachandran's plot; the molecule is rather flat with the amide plane almost parallel to the c axis along which two hydrogen bonds hold the molecules together to form long rows in a “parallel pleated-sheet” fashion.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/bip.1979.360180304
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  • 24
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    Far-infrared spectrum of crystalline lysozymeA preliminary account of this paper appeared in the Conference Digest of International Conference on Submillimeter Waves and Their Applications (sponsored by IEEE Society on Microwave Theory and Techniques), held on June 5-7, 1974 in Atlanta, Georgia. (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 507-516 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The far-ir absorption spectrum of lysozyme was measured at room and liquid-nitrogen temperatures. Dried layers of single crystals of tetragonal lysozyme chloride with a diameter of 100-300 μm were grown on a silicon plate. Such single-crystalline samples were considered to have the following advantages in obtaining far-ir spectra: (1) surface scattering is reduced, (2) the protein molecules are closely packed, and (3) air-drying of the crystals reduces the number of water molecules without considerably changing the original configuration. The spectrum obtained consisted of a strong background absorption and a number of absorption peaks that were not clearly observed with the sample in the form of lyophilized powder. The peaks were ascribed to various delocalized vibrations of the main and side chains in the molecule. The peaks were also compared with the positions of Raman lines. The uniform background was assigned to the water molecules remaining in the crystals.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/bip.1979.360180303
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  • 25
    Electronic Resource
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    Helix-coil transition of the dG-dC-dG-dC self-complementary duplex and complex formation with daunomycin in solution (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 553-569 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The duplex-to-strand transition of the self-complementary sequence dG-dC-dG-dC has been probed at the exchangeable and nonexchangeable protons and backbone phosphates by high-resolution nmr spectroscopy. The Watson-Crick imino and amino hydrogen-bonded protons, as well as the exposed amino protons, could be followed through the duplex-to-strand transition and provide information on base-pair stability at the tetranucleotide duplex level. The magnitudes of the experimental upfield nonexchangeable base-proton chemical shifts on duplex formation are consistent with calculations based on base-pair overlap geometries of the B-DNA type. The variation of the 31P chemical shifts in dG-dC-dG-dC with temperature appear to monitor changes in the ω,ω′ rotation angles about the O—P bonds in the postmelting transition temperature region. The complex formed between the antitumor anthracycline antibiotic daunomycin and the dG-dC-dG-dC duplex was probed at the nucleic acid and the antibiotic resonances as a function of temperature. The experimental complexation shifts of the observable daunomycin resonances have put constraints on possible overlap geometries between the intercalating anthracycline ring and adjacent base pairs.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1979.360180307
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  • 26
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    Stereochemical studies on cyclic peptides. IX. Conformational studies on cyclic tetrapeptides containing alternating cis and trans peptide unitsContribution No. 116 from Molecular Biophysics Unit, Indian Institute of Science, Bangalore. Part VIII of this series is by Manjula et al. [(1977) Proc. Ind. Acad. Sci. 86A, 443-454]. (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 591-607 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Conformational analyses of cyclic tetrapeptides consisting of alternating cis and trans peptide units have been made using contact criteria and energy calculations. This study has been restricted to those structures having a symmetry element in the backbone ring, such as a twofold axis (d) or a center of inversion (i). There are five main results. (1) There are two distinct types of conformations, which are stereochemically favorable corresponding to each of twofold and inversion-symmetrical structures, designated as d1, d2 (for twofold symmetrical) and i1, i2 (for inversion-symmetrical). Among these, the i1 type has the lowest energy when glycyl residues occur at all four α-carbon atoms. (2) With the glycyl residue at all four α-carbon atoms, methyl substitution at the cis peptide nitrogen atoms is possible in all the four types, whereas the substitution at trans peptide nitrogen atoms is possible only for the i1 type. Thus only in the i1 type can all the nitrogen atoms be methylated simultaneously. The conformation of the molecule in the crystal structure of cyclotetrasarcosyl belongs to the i1 type. (3) When alanyl residues occur at all four α-carbon atoms, the possible symmetrical type is dependent on the enantiomorphic form and the actual sequence of the alanyl residues. (4) The methyl substitution at peptide nitrogen atoms for cyclic tetrapeptides having alanyl residues causes more stereochemical restriction in the allowed conformations than with glycyl residues. (5) The prolyl residue can be incorporated favorably at the cis-trans junction of both d and i types of structures. The results of the present study are compared with the data on cyclic tetrapeptides available from the crystal structure and nmr studies. The results show an overall agreement both regarding the type of symmetry and the conformational parameters.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1979.360180309
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    Thermodynamics and kinetics of the interaction of copper (II) ions with native DNA (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 625-661 
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    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Based on equilibrium binding studies, as well as on kinetic investigations, two types of interactions of Cu2+ ions with native DNA at low ionic strength could be characterized, namely, a nondenaturing and a denaturing complex formation. During a fast nondenaturing complex formation at low relative ligand concentrations and at low temperatures, different binding sites at the DNA bases become occupied by the metal ions. This type of interaction includes chelate formation of Cu2+ ions with atoms N(7) of purine bases and the oxygens of the corresponding phosphate groups, chelation between atoms N(7) and O of C(6) of the guanine bases, as well as the formation of specific intestrand crosslink complexes at adjacent G°C pairs of the sequence dGpC. CD spectra of the resulting nondenatured complex (DNA-Cu2+)nat may be interpreted in terms of a conformational change of DNA from the B-form to a C-like form on ligand binding. A slow cooperative denaturing complex formation occurs at increased copper concentrations and/or at increased temperatures. The uv absorption and CD spectra of the resulting complex, (DNA-Cu2+)denat, indicate DNA denaturation during this type of interaction. Such a conclusion is confirmed by microcalorimetric measurements, which show that the reaction consumes nearly the same amount of heat as acid denaturation of DNA.From these and the kinetic results, the following mechanism for the denaturing action of the ligands is suggested: binding of Cu2+ ions to atoms N(3) of the cytosine bases takes place when the cytosines come to the outside of the double helix as a result of statistical fluctuations. After the completion of the binding process, the bases cannot return to their initial positions, and thus local denaturation at the G·C pairs is brought about. The probability of the necessary fluctuations occurring is increased by chelation of Cu2+ ions between atoms N(7) and O of C(6) of the guanine bases during nondenaturing complex formation, which loosens one of the hydrogen bonds within the G·C pairs, as well as by raising the temperature. The implications of the new binding model, which comprises both the sequence-specific interstand crosslinks and the described mechanism of denaturing complex formation, are discussed and some predictions are made. The model is also used to explain the different renaturation properties of the denatured complexes of Cu2+, Cd2+, and Zn2+ ions with DNA.In temperature-jump experiments with the nondenatured complex (DNA-Cu2+)nat, a specific kinetic effect is observed, namely, the appearance of a lag in the response to the perturbation. The resulting sigmoidal shape of the kinetic curves is considered to be a consequence of the necessity of disrupting a certain number of the crosslinks existing in the nondenatured complex before the local unwinding of the binding regions (a main step of denaturing complex formation) may proceed.
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    Hydroxyproline content and location in relation to collagen thermal stability (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 931-938 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new analysis has been made on studies of the influence of imino acid content on the changes of collagen thermal stability (tm). It is shown that, for the interstitial vertebrate collagens, there is a strict regularity in the changes of tm depending on hydroxyproline content. No correlation is observed between tm and proline content. Also, no correlation between tm and hydroxyproline content is observed for invertebrate and basement membrane collagens. On the basis of the reported data, the dependence of tm on hydroxyproline content is considered to be not a correlation between tm and the total content of hydroxyproline, but only as the correlation between tm and the content of hydroxyproline occurring at the third position in the sequence (Gly-R2-R3)n. The results agree with the idea that the influence exerted by proline and hydroxyproline on the stabilization of the triple helix of collagen is different.
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    Conformational changes of poly(L-histidyl-L-alanyl-α-L-glutamic acid) in solution. Transition pathways and conformational intermediates (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 981-993 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The conformation and conformational transitions of poly(His-Ala-Glu) have been investigated by ir, nmr, and CD measurements. The results obtained - as well as the results of our previous investigations by potentiometric titration and hydrodynamic techniques [Goren et al., Biopolymers (1977) 16, 1541-1555] - indicate that when dissolved in water, the co-polymer assumes a disordered conformation. On changing the pH of the solution, the states of ionization of the side-chain imidazole and carboxyl groups change in the same manner as in low-molecular-weight model compounds. Concomitantly, the overall shape of the macromolecule is altered, while the conformation of the polypeptide backbone changes from one disordered state to another but never assumes a regular form. In water/methanol and water/trifluoroethanol mixtures, transitions from a disordered state to the α-helix conformation were observed on increasing the alcohol content of the system. The conformational transitions followed pathways which differ from one another according to the experimental conditions employed. Conformational landmarks (intermediates) have been identified along these pathways.
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    Analysis of the peak trajectory in cooperative elution of ligand in affinity chromatography (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 1023-1026 
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    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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    Effect of temperature on the limiting viscosity number of hyaluronic acid and chondroitin 4-sulfate (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 1821-1828 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The decrease in the limiting viscosity number [η] with temperature T for hyaluronic acid in nonalkaline solution and chondroitin 4-sulfate in neutral and alkaline solutions may be expressed in terms of the temperature coefficient of the Kratky-Porod persistence length a: d ln a/dT = -0.0040 (±0.0005). The result, while numerically somewhat smaller, resembles qualitatively that of cellulose derivatives. As in the latter case, standard conformational calculations underestimate the coefficient, which may be due to neglect of random occurrence of local conformational features of higher energy. In alkaline solution, large decreases in [η] of hyaluronic acid are accompanied by a positive temperature coefficient of [η]. This temperature effect is interpreted as an endothermal shift from the alkaline, low [η] form of the polymer to the neutral, high [η] form with increasing temperature.
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    Comparisons between oriented film and solution tertiary structure of various nucleic acids (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 1809-1820 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We have considered whether or not the tertiary structure of a biomolecule is the same in a crystal (or an oriented film) as it is in solution. A methodology has been developed for comparing polarized absorption spectra obtained from a solid-state sample with those obtained from an oriented solute to further resolve this question. An electric dichroism instrument built in our laboratory was used to measure the solution dichroism signal which, along with the ordinary solution uv absorption spectra, yields polarized absorption spectra in the directions parallel and perpendicular to the applied electric field. These were then compared to polarized absorption data from oriented films of nucleic acids to determine whether the two sets of data could be rotated into coincidence. This rotation was accomplished using a computer program based on a nonlinear programming method. Four nucleic acids were studied and the film and solution data for three of these were found to be equivalent, requiring rotation through an angle of 3°-20°, depending on film humidity, to bring them into coincidence. For the fourth sample we were unable, perhaps because of signal-to-noise ratio limitations, to find a correlation. Flow dichroism and electric dichroism data were also found to be quite similar. Thus it is clear that the induced dipole moment is along the helical axis and that the physical, hydrodynamical, and electrical axes of the nucleic acid molecules are equivalent.
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    Effect of inhibitor complex formation on the hydration properties of α-chymotrypsin. Changes induced in protein hydration by tosylation of the native enzyme (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 1775-1791 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The effect of enzyme-inhibitor complex formation on the hydration properties of the macromolecular moiety was investigated on the model system of α-chymotrypsin and its Ser-195 tosyl derivative. The primary (A-shell) hydration of the native and modified enzyme was compared by sorption measurements. The secondary (B-shell) hydration water was investigated by differential scanning calorimetry. Tosylation is known to induce pronounced conformational changes in the chymotrypsin molecule. These structural modifications have the following effects on the hydration of the native enzyme.The water binding capacity of the protein surface is significantly increased, as shown by both the calorimetric and the sorption results. The amount of unfreezable water of primary hydration is increased by 50 mol H2O/mol chymotrypsin.The heats (ΔH) and entropies (ΔS) of the interaction of water with chymotrypsin are strongly reduced in the modified enzyme. This effect is interpretable by a reduction of the H bonding potential of the protein surface. Parallel to this decrease in δH, the heats of fusion of the secondary hydration water (Qfus) are significantly increased by tosylation (Qfus = 256.2 ± 7.8 and 294.2 ± 4.8 J g-1 H2O for the native and the tosylated enzyme, respectively). This increase in Qfus reflects an increase in the extent of H bonding in the B-shell hydration sphere.These changes in the hydration of the native enzyme, associated with the reaction: native chymotrypsin → tosylchymotrypsin, are interpreted by cooperative phase transitions of water molecules in the primary and secondary hydration water. One of these transitions was found to exhibit a significant, linear enthalpy-entropy compensation effect. The compensation temperature \documentclass{article}\pagestyle{empty}\begin{document}$ \hat{\beta} $\end{document} is 290.7 ± 2.8°K. This \documentclass{article}\pagestyle{empty}\begin{document}$ \hat{\beta} $\end{document} value agrees well with compensation temperatures reported in the literature for a series of biochemical reactions in aqueous solution (250-320° K). This agreement in \documentclass{article}\pagestyle{empty}\begin{document}$ \hat{\beta} $\end{document} may point to a common source of both compensation phenomena.
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    DNA-actinomycin interaction: Dilatometric study (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 1829-1830 
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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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    Conductometric manifestation of the transition from the ordinary to the extraordinary phase in dilute poly(L-lysine) (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 1831-1833 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
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    Masthead (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979) 
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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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    Melanostatin conformations in solution (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 1835-1848 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The conformations of melanostatin have been studied experimentally using CD spectroscopy and via calculations. In aqueous solution and 2,2,2-trifluoroethanol (TFE) there is no evidence that monomers of the tripeptide exist in an ordered (β-bend) structure. In water and TFE solutions (3-6 × 10-4M) the neutral molecules aggregate very slowly, taking about 3 days to attain equilibrium at room temperature. At equivalent concentrations in TFE, although not in water, the cationic molecules also slowly aggregate, although to a lesser extent. Calculations using rotational isomeric state theory give the most probable unperturbed end-to-end distance of the molecule at 9.3 ± 0.1 Å and indicate that a vast majority of the molecules exist in some extended conformation, end-to-end distance ≥6 Å. Only 0.4% of the molecules are calculated to have O…H separations compatible with a β-bend structure. An intramolecular hydrogen bond must have an energy at least 2 kcal/mol lower than that of an intermolecular hydrogen bond to solvent if a β-bend is to be experimentally observable.
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    Conformations of a monodisperse homohexapeptide, Nps-[Glu(OBzl)]6-NHEt, and its critical concentration of β-form formation in solution (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2105-2113 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Nps-[Glu(OBzl)]6-NHEt has been prepared by coupling Nps-[Glu(OBzl)]2-OH with HCl,H-[Glu(OBzl)]4-NHEt by means of dicyclohexylcarbodiimide. The ir spectra of its nujol mull show that the hexapeptide has the β-structure of antiparallel chains. When it is dissolved in dioxane or ethylene dichloride, the hexapeptide consists of a mixture of the β-form and the solvated σ-form, but the β-form can exist only above a certain critical concentration. The critical concentration is about 0.4g dl-1 in dioxane and 0.08g dl-1 in ethylene dichloride, and the content of β-form increases with increasing concentration above it. The CD of the dioxane and ethylene dichloride solutions shows concentration dependence in visible and uv regions.
    Additional Material: 7 Ill.
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    Intermolecular association and molecular weight of aggregates of a monodisperse homohexapeptide, Nps-[Glu(OBzl)]6-NHEt, in solution (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2115-2126 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Light scattering from the solutions of Nps-[Glu(OBzl)]6-NHEt in dioxane or ethylene dichloride has been measured at different concentrations, and a critical concentration of intermolecular association is found to exist, which is equal to the critical concentration of β-form formation. The Debye plot of light scattering leads to the molecular weight of aggregates at the critical concentration, which corresponds to an aggregation number 15 in dioxane and 53 in ethylene dichloride. In the latter solvent the aggregates further associate into a larger aggregate consisting of 330 molecules when the concentration is increased beyond the critical concentration. The content of β-form, which is a measure of number of hydrogen bonds, is derived from the ir data previously obtained. The results on the modes of intermolecular association and hydrogen bonding lead to possible structures of aggregates formed by both hydrogen bonds and other nonbonding side-chain interactions.
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    Viscosometric investigation of the ordinary-extraordinary phase transition in dilute polylysine solutions (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2127-2133 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Low shear viscosities have been determined for a 1 mg/ml poly(L-lysine) solution as a function of added salt concentration in the region of the previously reported ordinary-extraordinary phase transition. The measured viscosities indicate that the polyions are far from completely extended at the transition. Estimates of the longest internal relaxation time for an equivalent free-draining Rouse-Zimm chain give τ ≃ 10-5 sec, similar to that of the rapid, angle-independent component previously observed in the dynamic light-scattering correlation function at the transition. An unusual peak and valley are observed in the curve of [η]0 versus [NaBr] in the transition region. Possible interpretations of these features, and their bearing on the nature of the extraordinary phase, are discussed.
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    The crystal and molecular structure of cyclo-[-(D-Val-Hyi-Val-D-Hyi)3-] (meso-valinomycin, C60H102N6O18) (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2145-2166 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The crystal structure of the valinomycin analog, cyclo-[(-D-Val-Hyi-Val-D-Hyi-)3-] (meso-valinomycin, C60H102N6O18) has been determined by direct x-ray diffraction procedures. The crystals are triclinic, space group P1, number of molecules per unit cell Z = 1, and cell parameters a = 11.831, b = 13.815, c = 14.889 Å, α = 109.54°, β = 116.10°, γ = 98.89°. The atomic coordinates for the C,N,O atoms were refined in the anisotropic thermal motion approximation and for the H atoms in the isotropic approximation to R = 0.07.The structure is centrosymmetric and has a threefold axis of pseudosymmetry. The depsipeptide chain is in the form of a bracelet stabilized by six identical intramolecular 4 → 1 hydrogen bonds between the amide C=O and NH groups. The ester carbonyls are oriented towards the symmetry axis, their O atoms forming an ellipsoidal molecular cavity. The isopropyl side chains are located on the molecular periphery. The structure found differs considerably from the conformation of the crystalline naturally occurring antibiotic, valinomycin, but completely resembles that of valinomycin and meso-valinomycin in nonpolar solvents. In the crystal, meso-valinomycin molecules form stacks. The molecular cavities situated in the stacks one above the other along the pseudo-C3 axis form a continuous channel, the internal surface of which is lined by O atoms. The possible conformations of depsipeptides of the valinomycin series and their mode of action in membranes are discussed in the light of the data obtained.
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    Effect of Centrifuge Speed on the Sedimentation of High-Molecular-Weight Bacteriophage G DNA (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2353-2356 
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    Keywords: Chemistry ; Polymer and Materials Science
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    Topics: Chemistry and Pharmacology
    Notes: Large molecular weight bacteriophage G DNA, about five times larger than T2 DNA, was used to test Zimm's theory [(1974) Biophys. Chem. 1, 279-291] for the effect of rotor speed on the sedimentation of large linear monodisperse DNA. Sedimentation profiles from neutral sucrose gradinets at low and high rotor speeds show G DNA sedimenting from 1.8 to 0.7 times as fast as T2 DNA. Experimental measurements indicate that the sedimentation coefficient of G DNA decreases with increasing rotor speed about as fast as predicted by theory.
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    Infrared spectra of the N-acetyl-N′-methylamides of glycine, L-alanine, and L-leucine in dilute solutions of chloroform and carbon tetrachloride (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2507-2521 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We have examined the NH stretching frequencies of N-acetyl-N′-methyl-L-alanineamide (blocked Ala), N-acetyl-N′-methylglycineamide (block Gly), and N-acetyl-N′-methyl-L-leucineamide (blocked Leu) in chloroform using irspectroscopy. Their spectrum of blocked Leu in carbon tetrachloride was also obtained. A major absorption band at 3450 cm-1 is attributed to the unperturbed NH stretching frequency. Another major band at 3437 cm-1 (for Ala) or 3432 cm-1 (for Leu) is attributed to conformations in which the NH stretching frequency is perturbed by the spatial proximity of the Cβ atom. An absorption band between 3300 and 3370 cm-1, which has in the past been assigned to the intramolecular hydrogen-bonded NH in the C7eq conformation, was found to be concentration dependent and could not be observed below 5 × 10-4M in chloroform; thus we find no evidence for a strongly hydrogen-bonded NH in the C7eq conformation in chloroform. An absorption band at 3416 cm-1 was observed in chloroform solutions of blocked Gly, and a similar absorption appeared as a shoulder on the 3437- and 3432-cm-1 bands of blocked Ala and blocked Leu, respectively, in the same solvent. These bands, occurring near 3416 cm-1, may be assigned to extended (C5) conformations [Avignon et al., Biopolymers 8, 69 (1969)]. In CCl4 the spectrum of blocked Leu remained concentration dependent below 2.8 × 10-4M, with the 3300-3370-cm-1 band progressively weakening and shifting to higher frequencies on dilution from higher concentrations. Analysis of the spectra indicates that there is considerable flexibility in the blocked single residues, in agreement with the results of conformational energy calculations.
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    Type I Collagen Fibrillogenesis: Initiation via Reversible Linear and Lateral Growth Steps (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2523-2535 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Type I collagen fibrillogenesis in vitro has been studied by laser light scattering, and the results indicate that initiation of aggregation involves at least two steps. Step I of aggregation involves no change in the intensity of scattered light at an angle of 90° and is accompanied by a decrease in the diffusion coefficient. Step II is characterized by an increased intensity of scattered light and decreased diffusion coefficients. Theoretical calculations using the Stokes-Einstein equation for the translational diffusion coefficient and the Perrin equation for the frictional coefficient of a prolate ellipsoid indicate that the step I aggregates are 4D staggered linear dimers and trimers 570 and 845 nm long, whereas step II aggregates are greater than 950 nm in length. These dimensions are similar to those previously reported based on physicochemical measurements and electron microscopy. It is proposed that the rate and extent of fibrillogenesis in vitro is controlled by the concentration of the linear aggregates and that the effects of temperature and collagen concentration on fibrillogenesis previously observed are qualitatively explained in terms of their effects on the concentration of these aggregates.
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    Incorporation of lone pairs into the electrostatic term in the empirical intra- and intermolecular energy calculations (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2537-2547 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The method hitherto used for estimating the electrostatic term in empirical intramolecular calculations of stable conformations of biologically important molecules and macromolecules and intermolecular calculations of molecular associations or packing energy in molecular crystals had been analyzed. It has been shown that the contribution of atomic hybridization moments is omitted in the calculation of electrostatic interactions from net atomic charges localized on nuclei which have been determined by standard quantum-chemical methods. This contribution plays an important part in determining electrostatic interactions, mainly in molecules containing atoms with lone pairs. Simultaneously, a modified method for calculating the electrostatic term comprising the interaction of the lone pairs, which are represented by atomic hybridization moments, has been proposed. The relationship between the atomic hybridization moment and the bond angle has been expressed for some typical configurations occurring in biologically important molecules. Finally, this new approach is illustrated by results of the conformational analysis of some model compounds for biomolecules and compared with the approach used so far for the estimation of the electrostatic interaction in empirical methods of calculation of the intra- and intermolecular energy.
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    Quasielastic light scattering from solutions of filamentous viruses. I. Experimental (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2549-2567 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Intensity fluctuations of laser light scattered from filamentous viruses Pf1 [length L (Å) × diameter d (Å) = 20,000 × 90], M13 (9000 × 90), potato virus X (5150 × 130), and tobacco mosaic virus (3000 × 180) in sucrose density gradients were measured with a photon correlation spectrometer over a range of scattering angles from 15° to 120°. The experimental data can be approximated by two exponential decays, “slow” and “fast.” The slow decay rate constant ts-1 corresponds to the translational diffusion D of the virus, i.e., ts-1 = K2D, where K is the magnitude of the scattering vector. The amplitude of the slow component, i.e., translational diffusion, remains greater than that of the fast component, even at high KL. The fast decay rate constant tf-1 is also proportional to K2 for viruses such as Pf1, M13, and even potato virus X. In the companion paper, we shall attribute the amplitude enhancement of the translational diffusion to the coupling of its anisotropy to the rotational diffusion modes. In order to explain the excessive decay rates in the fast component, we need to consider the bending mode of rodlike viruses, especially in the longer viruses such as M13 and Pf1, in addition to the usually expected rotational diffusion modes.
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    Quasielastic light scattering from solutions of filamentous viruses. II. Comparison between theories and experiments (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2569-2588 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We have compared four theoretical effects of rodlike macromolecules with the fast components, i.e., components other than translational diffusion, of our experimental data, which are presented as amplitude autocorrelation functions of electric field scattered from dilute solutions of monodisperse rodlike viruses with lengths from 3300 Å for tobacco mosaic virus to 20,000 Å for Pf1. The four effects are (1) the optic anisotropy treated by Aragón and Pecora, (2) coupled translational-rotational diffusion due to anisotropy in translational mobility recently reformulated by Gierke, (3) anisotropic rotational diffusion with respect to the direction of translational displacement first discussed by Berne and Pecora, and (4) the bending mode of a rod by Fujime and Maruyama. We show that both the first and second effects are required to explain the enhancement of amplitude of the translational diffusion at the expense of fast components. The experimental decay rates of the fast component exceed that of the rotational diffusions. In order to explain the excessive decay rate in the fast component, we need to include a minute amount (∼1%) of bending mode of rodlike viruses, especially in longer viruses such as M13 and Pf1.
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    Origin of multipeak behavior in the NMR spectra of poly(L-glutamic acid) (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2607-2623 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The previous report that poly(L-glutamic acid) exhibits doubled resonances in the helix-coil transition region by either proton or carbon-13 nmr resolves the question of whether or not this behavior is limited to uncharged polypeptides in organic solvents, as had been previously thought. In the present work, we show that the underlying principle causing this anomalous double-peak behavior is due to molecular-weight polydispersity of the sample. The molecular-weight range in which this phenomenon is observed is largely dependent on the values of σ, the nucleation or cooperativity factor. The principles developed are shown to encompass all classes of polypeptides in a very natural way and to explain the key experimental data in the literature.
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    Conformational energy studies of linear dipeptides H-X-L-Pro-OH (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2589-2606 
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    Keywords: Chemistry ; Polymer and Materials Science
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    Topics: Chemistry and Pharmacology
    Notes: Empirical conformational energy calculations with the use of ECEPP energy functions have been carried out for linear dipeptides H-X-L-Pro-OH, with X = Gly, L-Ala, D-Ala, L-Leu, D-Leu, L-Phe, and D-Phe, in different states of protonation of the end groups. The results of these calculations are compared with the previously reported experimental equilibrium populations for the cis and trans isomers of the X-Pro bond in the different species. For all the protonation states of the seven dipeptides, the calculated nonbonded interactions and the conformational entropy term lead to a preference of the trans forms over the cis isomers by at least 1 kcal/mol. The electrostatic interactions stabilize the cis conformations in all species except the cationic forms of the D,L-peptides, and it could further be shown that only the carbonyl group of X and the two end groups contribute significantly to the total electrostatic energy. One of the principal results of the experimental studies, i.e., the occurrence of 5-15% cis-proline in all the peptides with an uncharged C-terminus, was corroborated by our investigation of the cationic species. A detailed assessment of the electrostatic contribution to the total energy of the different conformations of H-Gly-L-Pro-OH indicates that the standard ECEPP parameters tend to overestimate the electrostatic interactions in aqueous solutions of the X-Pro dipeptides.
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    Masthead (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979) 
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    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/bip.1979.360181101
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    Composite predictions of secondary structures of lac repressor (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2625-2643 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The secondary structure of the lac repressor protein proposed by Chou et al. has been modified to include the recent revisions in sequence. In addition to the Chou and Fasman method, five other methods were used; they include those of (1) Lim, (2) Ptitsyn and Finkelstein, (3) Burgess et al., (4) Bunting et al., and (5) Wu and Kabat. Any two individual methods gave results differing sharply from one another. Three or more methods were in agreement for 91, 39, and 126 residues in helix, in β, and in combined coil plus turn conformations, respectively; there were such agreements for a total of 256 of the 360 residues. Agreements in the amino-terminal third of the molecule were found for 68% of the residues, whereas in the remainder of the molecule only 53% of the residues showed such agreements. Only two helix-breaking and two β-breaking tripeptides were inconsistent with the composite predictions by three or more methods. The large number of disagreements among the results for different methods indicates that only very limited information is provided by each method and that the basis on which they operate is not clear. There is no a priori reason for a composite prediction to be more reliable than any individual prediction, and such a procedure does not permit the determination of an unambiguous secondary structure. Since these methods were applied to lac repressor before any three-dimensional crystallographic structure was known, the methods may ultimately be evaluated should such a structure become available.
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    Conformational difference in cation complexes of tetranactin in solution (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2645-2657 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The conformational changes and binding behavior of tetranactin on complexation with sodium, potassium, rubidium, cesium, and ammonium ions were investigated by the measurements of proton magnetic resonance, ir, and Raman spectra. It has been clearly shown that alkali cations coordinate to the oxygen atoms of both the carbonyl group and the tetra-hydrofuran ring, but the ammonium ion coordinates only to the oxygen atom of the tetrahydrofuran. Among the alkali cations the potassium ion most strongly coordinates to the tetrahydrofuran oxygen atoms. The complexation with larger cations induces an expansion of the cavity of the macrocyclic ring of tetranactin and smaller cations contract the cavity. The evidence is revealed by the coupling constants of the methylene protons and the frequency separation between the carbonyl stretching vibrations of the ir- and Raman-active modes. The conformations of the cation complexes in the solid are maintained in solution but that of the cation free form is not.
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    Interaction of molecules with nucleic acids. II. Two pairs of families of intercalation sites, unwinding angles, and the neighbor-exclusion principle (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2683-2719 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Intercalation-site geometries are generated for a tetramer duplex extracted from B-DNA. Glycosidic angles and puckers of the deoxyribose sugar groups bonded to base pairs BP1 and BP4, namely, those at either end of the tetramer duplex, are assumed to be those of B-DNA to insure continuity. All possible geometrical conformations for combinations of C(2′)-endo, C(3′)-endo, C(2′)-exo, and C(3′)-exo sugar puckers are determined for the tetranucleotide backbone. Those with minimum energy are selected as candidates for intercalation sites. Calculations reveal two pairs of physically meaningful families of intercalation sites which occur in two distinct regions, I and II, of helical angles which orient BP2 relative to BP3 and with the helical axis disjointed between these base pairs. For each site I and II within BP2 and BP3, there are two distinct backbone conformations, A and B, connecting BP3 to BP4 or BP1 to BP2 which do not disrupt backbone conformations connecting BP2 to BP3. Hence two pairs, IA and IB, and IIA and IIB, of intercalation sites exist in which the sugar puckers along the backbone of the tetramer alternate from C(2′)-endo to C(3′)-endo on the backbone (5′p3′) connecting BP2 to BP3. The glycosidic angles of the C(3′)-endo sugar χ3γ are, coincidentally, 80° ± 2° for both conformations γ = A and B connecting BP3 to BP4 along the phosphate backbone (5′p3′). Consistent with the theoretical results, the experimental unwinding angles can be grouped into two categories with absolute values of 18° and 26°. The theoretical unwinding angles for sites IA and IB of 16° and for sites IIA and IIB of 20° occur for a displacement of -0.8 Å in the helical axes of BP2 and BP3 and for a 100% G·C composition, with a decrease depending on the amount of A·T base pairs present. Ratios of theoretical unwinding angles of sites I and II, which range from 0.75 to 0.84 for the two principal sites, compare well with the experimental value of 0.71. The theoretical results, in agreement with experimental observation, provide a new interpretation of the nature and conformation of the possible binding sites. Conformations obtained from these studies of intercalation sites in a tetramer duplex are used to rationalize the well-known neighbor-exclusion principle. The possibility of violation of this principle is demonstrated by the existence of two families of physically meaningful conformations. Conformations of unconstrained dimer duplexes are also obtained, one of which corresponds to the experimental crystal structure of ethidium-dinucleoside complexes, but these cannot be joined to the B-DNA structure. Backbone conformations of the tetramer duplex can be constructed until the base-pair separation reaches 8.25 Å, which may limit the molecules that can intercalate.
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    Dielectric relaxation of DNA solutions. III. Effects of DNA concentration, protein contamination, and mixed solvents (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2769-2782 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: As a continuation of previous papers [Biopolymers (1976) 15, 879; (1978) 17, 1508], the low-frequency dielectric relaxation of DNA solutions was studied with a four-electrode cell and the simultaneous two-frequency measurement. Below a critical concentration, the dielectric relaxation time agrees with the rotational relaxation time estimated from the reduced viscosity and is almost independent of DNA concentration Cp, and the dielectric increment is proportional to Cp. The critical concentration is approximately 0.02% of DNA for molecular weight Mr 2 × 106 and 0.2% for Mr 4.5 × 105 in 1 mM NaCl. Dielectric relaxations are compared for samples before and after deproteinization, and the protein contamination is found to have a minor effect on the dipole moment of DNA. The effect of a mixed solvent of water and ethanol on the dielectric relaxation of DNA is well interpreted in terms of changes in viscosity and the dielectric constant of the solvent, assuming that the relaxation arises from rotation of the molecule with a quasi-permanent dipole due to counterion fluctuation.
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    Masthead (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979) 
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    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/bip.1979.360181201
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    Analysis of the 1H-NMR spectra of ferrichrome peptides. II. The amide resonances (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2911-2911 
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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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    URL: http://dx.doi.org/10.1002/bip.1979.360181119
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    Flexibility of the pyranose ring in α- and β-D-glucosesA part of this paper was presented at the International Symposium on Biomolecular Structure, Function, Conformation and Evolution held at Madras, India, January 4-7, 1978. (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2993-3004 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Conformational energies of α- and β-D-glucopyranoses were computed by varying all the ring bond angles and torsional angles using semiempirical potential functions. Solvent accessibility calculations were also performed to obtain a measure of solvent interaction.The results indicate that the 4C1 (D) chair is the most favored conformation, both by potential energy and solvent accessibility criteria. The 4C1 (D) chair conformation is also found to be somewhat flexible, being able to accommodate variations up to 10° in the ring torsional angles without appreciable change in energy. Observed solid-state conformations of these sugars and their derivatives lie in the minimum-energy region, suggesting that the substituents and crystal field forces play a minor role in influencing the pyranose ring conformation. Theory also predicts the variations in the ring torsional angles, i.e., CCCC 〈 CCCO 〈 CCOC, in agreement with the experimental results. The boat and twist-boat conformations are found to be at least 5 kcal mol-1 higher in energy compared to the 4C1 (D) chair, suggesting that these forms are unlikely to be present in a polysaccharide chain. The 1C4 (D) chair has energy intermediate between that of the 4C1 (D) chair and that of the twist-boat conformation. The calculated energy barrier between 4C1 (D) and 1C4 (D) conformations is high - about 11 kcal mol-1.
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    Density gradient proportionality constants, density distributions, and pressure effects for three salt solutions (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 3043-3065 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Earlier determinations of density gradient proportionality constants β0, density distributions ρ(r), and the effect of pressure on density gradients in the analytical ultracentrifuge have been of limited precision and usefulness in the study of proteins and polypeptides. Reasons for these difficulties are that numerous intermediate relationships were required in the calculations, and the density ranges studied were generally above 1.2 g/ml. Relations are derived in the present paper to directly compute β0(ρ) values and β0′(ρ) values from the original data without any intermediate expansions or approximations. Data are presented for CsCl, CsBr, and Cs2SO4 and compared with literature values. Density distributions are computed for all three salts under a wide variety of experimental conditions of density, column length, and angular velocity. These values of ρ(r) and re are obtained by a numerical iterative technique. Values obtained by this new method are compared with values obtained using closed-form expressions. The effects of pressure on the composition density gradient for the three salts given above are calculated and found to be significant for Cs2SO4 solutions.
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    Polyxanthylic acid: structures of the ordered forms (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 3077-3087 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We present evidence for structures of two ordered forms of polyxanthylic acid based on ir spectroscopy, pH titrations, and thermal transitions. Over the pH range ∼6-9.5, the structure is a four-stranded helix with alkali metal ions specifically complexed in the central channel. These internal counterions stabilize the structure by complexing with carbonyl oxygens and by partial screening of electrostatic repulsion caused by ionization of the xanthine residues in this pH range. Below pH 5, the structure is quite different and much more stable. Our data are consistent with a six-stranded helix in which both carbonyl oxygens and both NH protons are hydrogen bonded.
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    Infrared and Raman study in the solid state of fully protected, monodispersed homooligopeptides of L-valine, L-isoleucine, and L-phenylalanine (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 411-424 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An ir-absorption and Raman-scattering study, in the solid state, has been carried out on monodispersed, N- and C-protected homooligopeptides (number of residues, n, from 2 to 7) of L-valine, L-isoleucine, and L-phenylalanine. The amide I, II, III, V, and vNH regions have been examined. Some deuterated (ND) samples have been examined to complete the assignments. L-Phenylalanine dipeptide displays spectral characteristics compatible with the parallel β-structure; L-isoleucine and L-valine dipeptides are probably in a distorted structure. A mixture of parallel and antiparallel extended chains cannot be excluded for the peptides with n = 3. In the amide I region the spectra of peptides with n ≥ 4 show the existence of the β-conformation. The problem of chain orientation within the pleated-sheet structure is discussed on the basis of a recent theoretical treatment of vibrational interactions of the amide I mode.
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    Synthesis and conformation of a polyoxyethylene-bound undecapeptide of the alamethicin helix and (2-methylalanyl-L-alanine)1-7Dedicated to Professor Dr. Theodor Wieland on the occasion of his 65th birthday. (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 425-450 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The stepwise synthesis and conformational studies of the N-terminal helical partial sequence of the membrane-modifying polypeptide antibiotic alamethicin are described. The polyoxyethylen esters of the fragments N-t-Boc-L-Pro-Aib-Ala-Gln-Aib-Val-Aib-Gly-OH and N-Ac-Aib-L-Pro-Aib-Ala-Aib-Ala-Gln-Aib-Val-Aib-Gly-OH are synthesized using polyoxyethylene (molecular mass 10,000) as solubilizing support. CD spectra of each intermediate in ethanol show α-helix formation of the N-protected peptide polymers beginning with the nonapeptide and of the N-protonated sequences beginning with the decapeptide. Compared to the helix of alamethicin, temperature- and solvent-dependent CD measurements indicate analogous conformational behavior. The results suggest that in lipophilic media the alamethicin helix can extend the full length of the partial sequence between the two proline residues and that aqueous media favor an increase of random-coil conformation.For model studies of the particular lipid interaction of alamethicin, the stepwise synthesis of peptides with the alternating (Aib-L-Ala)n sequence (n = 1-7) was carried out on a polyoxyethylene support (molecular mass 6000). CD and ORD studies in ethanol showed a change from the random coil to a right-handed α-helix with increasing peptide length. This change is observed for the N-protected peptides at a chain length of 8 residues and for the N-protonated peptides at a length of 9 residues. The comparison of the CD data of free and polyoxyethylene-bound peptides revealed that the solubilizing polymeric support cannot induce conformational changes. The intensities of the CD bands of t-Boc-(Aib-L-Ala)n-OPOE (n ≥ 6) are higher than those of alamethicin, and these model peptides show similar temperature and solvent inducible changes of their helix contents.
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    Masthead (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979) 
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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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    Crystal structure of putrescine diphosphate: A model system for amine-nucleic acid interactions (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 539-552 
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    Keywords: Chemistry ; Polymer and Materials Science
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    Notes: The three-dimensional structure of putrescine diphosphate has been solved by x-ray diffraction analysis. The structure reveals the detailed interaction between the amino groups of putrescine and the phosphate residues in which hydrogen bonding and electrostatic forces play a predominant role. The structure serves as a useful model for understanding the interaction of amines with nucleic acids both in a sequence-specific and non-sequence-specific fashion. In particular, a model is proposed for the interaction of the E-amino group of lysine with regions of DNA containing adenine-thymine sequences.
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    An elastic model of the large-scale structure of duplex DNA (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 609-623 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A general model for the large-scale, time-independent structure of duplex DNA is developed based on elastic considerations. The general conditions of elastic equilibrium are given. These equations are solved for the equilibrium shape of stressed duplex DNA, based on the assumption that the double helix behaves mechanically as a symmetric, linearly elastic rod. It is shown that, in general, two orders of superhelicity will arise at equilibrium. Several possible applications of this approach to the supercoiling of closed circular DNA are described.
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    31P nmr spin-lattice relaxation studies of deoxyoligonucleotides (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 663-680 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Temperature-dependent conformational transitions of deoxyoligonucleotides have been monitored by measuring 31P chemical shifts, spin-lattice relaxation times (T1), and 31P-{H} nuclear Overhauser enhancements (NOEs). The measured NOE ranged from 30 to 80%, compared to the theoretical maximum of 124% for a dipolar relaxation mediated by rapid isotropic rotation. The observed 3′-5′ phosphate diester 31P T1 showed a similar temperature dependence over the range 2-75°C for both double- and single-stranded oligonucleotides, and for dinucleotides. The results show that dipole-dipole interactions dominate the internucleotide phosphate relaxation rate in oligonucleotides. The same is true of terminal phosphate groups at low temperature; but at higher temperature another process, possibly due to contamination by paramagnetic ions, becomes dominant. The rotational correlation time τR calculated from the dipole-dipole relaxation rate of the internucleotide phosphate in d(pA)2 at 16°C is τR = 5.0 × 10-10 sec, implying a Stokes radius for isotropic rotation of 7.6 Å. The T1 and NOE values for the double-helical octanucleotide d(pA)3pGpC(pT)3 are consistent with dominance of dipole-dipole relaxation and isotropic rotation of a sphere of radius 14 Å, a reasonable dimension for the double helix. Activation energies for the rotation of dinucleotides range from 4 to 6 kcal/mol, close to the value of 4 kcal/mol expected for isotropic rotation. In order to test the possible effect of internal motion of correlation time τG on the results, we considered a model in which the nucleotide chain rotates about the P-O bonds. Comparison of the calculation with our experimental results shows that internal motion with τG ≅ 10-9 sec, as found from other studies to be present for large nucleic acids, would not influence out T1 and NOE values enough to be distinguished from isotropic rotation. However, we can conclude that τG cannot be as fast as 10-10 sec, even for dinucleotides.
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    Spontaneous reduction of hemin complexes in dimethylformamide solution (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 739-742 
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    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
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    Effect of hydrophobic side chains on the pressure-induced changes in the NMR spectra of water-soluble biopolymers (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 757-763 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Measurements have been made of the high-resolution nmr spectra of the polyamino acids poly[N5-(2-hydroxyethyl)-L-glutamine] and poly[N5-(4-hydroxybutyl)-L-glutamine] in mixed deuterium oxide and water solvent at varying pressures from 1.03 to 3163.7 kg/cm2. The results are compared with previously reported results for the polymer poly[N5-(3-hydroxypropyl)-L-glutamine] under similar conditions. The significance of the behaviour of the polymers is considered in terms of the effect of the presence of hydrophobic residues in their side chains.
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    Kinetics of large-ligand binding to one-dimensional lattices: theory of irreversible binding (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 765-788 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Exact solutions are obtained for the time dependence of the extent of irreversible binding of ligands that cover more than one lattice site to a homogeneous one-dimensional lattice. The binding may be cooperative or noncooperative and the lattice either finite or infinite. Although the form of the solution is most convenient when the ligand concentration is buffered, exact numerical or approximate analytical solutions, including upper and lower bounds, can be derived for the case of variable ligand concentration as well. The physical reason behind the relative simplicity of the kinetics of irreversible as opposed to reversible binding in such systems is discussed.
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    Single crystals and oriented crystallization of ivory nut mannan (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 887-898 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The preparation of lamellar single crystals of mannan[poly((1 → 4)-β-D-mannose)] is described. Electron diffractograms clearly identify the perpendicular orientation of the chain axis with respect to the lamellar surface. Since the degree of polymerization is 40 or less, no conclusion is made as to chain folding. The unit cell corresponds to the mannan I structure derived from x-ray fiber data on oriented algal mannan. The baseplane dimensions found were a = 7.22 Å and b = 8.92 Å, and the systematic absences observed confirm the proposed P212121 group. It was found that cellulose microfibrils from Valonia ventricosa and bacterial cellulose could serve as extended chain nuclei for inducing oriented crystallization of mannan on cellulose. This produces a shish-kebab type of morphology.
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    Application of distance geometry to protein tertiary structure calculations (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 939-957 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A general approach to the problem of molecular conformation is advanced. We describe a formalism that permits experimental and theoretical information to be incorporated into a set of upper and lower bounds on intramolecular distances. Structures (conformations) meeting these bounds can be readily generated and compared with each other. To illustrate the use of the method, we have employed a simple “firehose” model for protein folding to predict the long-range hydrophobic interactions in a small protein: pancreatic trypsin inhibitor. Models of this type lead to the proper hairpin turns and a reasonable set of long-range contacts for this protein. Application of the distance geometry method then yields backbone conformations with errors of 4-8 Å compared to the native structure. We discuss both the merits and shortcomings of the firehose model and the relation between distance geometry and energy minimization techniques.
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    Conformation and circular dichroism of DNA (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 1009-1019 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: CD spectra of calf thymus, C. perfringens, E. coli, and M. luteus DNA have been measured in the vacuum-uv region to about 168 nm for the A-, B-, and C-forms. The positive band at about 187 nm and the negative band at about 170 nm found for each type and form of DNA are sensitive to the source of the DNA and the base-base interactions of the double-stranded helix. The A-form spectra confirm that these bands are indeed sensitive to secondary structure. In the near-uv, the CD of B-form DNA is well analyzed as a linear combination of 27% A-form and 78% C-form. However, an analysis of the extended spectrum demonstrates that the near-uv analysis is not correct. The extended analysis shows that the base-base interactions are similar for B- and C-forms in solution, which implies that these two forms have nearly the same number of base pairs per turn. Various types of CD difference spectra are also discussed.
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    Co-oligopeptides containing two aromatic residues spaced by glycyl residues. X. Proton magnetic resonance study of co-oligopeptides of tryptophan and glycine (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 995-1008 
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    Keywords: Chemistry ; Polymer and Materials Science
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    Topics: Chemistry and Pharmacology
    Notes: The 1H-nmr spectra of co-oligopeptides of tryptophan and glycine with structure H-Gly-Trp-(Gly)n-Trp-Gly-OH (n = 0-2) and those of several di- and tripeptides have been recorded at 360 MHz with CD3OD solutions containing 0.1N NaOD. The assignment of resonance signals was generally possible by comparing the spectra of structurally related peptides with each other. In order to solve the remaining ambiguities in the assignment, H-(αL,βS)(α,β-d2)Trp-OH, H-Trp-(αL,βS)(α,β-d2)Trp-OH, and H-Trp-(δ1,ε2,ζ2,ζ3,η2-d5)Trp-OH have been prepared and their spectra compared with those of the undeuterated compounds. The distribution of rotamers around the χ1 and (in two cases) χ2 torsion angles of the side chains has been obtained from the vicinal coupling constants 3JHαHβ and from the long-range coupling constants 4JHβHδ1. These data and an analysis of the chemical shifts of the Gly-Cα protons suggest that the orientation of the aromatic side chain is influenced by the following order of decreasing interaction with the functional groups at N- and C-side: -NH2 〉 -NHCO- 〉 -CONH-〉 -COO-. This rule does not hold for the second Trp residue of di- and tripeptides containing the -Trp-Trp- sequence, which has tentatively been attributed to steric effects.
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    Catastrophic variation of twist and writhing of circular DNAs with constraint? (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 1709-1725 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The number of constraint turns is defined as the number of bound unwinding ligands converted in turns necessary to relax the energy stored in a supercoiled DNA. It is equal to the sum of the twist and of the writhing and is interpreted geometrically. The twist is shown to be related to the derivative of the energy of superhelix formation with respect to the constraint turns. This leads to a semiempirical evaluation of the variation of the conformational energy with the writhing and of the writhing number. The bending contribution to the conformational energy is estimated independently using first-order elasticity. The variation of the twist and of the writhing with the constraint is, in this model, catastrophic. In particular, the writhing number jumps between intervals of allowed values.
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    Hydrodynamic properties of proteoglycan subunit from bovine nasal cartilage. Self-association behaviour and interaction with hyaluronate studied by laser light scattering (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 1727-1747 
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    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Measurements of translational diffusion coefficients by quasielastic laser light scattering, sedimentation coefficients, and intrinsic viscosities at zero shear of proteoglycan subunit fraction A1-D1-D1 isolated from bovine nasal septa are reported. Molecular weights and hydrodynamic dimensions are compared with those expected on the basis of structural models previously proposed. Comparison of the concentration dependence of the diffusion coefficient in the presence of NaCl and GdnHCl leads to the conclusion that significant self-association behaviour of subunit occurs in the absence of GdnHCl. In the absence of added salt, anomalous nonlinear concentration dependence of Dt estimated from wide-angle light-scattering experiments is observed. In addition, Dt apparently becomes angle dependent. These results are interpreted in terms of the perturbation of normal translational diffusion of the monomer by strong repulsive intermolecular interactions due to the combined effects of long-range electrostatic forces and macromolecular congestion at higher concentrations. By carrying out experiments at small scattering angles, it is possible to determine Dt0 for proteoglycan subunit in the absence of supporting electrolyte. Titration of a dilute solution of subunit with hyaluronic acid results in a sigmoidal behaviour of the Stokes radius, indicating the formation of complexes of higher molecular weight results from the noncovalent association of proteoglycan subunits with hyaluronate. Observation of Dt appears to provide a useful method for studying the proteoglycan subunit-hyaluronate interactions.
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    Hemoglobin aggregation in oxygenated sickle cells studied by carbon-13 rotating frame spin-lattice relaxation in the presence of an off-resonance radiofrequency field (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 1763-1768 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Evidence is presented which shows that hemoglobin S in sickle cells has a tendency to aggregate even in the oxygenated state. The basis for that conclusion is derived from 13C-nmr rotating-frame spin-lattice relaxation studies in the presence of an off-resonance radiofrequency field in which the carbonyl resonances of hemoglobins in erythrocytes are examined. The experiments indicate that the rotational correlation time of hemoglobin S in oxygenated sickle cells at 38°C is 130 nsec compared to a value of 95 nsec for hemoglobin A in normal erythrocytes at the same temperature and the same mean cell hemoglobin content.
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    7-Amino-actinomycin D complexes with deoxynucleotides as models for the binding of the drug to DNA (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 1749-1762 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Fluorescence, CD, absorption, and 1H-nmr studies are reported for complexes of 7-amino-actinomycin D with deoxydinucleotides, deoxytetranucleotides, and poly(dG-dC)· poly(dG-dC). The optical spectra for the 7-amino-actinomycin D complex with pdG-dC, pdG-dC-dG-dC and pdC-dG-dC-dG are similar in shape to the 7-amino-actinomycin D complex with either DNA or poly(dG-dC). The changes in the 1H chemical shifts of the 7-amino-actinomycin D and the pdG-dC resonances that accompany complex formation show that 7-amino-actinomycin D forms a minature intercalated complex with two pdG-dC molecules. The magnitudes of the induced chemical shifts for the 7-amino-actinomycin D complex formation with pdG-dC are similar to, but slightly different from, the induced chemical shifts which are obtained when actinomycin D forms a minature intercalated complex with two pdG-dC molecules. The pdN-dG dinucleotides (N = C, A, or T) form stacked complexes with 7-amino-actinomycin D. The presence of the 7-amino-group results in a larger dimerization constant (in aqueous solution) for 7-amino-actinomycin D [KD(6°C) = 4.4 × 103M-1], as compared to actinomycin D [KD(6°C) = 1.7 × 103M-1]; the chemical shifts which accompany dimer formation indicate that the chromophores stack in an inverted manner. Intercalation of 7-amino-actinomycin D into minature double helices, as well as into calf thymus DNA, poly(dG-dC)·poly(dG-dC), and poly(dA-dC)·poly(dG-dT), results in an enhancement of the relative fluorescence intensity and a shift in both the absorbance and corrected emission spectra.
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    Conformational dependence of vicinal 13C′NCαH coupling constants in peptides: A dirac vector model investigationContribution No. 135 from the Molecular Biophysics Unit, Indian Institute of Science, Bangalore, India. (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 1769-1774 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Theoretical calculations of the heteronuclear vicinal coupling constant 3J(13C′NCαH) in peptides have been carried out using the Dirac vector model. The results showed an angular dependence for this coupling constant, which can be expressed in the form 3J(13C′NCαH) = A cos2 θ + B cos θ + C, where A, B, and C are constants and θ is related to the torsional angle φ of the peptide backbone. The results of the present calculations are in very good agreement with those obtained using finite perturbation theory at the INDO level of approximation.
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    Titration and fluorometric studies of the tyrosine side chain of angiotensin II and related peptides (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 1793-1807 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The effect of charged side chains on the ionization and fluorescence of the Tyr4 phenolic group in angiotensin (Asp-Arg-Val-Tyr-Ile-His-Pro-Phe) was investigated. Several synthetic peptides related to angiotensin were titrated spectrophotometrically and quantum yields of tyrosine fluorescence were also determined. The electrostatic interactions were interpreted according to the Kirkwood-Tanford theory, and the results were related to a recently proposed model [J. L. De Coen and E. Ralston (1977) Biopolymers 16, 1929] for angiotensin conformation in solution. The titration and fluorescence results are in good agreement with the folded conformations of this model, with the exception that the data indicate a weaker interaction between the histidine side chain and the C-terminal carboxyl groups than that proposed in the model.
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    Electric field effect on the helix-coil transition of poly(L-α,γ-diaminobutyric acid hydrochloride) in methanol/water mixtures (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2005-2013 
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    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Transient electric birefringence of poly(L-α,γ-diaminobutyric acid hydrochloride) in methanol/water mixtures has been measured over a wide range of field strengths and solvent compositions and at different polymer concentrations and temperatures. The molar ellipticity at 222 nm and the specific Kerr constant underwent an abrupt change between 75 and 80 vol % methanol at 25°C, accompanied by a solvent-induced helix-coil transition. Anomalous birefringence transients were observed between 78 and 80 vol% methanol above threshold field strengths. The double logarithmic plots of the steady-state specific birefringence versus the square of field strength for different solvent compositions and polymer concentrations could be superimposed by shifting them horizontally along the abscissa and vertically along the ordinate except for the range where anomalous transients were observed. The threshold field strength could be estimated from the point at which a downward deviation occurred. It increased with increasing polymer concentration and with increasing methanol content on the verge of the transition region. The results were interpreted as indicating that a conformational change from the charged helix to the charged coil is induced by high fields in this system, as in the case of poly(L-lysine hydrobromide) in methanol/water mixtures.
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    Kinetics of nucleic acid-large ligand interactions: Exact Monte Carlo treatment and limitingl cases of reversible binding (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2037-2050 
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    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Many ligands, including basic polypeptides, histones, and other proteins bind nonspecifically to DNA in such a way as to render unavailable for further binding several contiguous sites (generally bases or base pairs). An accurate description of the kinetics of such large ligand binding requires a more complex theoretical analysis than does the study of the binding of small ligands to DNA. An exact analytical solution of the problem does not appear feasible. Instead, a Monte Carlo approach is developed which provides an essentially exact numerical solution by simulating the binding experiment using a model one-dimensional lattice to represent the DNA molecule. For the limiting cases of totally irreversible binding and of instantaneous redistribution of bound ligands along the lattice, relatively simple equations can be written and solved for the binding kinetics. These solutions and their realms of applicability are discussed in some detail.
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    On the possibility of true phase transition in heterogeneous DNA during thermal denaturation under conditions close to equal stability of A+T and G+C pairs (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2279-2287 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The DNA helix-coil transition has been studied in the presence of high concentrations of manganese ions (about 10-3M), which corresponds to the conditions close to equal stability of the A+T and G+C pairs, at the ionic strengths of 10-1, 10-2, and 1.6 × 10-3M Na+. With the Mn2+ ion effect, the transition range is significantly reduced to not more than 0.2°C at 1.2 × 10-3M Mn2+ and 1.6 × 10-3M Na+. The melting curves display a sharp kink at the end of the helix-coil transition, which is interpreted as an indication of the second-order phase transition. It is shown that the melting curves obtained can be approximated by a simple analytical expression 1 - θ = exp[-a(tc - t)], where θ is the DNA helix fraction, tc is the phase transition temperature, and a is an empirical parameter characterizing the breadth of the melting range and responsible for the magnitude of a jump of the helicity derivative with respect to the temperature at the phase transition point.
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    Differentiation between the α-helical and coillike conformations of poly(L-glutamic acid) in aqueous solution through binding of pinacyanol (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2267-2277 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Pinacyanol in the presence of an excess of poly(L-glutamic acid) [polymer/dye ratio (P/D) 〉 10] exhibits different absorption spectra in the visible region when bound to the slightly charged polypeptide in the α-helical conformation or to the nearly completely dissociated polypeptide in the coillike conformation. These spectra reveal aggregation of the dye bound to the macromolecular chain in both conformations, although in the coillike one different kinds of aggregates may be present. Dye binding is accompanied by the appearance of CD bands in the visible region which are also different for the α-helical and the coillike conformations. The aggregates formed in the presence of the latter change slowly in time and seem to induce some conformational changes in the polypeptide chain. Furthermore, they have been found to be, at least partially, stable with respect to a subsequent reversal to the α-helical conformation. All results could be qualitatively interpreted assuming that in the coillike conformation, ordered regions exist along the chain as proposed by Krimm and Tiffany.
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    Circular dichroism of complexes of NADH with self-associating bovine liver glutamate dehydrogenase (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2289-2301 
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    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The CD of GDH-NADH complexes was measured in order to reexamine the binding of coenzyme to GDH. The existence of two distinct Cotton effects associated with two separate NADH binding sites/subunit was confirmed with native, polymerizing and crosslinked, unpolymerizing enzyme. CD titration of the high-affinity NADH sites revealed significant dependence of the optical activity of the bound coenzyme on the state of protein association. Molar ellipticity of bound NADH decreased with the increasing degree of polymerization of GDH. It is suggested that the high-affinity NADH sites are loacted at or near the association interface. Binding of NADH to the low-affinity sites, in the presence of GTP, leads to an inversion of the CD spectrum of GDH-NADH complexes. This inversion is not related to the polymerization of GDH. However, for proper analysis of the CD of NADH bound to the low-affinity sites, a correction for the effect of polymerization on the optical activity of NADH bound to the high-affinity sites is required.
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    Nematic polymers: Excluded-volume effects (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2315-2322 
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    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We present a theoretical model which describes a cooperative helix-coil liquid-crystal phase transition. We show that this model predicts a first-order phase transition where certain types of chainlike macromolecules in solution make a transition from a nearly coiled to a nearly rigid conformation accompanied by a simultaneous development of long-range nematic-type liquid crystalline orientational order. From this model, the phase boundaries between nematic and isotropic phases are obtained as functions of concentration of macromolecules and of other physical parameters.
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    Analysis of the ionic contribution to the affinity of steroid diamines for DNA (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2357-2358 
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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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    Collagen model peptides with antiparallel structure (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2359-2361 
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    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/bip.1979.360180923
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    Structure of bovine anterior lens capsule basement membrane collagen molecules from electron microscopy (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2363-2367 
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    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1979.360180924
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    Formation of ternary complexes involving zinc or copper ions, polynucleotides, and polypeptides containing glutamic acid and tyrosine residues (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2659-2672 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Metal ions such as Zn2+ and Cu2+ can mediate interactions between copolypeptides (Glux, Tyry)n and polynucleotides. CD data show that these ternary complexes are characterized by an unstacking of nucleic acid bases, while the polypeptide adopts an α-helical conformation as observed in the two binary complexes polynucleotide-cation and polypeptide-cation. Fluorescence studies demonstrate that tyrosyl side chains interact with nucleic acid bases in the ternary complexes, leading to a quenching of tyrosine fluorescence.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1979.360181103
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  • 89
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    Enthalpy of Mixing Glycosaminoglycans with Aqueous NaCl (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2673-2681 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Calorimetric measurements of ΔH, the enthalpy of mixing with NaCl solutions per mole of polymer charge equivalent, have been made for the sodium salts of hyaluronate, chondroitin 4-sulfate, and chondroitin over the range msf = 0-0.5 (where msf is final NaCl molality); corrections were made for the enthalpy of dilution of NaCl. Values of ΔH for the range msf = 0-0.1 agree reasonably well with a theoretical estimate from the infinite line charge theory of polyelectrolytes. In order to apply the latter, calculations of several average short-range atomic spacings in hyaluronate were made from a statistical model with use of energy parameters which provide a good fit to experimental values of unperturbed dimensions.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1979.360181104
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  • 90
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    Effect of O(2′)-methylation on the stability of polynucleotide helices (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2721-2731 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The effect of ribose(O2′)-methylation on the stability of (O2′)-methylated polyribonucleotide helices has been studied by conformational energy calculations. The preferred orientation of the methyl group is found to further stabilize the helical phosphodiester conformation (g-,g-) due to the enhanced short-range interactions arising between the methyl groups and the adjacent ribose moieties. The experimentally observed increase in melting temperature of (O2′)-alkylated polyribonucleotides is thus attributable to the enhanced stability of the helical backbone conformation.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1979.360181106
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  • 91
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    Absorption and circular dichroism spectra of methylene blue bound to alginate (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2745-2768 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The addition of methylene blue to certain samples of Na alginate produces a complex succession of spectrally distinguishable aggregated (metachromatic) dye species. Three of these species are active in CD; they are interpreted as aggregates of dye, but probably dimers, bound in orientations characteristic of the constituent copolymer blocks of alginate to which they are tentatively assigned. The aggregates compete with divalent metal ions and hydrogen ion for the binding sites of the polymer. Other samples of alginate give a modified succession of aggregated spectral species, which are almost devoid of CD activity. Mild treatment with acid, insufficient for hydrolysis, converts forms of alginate with CD activity into modified forms without it, the absorption spectra of which resemble those of samples originally devoid of activity. It is implied, subject to confirmation, that the chiral properties of the binding sites of the native polysaccharide are diminished or lost by acid treatment during commercial preparation.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1979.360181108
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  • 92
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    Statistical-mechanical treatment of violations of the double helix in supercoiled DNA (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2733-2744 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We consider the problem of making allowance for superhelicity in the statistical-mechanical calculations of fluctuational violations of the DNA double helix. A simple model is discussed, making it possible in the calculations to use an approach based on the theory of helix-coil transition in DNA. The proposed algorithms allow calculating the effect of superhelicity on the base-pair fluctuational opening for any given sequence of nucleotides. An algorithm is also proposed allowing for the hairpin and cruciform structures in the palindromic regions of a sequence, as well as the open and helical states. The theory is used to calculate the melting curve for superhelical DNA at temperatures well below the melting point of the linear or nicked forms. The maps of opening probability are calculated for SV40 and φX174 DNA using their recently published complete nucleotide sequences. The data explain well the experimental results of probing the secondary structure of these DNA by single strand-specific endonucleases.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1979.360181107
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  • 93
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    Synthesis of sequential polypeptides containing L-β-3,4-dihydroxyphenyl-α-alanine (DOPA) and L-glutamic acid (1979)
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 3067-3076 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Sequential polypeptides with the repeating units L-glutamyl-L-DOPA, L-DOPA-L-glutamyl-L-DOPA, L-glutamyl-L-glutamyl-L-DOPA, L-DOPA-L-DOPA-L-glutamyl-L-DOPA, and L-glutamyl-L-glutamyl-L-glutamyl-L-DOPA have been synthesized by solution polymerization of the p-nitrophenyl esters of the corresponding di-, tri-, and tetrapeptides. The O, O′-dimethyl and γ-methyl groups were used to protect side chains of L-DOPA and L-glutamic acid. The monomers for the polytripeptides and polytetrapeptides were prepared by stepwise elongation, using the dicyclohexylcarbodiimide coupling method. Moderately high molecular weight sequential polypeptides were obtained. The protected groups of the side chain were removed simultaneously by use of boron tribromide in chloroform. Trimethylphosphate-soluble sequential polypeptides containing L-DOPA were obtained.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1979.360181212
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    Apparate für die Destillation, Rektifikation, Sorption, Permeation und ExtraktionBerichterstatter: Dr. Ing. R. Schmidt und Dipl.-Ing. Rosemarie Berger, BASF Aktiengesellschaft, Postfach, 6700 Ludwigshafen/Rh. (1979)
    Weinheim : Wiley-Blackwell
    Chemie Ingenieur Technik - CIT 51 (1979), S. 1151-1158 
    Details
    ISSN: 0009-286X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cite.330511203
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    Apparate und Maschinen für die Hochdruck-TechnikBerichterstatter: Dipl.-Ing. H. Wendt, BASF Aktiengesellschaft, D-6700 Ludwigshafen/Rh. (1979)
    Weinheim : Wiley-Blackwell
    Chemie Ingenieur Technik - CIT 51 (1979), S. 1184-1190 
    Details
    ISSN: 0009-286X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cite.330511207
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    WerkstoffprüfungBerichterstatter: Dipl.-Phys. W. Siehr, Staatliche Materialprüfungsanstalt, Abt. Kunststoffe, Grafenstr. 2, 6100 Darmstadt. (1979)
    Weinheim : Wiley-Blackwell
    Chemie Ingenieur Technik - CIT 51 (1979), S. 1213-1215 
    Details
    ISSN: 0009-286X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cite.330511211
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    Ultrafiltration bei konzentrationsabhängigen Stoffwerten (1979)
    Weinheim : Wiley-Blackwell
    Chemie Ingenieur Technik - CIT 51 (1979), S. 1241-1241 
    Details
    ISSN: 0009-286X
    Keywords: Ultrafiltration ; konzentrationsabhängige Stoffwerte ; makromolekulare Stoffe ; Konzentrationspolarisation ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cite.330511218
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    Gleichgewicht bei der Adsorption mehrerer Komponenten aus der GasphaseVortrag anläßlich der Sitzung des GVC-Fachausschusses „Trocknungstechnik“ am 26. April 1979 in Eindhoven. (1979)
    Weinheim : Wiley-Blackwell
    Chemie Ingenieur Technik - CIT 51 (1979), S. 1245-1245 
    Details
    ISSN: 0009-286X
    Keywords: Adsorption ; Mehrkomponentengleichgewicht ; Phasengleichgewicht ; Langmuir-Gleichung ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cite.330511220
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    Die Abscheidung von Nebeltropfen in Lamellenbündeln (1979)
    Weinheim : Wiley-Blackwell
    Chemie Ingenieur Technik - CIT 51 (1979), S. 1255-1255 
    Details
    ISSN: 0009-286X
    Keywords: Tropfenabsceidung ; Lamellenabsceider ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cite.330511223
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    Vapor-Liquid Equilibrium Data Collection, Vol. I, Part 2b “Organic Hydroxy Compounds: Alcohols and Phenols”. Von J. Gmehling, U. Onken und W. Arlt. Herausgeg. von der DECHEMA, D. Behrens, R. Eckermann. Bischoff-Verlag, Frankfurt/M. 1978. 1. Aufl., XVIII, 556 S., zahlr. Abb. u. Tab., geb., DM 142,- (1979)
    Weinheim : Wiley-Blackwell
    Chemie Ingenieur Technik - CIT 51 (1979), S. 1258-1258 
    Details
    ISSN: 0009-286X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cite.330511226
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