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  • 101
    Publikationsdatum: 2014-02-26
    Beschreibung: Die KOBV-Zentrale betreibt mit dem KOBV-Portal neben der Metasuche in freien Online-Katalogen und Datenbanken ein Nachweisinstrument für elektronische Ressourcen, die von den Bibliotheken Berlin-Brandenburgs lizenziert sind und darüber hinaus diejenigen, die frei zugänglich sowie wissenschaftlich relevant sind. Die Erschließung der freien Ressourcen übernimmt eine kooperative Fachredaktion, die sich aus FachreferentInnen und -lektorInnen aus der Region rekrutiert. Dabei übernimmt jede beteiligte Person die Betreuung einer oder mehrerer Fachgruppen der Dewey Decimal-Classification (DDC) eigenverantwortlich. Die Aufgabe aller FachredakteurInnen besteht in der inhaltlichen Beschreibung, der Klassifizierung, der Vergabe von Schlagworten und der regelmäßigen Reevaluation der einzelnen Ressourcen. Die KOBV-Zentrale hat hierfür einen Kriterienkatalog entwickelt, der als Grundlage für die Beurteilung von elektronischen Ressourcen dient. Erschlossen werden die Ressourcen schließlich über ein webbasierte Eingabe-Tool, dem Metadata-Tool der KOBV-Zentrale. Über eine Mailingliste wird der Abstimmungsbedarf untereinander gedeckt und Diskussionen geführt, die das Projekt weiterführen sollen. Der Artikel beschreibt das Konzept der kooperativen Fachredaktion für freie Ressourcen, die Vorgänge und die Arbeiten, die für die Initiierung notwendig waren.
    Schlagwort(e): ddc:000
    Sprache: Deutsch
    Materialart: reportzib , doc-type:preprint
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  • 102
    Publikationsdatum: 2014-02-26
    Beschreibung: We present a new algorithm for fairing of space curves with respect spatial constraints based on a vector valued curvature function. Smoothing with the vector valued curvature function is superior to standard Frenet techniques since the individual scalar components can be modeled similar to curvature-based curve smoothing techniques in 2d. This paper describes a curve smoothing flow that satisfies strict spatial constraints and allows simultaneous control of both curvature functions.
    Schlagwort(e): ddc:000
    Sprache: Englisch
    Materialart: reportzib , doc-type:preprint
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  • 103
    Publikationsdatum: 2016-06-09
    Beschreibung: Scattering problems in integrated optics can be modeled in simple cases by the Helmholtz equation. The computational domain is truncated by a non-reflecting boundary condition. We investigate Schwarz algorithms with a sort of DtN operator, realized by the PML-method, at the interfaces of the sub-domains as an iterative solver.
    Schlagwort(e): ddc:000
    Sprache: Englisch
    Materialart: reportzib , doc-type:preprint
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  • 104
    Publikationsdatum: 2019-05-10
    Beschreibung: Adaptive numerical methods in space and time are introduced and studied for multiscale cardiac reaction-diffusion models in three dimensions. The evolution of a complete heartbeat, from the excitation to the recovery phase, is simulated with both the anisotropic Bidomain and Monodomain models, coupled with either a variant of the simple FitzHugh-Nagumo model or the more complex phase-I Luo-Rudy ionic model. The simulations are performed with the {\sc kardos} library, that employs adaptive finite elements in space and adaptive linearly implicit methods in time. The numerical results show that this adaptive method successfully solves these complex cardiac reaction-diffusion models on three-dimensional domains of moderate sizes. By automatically adapting the spatial meshes and time steps to the proper scales in each phase of the heartbeat, the method accurately resolves the evolution of the intra- and extra-cellular potentials, gating variables and ion concentrations during the excitation, plateau and recovery phases.
    Schlagwort(e): ddc:000
    Sprache: Englisch
    Materialart: reportzib , doc-type:preprint
    Format: application/pdf
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  • 105
    Publikationsdatum: 2021-02-01
    Beschreibung: Mathematical decision support for operative planning in water supply systems is highly desirable but leads to very difficult optimization problems. We propose a nonlinear programming approach that yields practically satisfactory operating schedules in acceptable computing time even for large networks. Based on a carefully designed model supporting gradient-based optimization algorithms, this approach employs a special initialization strategy for convergence acceleration, special minimum up and down time constraints together with pump aggregation to handle switching decisions, and several network reduction techniques for further speed-up. Results for selected application scenarios at Berliner Wasserbetriebe demonstrate the success of the approach.
    Schlagwort(e): ddc:000
    Sprache: Englisch
    Materialart: reportzib , doc-type:preprint
    Format: application/pdf
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  • 106
    facet.materialart.
    Unbekannt
    Publikationsdatum: 2014-02-26
    Beschreibung: The theory of hierarchical Boolean satisfiability (SAT) solving proposed in this paper is based on a strict axiomatic system and introduces a new important notion of implicativity. The theory makes evident that increasing implicativity is the core of SAT-solving. We provide a theoretical basis for increasing the implicativity of a given SAT instance and for organizing SAT-solving in a hierarchical way. The theory opens a new domain of research: SAT-model construction. Now quite different mathematical models can be used within practical SAT-solvers. The theory covers many advanced techniques such as circuit-oriented SAT-solving, mixed BDD/CNF SAT-solving, merging gates, using pseudo-Boolean constraints, using state machines for representation of Boolean functions, arithmetic reasoning, and managing don t cares. We believe that hierarchical SAT-solving is a cardinal direction of research in practical SAT-solving.
    Schlagwort(e): ddc:000
    Sprache: Englisch
    Materialart: reportzib , doc-type:preprint
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  • 107
    Publikationsdatum: 2020-12-15
    Beschreibung: The \emph{fare planning problem} for public transport is to design a system of fares that maximize the revenue. We introduce a nonlinear optimization model to approach this problem. It is based on a d iscrete choice logit model that expresses demand as a function of the fares. We illustrate our approach by computing and comparing two different fare systems for the intercity network of the Netherlands.
    Schlagwort(e): ddc:000
    Sprache: Englisch
    Materialart: reportzib , doc-type:preprint
    Format: application/pdf
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  • 108
    Publikationsdatum: 2020-12-15
    Beschreibung: The line planning problem is one of the fundamental problems in strategic planning of public and rail transport. It consists in finding lines and corresponding frequencies in a network such that a giv en demand can be satisfied. There are two objectives. Passengers want to minimize travel times, the transport company wishes to minimize operating costs. We investigate three variants of a multi-commo dity flow model for line planning that differ with respect to passenger routings. The first model allows arbitrary routings, the second only unsplittable routings, and the third only shortest path rou tings with respect to the network. We compare these models theoretically and computationally on data for the city of Potsdam.
    Schlagwort(e): ddc:000
    Sprache: Englisch
    Materialart: reportzib , doc-type:preprint
    Format: application/pdf
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  • 109
    Publikationsdatum: 2020-11-13
    Beschreibung: \documentclass[12pt]{article} \usepackage{german} \parindent=0pt \begin{document} Im KOBV wird für die Online-Fernleihe der Zentrale-Fernleihserver (ZFL-Server) der Firma Sisis eingesetzt. Die Software ist in der KOBV-Zentrale installiert. Der ZFL-Server dient im KOBV sowohl für die Bestellung von Monographien als auch für die Bestellung von Aufsatzkopien aus Zeitschriften. Prinzipiell gibt es zwei Verfahren, mit denen sich Bibliotheken an der Online-Fernleihe beteiligen können: das E-Mail-Verfahren und das SLNP-Verfahren. Auf beide wird im Handbuch eingegangen. Die Online-Fernleihe wurde im KOBV eingeführt, um die Fernleihe für die Benutzer zu beschleunigen, das Verfahren für die Bibliotheksmitarbeiter zu vereinfachen und den Arbeitsaufwand zu reduzieren. Sie basiert darauf, dass eine Bestellung anhand eines gefundenen Treffers ausgelöst wird - d.h. die bibliographischen Daten sind bereits verifiziert und in einem Katalog nachgewiesen. Anschlie\"send werden die Fernleihbestellungen über den ZFL-Server automatisch ausgeführt und verwaltet - sowohl in der regionalen KOBV-Fernleihe als auch in der verbundübergreifenden Fernleihe mit den deutschen Bibliotheksverbünden. Der ZFL-Server besteht aus verschiedenen technischen Komponenten. Eine dieser Komponenten ist das Bibliothekskonto, eine Internetanwendung, in der die Bestellverwaltung des ZFL-Servers im Internet für die Bibliotheksbediensteten transparent gemacht wird. Sowohl für die aktive als auch für die passive Fernleihe ist im Bibliothekskonto der Status der Bearbeitung zu jedem Zeitpunkt ersichtlich, z.B. in welcher Bibliothek sich die Bestellung gerade befindet, wann sie dort eingegangen ist und wann sie weggeschickt wurde, ob mit positivem oder negativem Ergebnis. Das Bibliothekskonto ist damit für die Bibliothek ein komfortables Instrument zum Überwachen der Fernleihbestellungen, in dem sie zudem - falls notwendig - in den Bestellvorgang eingreifen kann. Dazu hat jede Bibliothek im Bibliothekskonto eine eigene, Passwort-geschützte Dienstoberfläche. Das vorliegende Handbuch beschreibt die Vorgänge der Bestellverwaltung im Bibliothekskonto. Es richtet sich an Bibliotheksmitarbeiter, die sich mit den einzelnen Arbeitsschritten der Online-Fernleihe vertraut machen wollen. Darüber hinaus ist es zum Nachschlagen gedacht, wenn sich in der täglichen Arbeit Unklarheiten ergeben. \end{document}
    Schlagwort(e): ddc:000
    Sprache: Deutsch
    Materialart: reportzib , doc-type:preprint
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  • 110
    facet.materialart.
    Unbekannt
    Publikationsdatum: 2022-03-14
    Beschreibung: The Feasibility Pump of Fischetti, Glover, Lodi, and Bertacco has proved to be a very successful heuristic for finding feasible solutions of mixed integer programs. The quality of the solutions in terms of the objective value, however, tends to be poor. This paper proposes a slight modification of the algorithm in order to find better solutions. Extensive computational results show the success of this variant: in 89 out of 121 MIP instances the modified version produces improved solutions in comparison to the original Feasibility Pump.
    Schlagwort(e): ddc:000
    Sprache: Englisch
    Materialart: reportzib , doc-type:preprint
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  • 111
    Publikationsdatum: 2014-02-26
    Beschreibung: In this letter we report on a numerical investigation of the Aoki phase in the case of finite temperature which continues our former study at zero temperature. We have performed simulations with Wilson fermions at $\beta=4.6$ using lattices with temporal extension $N_{\tau}=4$. In contrast to the zero temperature case, the existence of an Aoki phase can be confirmed for a small range in $\kappa$ at $\beta=4.6$, however, shifted slightly to lower $\kappa$. Despite fine-tuning $\kappa$ we could not separate the thermal transition line from the Aoki phase.
    Schlagwort(e): ddc:000
    Sprache: Englisch
    Materialart: reportzib , doc-type:preprint
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  • 112
    facet.materialart.
    Unbekannt
    Publikationsdatum: 2021-02-01
    Beschreibung: The dynamics of pressurized water distribution networks are naturally modeled by differential algebraic equations (DAE). This paper investigates fundamental structural properties of such a DAE model under weak regularity assumptions. The usual partial derivative-based index-1 condition is shown to be necessary and sufficient for several index concepts, as well as sufficient for solvability in a strong sense. Using the physical properties of nonlinear network elements and the inherent saddle point structure of network hydraulics, we then derive purely topological index criteria based on the network graph and the choice of control variables. Several examples illustrate the theoretical results and explore different non-index-1 situations. A brief discussion of the implications for operative planning by discrete time DAE boundary value problems concludes the paper.
    Schlagwort(e): ddc:000
    Sprache: Englisch
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  • 113
    Publikationsdatum: 2020-02-11
    Beschreibung: Using the popular puzzle game of Sudoku, this article highlights some of the ideas and topics covered in ZR-04-58.
    Schlagwort(e): ddc:000
    Sprache: Englisch
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  • 114
    Publikationsdatum: 2021-03-16
    Beschreibung: Perfect graphs constitute a well-studied graph class with a rich structure, reflected by many characterizations with respect to different concepts. Perfect graphs are, for instance, precisely those graphs $G$ where the stable set polytope $STAB(G)$ coincides with the fractional stable set polytope $QSTAB(G)$. For all imperfect graphs $G$ it holds that $STAB(G) \subset QSTAB(G)$. It is, therefore, natural to use the difference between the two polytopes in order to decide how far an imperfect graph is away from being perfect; we discuss three different concepts, involving the facet set of $STAB( G)$, the disjunctive index of $QSTAB(G)$, and the dilation ratio of the two polytopes. Including only certain types of facets for $STAB(G)$, we obtain graphs that are in some sense close to perfect graphs, for example minimally immperfect graphs, and certain other classes of so-called rank-perfect graphs. The imperfection ratio has been introduced by (Gerke and McDiarmid, 2001) as the dilation ratio of $STAB(G)$ and $QSTAB(G)$, whereas (Aguilera et al., 2003) suggest to take the disjunctive index of $Q STAB(G)$ as the imperfection index of $G$. For both invariants there exist no general upper bounds, but there are bounds known for the imperfection ratio of several graph classes (Coulonges et al. 2005, Gerke and McDiarmid, 2001). Outgoing from a graph-theoretical interpretation of the imperfection index, we conclude that the imperfection index is NP-hard to compute and we prove that there exists no upper bound on the imperfect ion index for those graph classes with a known bounded imperfection ratio. Comparing the two invariants on those classes, it seems that the imperfection index measures imperfection much more roughly than the imperfection ratio; therefoe, discuss possible directions for refinements.
    Schlagwort(e): ddc:000
    Sprache: Englisch
    Materialart: reportzib , doc-type:preprint
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  • 115
    Publikationsdatum: 2020-11-13
    Beschreibung: Many online problems encountered in real-life involve a two-stage decision process: upon arrival of a new request, an irrevocable first-stage decision (the assignment of a specific resource to the request) must be made immediately, while in a second stage process, certain ``subinstances'' (that is, the instances of all requests assigned to a particular resource) can be solved to optimality (offline) later. We introduce the novel concept of an \emph{Online Target Date Assignment Problem} (\textsc{OnlineTDAP}) as a general framework for online problems with this nature. Requests for the \textsc{OnlineTDAP} become known at certain dates. An online algorithm has to assign a target date to each request, specifying on which date the request should be processed (e.\,g., an appointment with a customer for a washing machine repair). The cost at a target date is given by the \emph{downstream cost}, the optimal cost of processing all requests at that date w.\,r.\,t.\ some fixed downstream offline optimization problem (e.\,g., the cost of an optimal dispatch for service technicians). We provide general competitive algorithms for the \textsc{OnlineTDAP} independently of the particular downstream problem, when the overall objective is to minimize either the sum or the maximum of all downstream costs. As the first basic examples, we analyze the competitive ratios of our algorithms for the par ticular academic downstream problems of bin-packing, nonpreemptive scheduling on identical parallel machines, and routing a traveling salesman.
    Schlagwort(e): ddc:000
    Sprache: Englisch
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  • 116
    Publikationsdatum: 2022-07-19
    Beschreibung: Inhalt dieser Diplomarbeit ist ein Beleuchtungs- und Visualisierungsmodell für Pflanzen im interaktiven Landschaftsrendering. Ziel ist die qualitativ hochwertige Darstellung von einzelnen Individuen nahe des Betrachters, der seine Position in einer ansonsten statischen Szene frei wählen kann. Um dies zu erreichen wird zunächst vorgestellt, wie ausgehend von einfachen 3D-Modellen und Materialien ein physikalisch basiertes Reflexionsmodell parametrisiert werden kann. Grund hierfür ist der oftmals vorhandene umfangreiche Datenbestand, der auf die OpenGL-Materialien oder ähnliche Shader optimiert ist. Anschließend wird gezeigt, wie die Echtzeit-Renderingtechniken Shadow Mapping und Precomputed Radiance Transfer kombiniert werden können, um sowohl exakte hochfrequente direkte Beleuchtung als auch niederfrequentes indirektes Streulicht zu berücksichtigen. Diese Kombination wird an Hand der Pfad-Notation des Monte-Carlo-Path-Tracing eingeführt und begründet.
    Schlagwort(e): ddc:000
    Sprache: Deutsch
    Materialart: masterthesis , doc-type:masterThesis
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  • 117
    Publikationsdatum: 2024-02-09
    Beschreibung: Die hierarchische Organisation von Dateien beherrscht Computersysteme seit vielen Jahren und wird sich vermutlich auch in Zukunft weiterhin durchsetzen. Dennoch stößt diese Verwaltungsmethode in einem klassischen hierarchischen Dateisystem bei dem jährlichen rasanten Zuwachs an neuen Daten an ihre Grenzen, auch wenn Nutzer eine ausgefeilte Verzeichnisstruktur mit einer disziplinierten Namensgebung konsequent auf- und ausbauen. Um den Überblick über die Dateien zu behalten, werden in dieser Arbeit neue Verwaltungsmethoden vorgestellt und in die hierarchische Dateisystemsicht eingebettet. Auf der Basis des hierarchischen Dateisystems bietet ein metadatenbasiertes Dateisystem neben dem hierarchischen Zugriff noch einen flexiblen, assoziativen Zugriff auf Dateien über virtuelle Objekte, indem Suchmethoden in Form einer Anfrage auf in einer Datenbank gespeicherte Index- und Metadaten angewendet werden. Das Ergebnis dieser Abfrage wird mit Hilfe von virtuellen Verzeichnissen und virtuellen Dateien in einer übersichtlichen Form dargestellt, so dass eine Nutzung der hierarchischen Sicht weiterhin intuitiv fortgesetzt wird. Das Datenmanagementsystem ZIBDMS, welches einen verteilten Metadatenkatalog und einen Dateireplikationskatalog beinhaltet, ermöglicht es, die oben genannten Verwaltungsmethoden für die NFS-Schnittstelle, CORBA-Middleware und Web Services transparent zu implementieren. Zudem stellt ZIBDMS weitere neue Dateiverwaltungsmethoden zur Verfügung, die sich in die hierarchische Dateisystemsicht integrieren lassen. Metadaten in Form von Attribut-Wert-Paaren lassen sich als virtuelle Datei darstellen und editieren. Eine Collection bietet die Möglichkeit, Dateien in einem logischen virtuellen Ordner zu organisieren. Mit einem Dependency-Graph lassen sich Dateien zueinander in Relation stellen, so dass eine Linkstruktur zwischen Dateien ausgedrückt werden kann. Das Verweiskonzept eines klassischen hierarchischen Dateisystems wird im ZIBDMS um eine neue Verweisart Weak-Link erweitert, um einen aktualisierbaren, konsistenten und zyklenfreien symbolischen Link anzubieten. In einer hierarchischen Sicht lässt sich durch Verweise ein Baum bilden, in dem eine Navigation und Verweisauflistung möglich sind, was außer ZIBDMS noch kein anderes System bietet.
    Beschreibung: The hierarchical organization of files has dominated computer systems for many years and this will probably not change in the near future. However, with the rapid annual growth of new data this classical hierarchical file system management method reaches its limitations, even when the user consistently sets up and continually expands an elaborated directory structure with well-disciplined naming. This paper introduces new management methods to maintain an overview of all files which can be embedded in the hierarchical file system. A metadata-based file system, which is based on the hierarchical file system, offers, in addition to hierarchical access, a more flexible and associative access to files via virtual objects by providing query capabilities of index- and metadata which are stored in a database. The query results are presented in a clearly-arranged form of virtual directories and virtual files so that the intuitive hierarchical view continues to be maintained. The data management system ZIBDMS, which contains a distributed metadata catalog and a file replication catalog, permits a transparent implementation of these management methods for the NFS interface, CORBA-middleware or web services. Furthermore, ZIBDMS provides other new file management methods that can be integrated into the hierarchical file system view. Metadata in form of attribute-value-pairs can be presented and edited with a virtual file. A Collection makes it possible to organize files in logical virtual folders. Using a Dependency graph, files can be related to each other and expressed through a link structure between these files. In the ZIBDMS the reference concept of a classical hierarchal file system is extended with a new kind of reference called Weak Link in order to provide up-to-date, consistent and cycle-free symbolic links. With the references a tree can be established in a hierarchical view in which navigation and listing of references are possible; this capability is only possible in the ZIBDMS system.
    Schlagwort(e): ddc:000
    Sprache: Deutsch
    Materialart: reportzib , doc-type:preprint
    Format: application/pdf
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  • 118
    Publikationsdatum: 2024-02-09
    Beschreibung: Die hierarchische Organisation von Dateien beherrscht Computersysteme seit vielen Jahren und wird sich vermutlich auch in Zukunft weiterhin durchsetzen. Dennoch stößt diese Verwaltungsmethode in einem klassischen hierarchischen Dateisystem bei dem jährlichen rasanten Zuwachs an neuen Daten an ihre Grenzen, auch wenn Nutzer eine ausgefeilte Verzeichnisstruktur mit einer disziplinierten Namensgebung konsequent auf- und ausbauen. Um den Überblick über die Dateien zu behalten, werden in dieser Arbeit neue Verwaltungsmethoden vorgestellt und in die hierarchische Dateisystemsicht eingebettet. Auf der Basis des hierarchischen Dateisystems bietet ein metadatenbasiertes Dateisystem neben dem hierarchischen Zugriff noch einen flexiblen, assoziativen Zugriff auf Dateien über virtuelle Objekte, indem Suchmethoden in Form einer Anfrage auf in einer Datenbank gespeicherte Index- und Metadaten angewendet werden. Das Ergebnis dieser Abfrage wird mit Hilfe von virtuellen Verzeichnissen und virtuellen Dateien in einer übersichtlichen Form dargestellt, so dass eine Nutzung der hierarchischen Sicht weiterhin intuitiv fortgesetzt wird. Das Datenmanagementsystem ZIBDMS, welches einen verteilten Metadatenkatalog und einen Dateireplikationskatalog beinhaltet, ermöglicht es, die oben genannten Verwaltungsmethoden für die NFS-Schnittstelle, CORBA-Middleware und Web Services transparent zu implementieren. Zudem stellt ZIBDMS weitere neue Dateiverwaltungsmethoden zur Verfügung, die sich in die hierarchische Dateisystemsicht integrieren lassen. Metadaten in Form von Attribut-Wert-Paaren lassen sich als virtuelle Datei darstellen und editieren. Eine Collection bietet die Möglichkeit, Dateien in einem logischen virtuellen Ordner zu organisieren. Mit einem Dependency-Graph lassen sich Dateien zueinander in Relation stellen, so dass eine Linkstruktur zwischen Dateien ausgedrückt werden kann. Das Verweiskonzept eines klassischen hierarchischen Dateisystems wird im ZIBDMS um eine neue Verweisart Weak-Link erweitert, um einen aktualisierbaren, konsistenten und zyklenfreien symbolischen Link anzubieten. In einer hierarchischen Sicht lässt sich durch Verweise ein Baum bilden, in dem eine Navigation und Verweisauflistung möglich sind, was außer ZIBDMS noch kein anderes System bietet.
    Beschreibung: The hierarchical organization of files has dominated computer systems for many years and this will probably not change in the near future. However, with the rapid annual growth of new data this classical hierarchical file system management method reaches its limitations, even when the user consistently sets up and continually expands an elaborated directory structure with well-disciplined naming. This paper introduces new management methods to maintain an overview of all files which can be embedded in the hierarchical file system. A metadata-based file system, which is based on the hierarchical file system, offers, in addition to hierarchical access, a more flexible and associative access to files via virtual objects by providing query capabilities of index- and metadata which are stored in a database. The query results are presented in a clearly-arranged form of virtual directories and virtual files so that the intuitive hierarchical view continues to be maintained. The data management system ZIBDMS, which contains a distributed metadata catalog and a file replication catalog, permits a transparent implementation of these management methods for the NFS interface, CORBA-middleware or web services. Furthermore, ZIBDMS provides other new file management methods that can be integrated into the hierarchical file system view. Metadata in form of attribute-value-pairs can be presented and edited with a virtual file. A Collection makes it possible to organize files in logical virtual folders. Using a Dependency graph, files can be related to each other and expressed through a link structure between these files. In the ZIBDMS the reference concept of a classical hierarchal file system is extended with a new kind of reference called Weak Link in order to provide up-to-date, consistent and cycle-free symbolic links. With the references a tree can be established in a hierarchical view in which navigation and listing of references are possible; this capability is only possible in the ZIBDMS system.
    Schlagwort(e): ddc:000
    Sprache: Deutsch
    Materialart: masterthesis , doc-type:masterThesis
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  • 119
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. vi 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 120
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 49-63 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A molecular model for the complex formed between the jack bean lectin concanavalin A (Con A) and glycopeptides of the complex biantennary class is described. The model was derived using coordinates for Con A determined by x-ray crystalographic refinement techniques, with 1.75-Å resolution data, and coordinates for the glycopeptides obtained from 1H-nmr measurements, using the nuclear Overhauser effect. Previous solution and crystallographic studies provided several constraints on the possible mode of interaction of the lectin and the glycopeptide. Examination of the model suggests that the glycopeptide binding site is defined by four loops on the protein surface made up by amino acid residues: 12-18, 98-102, 205-208, and 226-229. Within these loops, it favorable interactions with high-affinity ligands and tose responsible for the unfavourable interactions with poor ligands.
    Zusätzliches Material: 9 Ill.
    Materialart: Digitale Medien
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  • 121
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Peptide hormones and neurotransmitters are functional amphiphilic substances that deploy their chared and nonpolar substituents as required for traversing aqueous phases en rout to their ultimate transfer into the lipid-rich environment of their membrane-embedded receptors. As a means of determining the role(s)that cellular membrane lipids may play in mediating these events, we describe an experimental approach, using high-resolution 1H-and 13C-nmr spectroscopy, for delineation of the structures of complexes between the (neurotransmitter pentapeptide) enkephalins and micellar and vesicular phospholipid particles. Residue-specific enkephalin interactions with lipid are identified; affinity constants for the hydrophobic component(s) of peptide/lipid association are calculated for enkephalin and several of its analogs; and comparisons with morphine are presented. Finally, based on molecular details obtained from nmr experiments, a model is proposed for the encoutner of a peptide hormone with a phospholipid membrane surface.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
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  • 122
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985) 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 123
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Both (dC-dG)4 and d(CGCATGCG) crystallize in hexagonal lattices and their three-dimensional structure has been solved by x-ray diffraction analysis. Both molecules are found to form Z-DNA, although the fine details of the structure cannot be visualized due to the statistical disordering of the molecules along the c-axis, which is brought about by the symmetry constraints of the space group. This represents the first time in which the unmodified dinucleotide sequences CpAp and TpGp have been found to form Z-DNA in a crystalline lattice.
    Zusätzliches Material: 1 Ill.
    Materialart: Digitale Medien
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  • 124
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 359-377 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Differential melting curves (DMCs) of DNAs pA03 and pBR322 in solutions of different ionic strength (0.02 and 0.2M Na+) were obtained. A previously developed procedure of glyxal fixation of partially denatured DNA molecules at temperatures within the melting range was used to construct electron-microscopic melting maps for pBR322 and pAO3 plasmid DNA and for the replicative form of bacteriophage φX174 DNA, allowing the melting of these DNA molecules to be followed in solutions of low (0.1 × SSC) and high (1 × SSC) ionic strength. In spite of the fact that the melting was at nonequilibrium at the low ionic strength, the melting maps for the two kinds of solutions practically coincided. Experimental data are compared with theoretical calculations based on the Fixman-Freire algorithm. The conclusion is that the melting pattern of these DNAs is, on the whole, correctly described by the theory, although there are appreciable differences between the theoretical and experimental differential melting curves. We have also determined the relation between the melting temperature of a region and its GC content, with allowances made for the boundary conditions of melting in 0.1 × SSC and 1 × SSC solutions, and have analyzed the theoretical shape of peaks of the DMCs.
    Zusätzliches Material: 8 Ill.
    Materialart: Digitale Medien
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  • 125
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 421-423 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
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  • 126
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985) 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 127
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 427-439 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Electrostatic effects are believed to determine the molecular structure and function of macromolecules in many ways. In metallo-based enzymes and in metal-macromolecule interactions in solution, these effects may predominate. In order to tackle metal ion-nucleic acid interactions theoretically, we propose a modification of Debye's distance-dependent dielectric function first proposed more than 50 years ago. This function more closely approximates physical reality at small interatomic separations. Our theory yields a dielectric function that gives reasonable agreement with experimental data in preliminary calculations.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
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  • 128
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: It is suggested that the three-dimensional structure of globular proteins is partly determined by a framework of strengthened hydrogen bonds that involves both ionic side chains and water molecules in addition to the polypeptide backbone. This conclusion follows from a combination of the results of ab initio molecular-orbital computations on small model molecules and high-accuracy x-ray data on the rubredoxin molecule. The computations yield the idea of hydrogen-bonded bridges that are built from tens of atoms, and the experimental information yields the idea that the bridges are assembled into clusters, each of which is built from hundreds of atoms. Some 10 such clusters then form a globular protein.
    Zusätzliches Material: 14 Ill.
    Materialart: Digitale Medien
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  • 129
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 581-581 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 130
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 581-581 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 131
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 157-166 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Monoclonal antibodies to different parts of bacteriorhodopsin were raised to define its topography in the membrane. It is shown that the amino acid residue Glu 194 is a part of an antigenic determinant and should be located on the membrane surface. We found that the removal of the C-terminal 17 amino acid sequence does not affect the efficiency of the proton transport in bacteriorhodopsin. From a combination of proteolysis and secondary structure prediction methods an experimentally testable structural model for bovine rhodopsin is presented. The complete amino acid sequence of the transducin γ-subunit consisting of 69 residues was determined.
    Materialart: Digitale Medien
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  • 132
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 403-419 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Fluorescence and absorbance methods were used to study the interaction of daunomycin with calf-thymus DNA over a wide range of temperatures and NaCl concentrations. van't Hoff analysis provided estimates for the enthalpy of the binding reaction over the NaCl range of 0.05-1.0 M. Daunomycin binding is exothermic over this entire range, and the favorable binding free energy arises primarily from the large, negative enthalpy. Both the enthalpy change and entropy change are strong functions of ionic strength. Possible molecular contributions to the enthalpy and entropy are discussed, leading to the tentative conclusion that hydrogen-bonding interactions at the interacalation site are the primary contributors to the observed thermodynamic parameters. The dependence of the enthalpy on the ionic strength is well beyond the predictions of current polyelectrolyte theory and cannot be fully accounted for. The enthalpy and entropy changes observed compensate one another to produce relatively small free-energy changes over the range of solution conditions studied.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
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  • 133
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Mechanical creep and creep recovery in small shearing deformations have been studied in unligated clots formed with both thrombin and ancrod. In thrombin clots, both A binding sites (which interact with “a” sites to link monomer units within a protofibril) and B sites (which interact with “b” sites to form links between protofibrils) are exposed to enable formation of linkages; in ancrod clots, only the A sites are exposed. Fine clots (with minimal lateral aggregation of protofibrils), coarse clots (with substantial aggregation of fibril bundles), and clots of intermediate coarseness were compared. Fine thrombin clots showed less creep at short times but more creep at long times than coarse or intermediate clots and had more irrecoverable deformation relative to the initial elastic deformation. Ancrod clots had greater irrecoverable deformation than the corresponding thrombin clots, both fine and coarse. The permanent deformation in fine ancrod clots was enormous, corresponding almost to fluid character; the rate of permanent deformation was larger than that in fine thrombin clots by more than two orders of magnitude. For all types of clots, differential measurements of compliance (or its reciprocal, elastic modulus), as well as the applicability of the Boltzmann superposition principle to calculation of creep recovery, showed that the overall density of structure remained constant throughout the mechanical history; i.e., if structural elements were breaking, they were reforming at the same rate in different configurations. The possibility that the weakness of ancrod clots is attributable to partial degradation of α-chains rather than absence of Bb linkages was eliminated by comparisons of clots made with thrombin, ancrod, and ancrod plus thrombin; the last two showed identical partial degradation of α-chains (by gel electrophoresis), but the first and third had essentially identical initial elastic moduli and creep behavior. Two alternative mechanisms for irrecoverable deformation in fine clots are discussed, involving rupture of protofibrils and slippage of twisted segments, respectively.
    Zusätzliches Material: 12 Ill.
    Materialart: Digitale Medien
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  • 134
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 735-745 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Recently, it was suggested that parallel β-sheets have a significant dipole moment, in contrast to antiparallel sheets. Ab initio molecular-orbital (MO) calculations on parallel and antiparallel β-strands of tetra(Gly) show that they have very similar charge distributions. Interaction energies between two and three strands of tetra(Gly), obtained using the direct reaction field Hamiltonian, show that a particular choice of point charges is probably not crucial for calculating interactions within β-sheets, but that it might be for calculating interactions between these sheets and other parts of a protein, in particular, α-helices. The point-charge representation of our MO-SCF results will probably reduce the hazard of introducing artefacts in electrostatic calculations of protein conformational energies, provided the short-range interactions are treated in a more realistic way, i.e., such that intra- and interchain induction effects are included.
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
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  • 135
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The pH and ionic strength dependence of conformation of the COOH-terminal fragment 206-316 (fragment FII) of thermolysin was monitored by far-uv CD and difference absorption measurements. This fragment was shown previously to possess the properties of a protein domain, i.e., able to refold into a stable nativelike structure [Fontana, A., Vita, C. & Chaiken, I. M. (1983) Biopolymers 22, 69-78]. Analysis of the CD spectra in the pH range of 1-12 indicated that near pH 1, the conformation of fragment FII appears to be in an intermediate state (H) between the fully unfolded one (U) [the guanidine hydrochloride (Gdn · HCl)-induced unfolded state] and the nativelike state (N - that attained at neutral pH). Quantitative analysis of secondary structure from CD spectra revealed that state H at 4°C is characterized by some 30% α-helical structure, compared to 47% for state N. The heat- and Gdn · HCl-mediated unfolding transitions of state H were fully reversible and characterized by little cooperativity, which is taken as an indication that state H corresponds to several species possessing different, and low, conformational stabilities. The midpoint transition from state H to N occurs near pH 2.5, implying that the acid transition results from the titration of carboxyl groups of the fragment with anomalously low pK, as would be expected for groups involved in specific salt bridges. Fragment FII at pH 1 (state H) may be induced to exhibit nearly the same degree of helicity of state N simply by increasing the ionic strength of the solution, thus reducing the repulsive interactions between positive charges within the highly charged fragment at pH 1. The results obtained emphasize the role of electrostatic interactions in the folding and stability of fragment FII and suggest a mechanism of folding of the fragment from U to N involving an intermediate state characterized by an assembly of fluctuating α-helices.
    Zusätzliches Material: 9 Ill.
    Materialart: Digitale Medien
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  • 136
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 867-882 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: DNA supercoiling is both an interesting problem from the theoretical point of view and an important phenomenon affecting DNA functions in vivo. Experimentally, however, hardly more than the overall hydrodynamic shape, superhelical density, and enzymic or chemical reactivity of the parameters that are in some way related to DNA secondary and tertiary structure in the superhelical state can be determined. Consequently, it is highly desirable to build up models of DNA supercoiling that, on the one hand, match the above type of global data and, on the other, take advantage of the knowledge about DNA structure at lower levels of complexity, i.e., with linear DNA molecules and its synthetic models. One possible approach, presented here, deals with an extension of Fuller's and Benham's general ideas concerning an elastomechanical model of DNA supercoiling. We extend their model with an algorithm suitable for numerical calculations and construct a fast computer program, ROPASE, that displays the rod shapes as dependent on its elastic properties and applied stress. Development of this program made inevitable a detailed analysis of the input parameters found to be degenerate in the sense that not all of them should be considered variable to generate the whole set of possible solutions of the model. Many calculations were performed using ROPASE to test its properties and the properties of the elastomechanical model. Representative DNA shapes are presented.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
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  • 137
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 905-910 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
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  • 138
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 883-895 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The thermotropic behavior of lipid vesicles prepared from dimyristoylphosphatidylcholine in the presence of cytochrome c oxidase has been studied by highly sensitive differential scanning microcalorimetry. This protein has a remarkable effect on the gel-liquid crystalline transition of dimyristoylphosphatidylcholine. In the presence of cytochrome c oxidase, the thermogram of the lipid vesicles exhibits a second endothermic peak, which is adjacent to the main lipid phase-transition peak and appears at a higher temperature. As the concentration of added protein increases, the two endothermic peaks become further separated, and the transition temperatures and the heats of transition corresponding to both endothermic peaks decrease. A greater decrease in the transition temperature at the lower-temperature peak with added protein suggests that the lower-temperature peak is more perturbed than the higher-temperature peak. The higher-temperature peak is not thermally reversible. Treatment of sample well above the transition temperature results in a reduction of the magnitude of the higher-temperature peak. The lipid-protein interaction contributing to the higher-temperature peak is discussed.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
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  • 139
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: An intercalation model of a complex between DNA and a bleomycin fragment (BLMF), consisting of the bithiazole core and an amide and a protonated amino substituent, is presented. The model, which shows a preference for BLMF with the protonated amine in the minor groove and the acetyl terminal inserted into either the minor and major grooves, respectively, agrees with recently obtained nmr data. The selection of sites I and II, which have the smallest unwinding of the three theoretical intercalation sites, is consistent with the experimental unwinding angle of 12°. The bithiazole moiety stacks between two base pairs of the double helix, while the protonated substituent interacts ionically with the negatively charged regions of the backbone in the minor groove of the DNA. The protonated amine also forms an intramolecular hydrogen bond with the carbonyl oxygen of the amide group on the same substituent. Analysis of drug complexes with different base-pair sequences reveal four energetically defined groups. The relative energy of the dimer duplex complexes of BLMF correlates with bleomycin's observed base-sequence specificity upon cleavage. The most stable intercalation complexes form adjacent to the bases cleaved most readily. This correlation suggests a primary connection between intercalation and cleavage. A model cleavage site based on these preliminary theoretical calculations and the experimental observations is proposed. It consists of an intercalation site in a trimer duplex. Pyrimidine(p)purine sequences are the predominant sites for intercalation, and the base adjacent to the site at the (3′) end is cleaved.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
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  • 140
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Boc-L-Leu-Aib-Pro-Val-Aib-Aib-Glu(OBzl)-Gln-Phl (Boc = t-butyloxycarbonyl, Aib = α-aminoisobutyric acid, Bzl = benzyl, Phl = phenylalaninol), C59H90N10O14, the protected C-terminal nonapeptide with the sequence 12-20 of alamethicin, crystallizes in the orthorhombic space group P212121 with a = 15.666, b = 16.192, c = 26.876 Å, and Z = 4. The molecular conformation is right-handed helical with three α-(5 → 1 hydrogen bonds) and three β-turns (4 → 1 hydrogen bonds). All but two of the hydrogen bonds are significantly longer than the usual value and show bifurcation to some extent. The α/310r-helical nonapeptide molecules are arranged head-to-tail along the a direction. The resulting linear antiparallel chains are linked by a weak intermolecular hydrogen bridge, thus forming a two-dimensional layer structure in the ab plane. The conformation of this nonapeptide is almost identical with that of the corresponding C-terminal part found by x-ray crystallography of the eicosapeptide alamethicin.
    Zusätzliches Material: 8 Ill.
    Materialart: Digitale Medien
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  • 141
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A newly designed host-guest approach is introduced as a experimental tool to explore the relationship between the sequence of peptides and their secondary structure. From the CD spectra of the host-guest peptides studied, a tentative scale for the α-helix potential in 2,2,2-trifluorethanol of guest amino acids is delineated. The conformational preferences are also examined in β-structure supporting media (solid state, CH2Cl2, CH3OH, H2O) using ir-absorption and CD techniques. Scales for the β-forming tendency of guest amino acid residues in the different media are delineated. It is shown that the preferred conformation of the host-guest peptides is a function of the medium, the chain length, and the protecting groups. Given the fact that conformational effects are important in peptide synthesis, the tentative scales may serve as a guideline to predict secondary structures of side-chain-protected or -deprotected peptides in a given solvent, complementing the well-known empirical conformational prediction parameters.
    Zusätzliches Material: 11 Ill.
    Materialart: Digitale Medien
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  • 142
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1107-1111 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 143
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985) 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 144
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1115-1129 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The interaction of CuCl2 with poly(S-carboxymethyl-L-cysteine) (poly[Cys(CH2COOH)]) and poly(S-carboxyethyl-L-cysteine) (poly[Cys(C2H4COOH)]) were studied by absorption spectra and circular dichroism (CD). On mixing CuCl2 with polypeptide solutions, absorption bands appeared at 320-325 nm in both polypeptides, and at 255-260 nm in the case of poly[Cys(CH2COOH)]. A stable bound species was formed in the case of poly[Cys(CH2COOH)], since the apparent molar absorption coefficient of the bound species did not depend on the mixing ratio. From the absorption data, it was inferred that Cu2+ ions were complexed with the side chains, most probably with sulfur atoms and carboxyl groups. Induced optical activities were observed for the two polypeptides. The CD spectra of poly[Cys(CH2COOH)] + CuCl2 gave simpler aspects than those of poly[Cys(C2H4COOH)] + CuCl2.
    Zusätzliches Material: 8 Ill.
    Materialart: Digitale Medien
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  • 145
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The atomic motions from a molecular-dynamics simulation of yeast tRNAPhe are analyzed and compared with those observed in protein simulations. In general, the tRNA motions are of larger amplitude, they are more anisotropic, and they arise from potentials of mean force that are more anharmonic than in the protein case. In both cases, the amplitudes are largest for atoms on the surface of the molecules. On the other hand, the most anisotropic and anharmonic atomic motions are generally found in the interior of the tRNA, while they are found on the surface of the protein. These differences are discussed in terms of the differences in structure between nucleic acids and proteins.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
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  • 146
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985) 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 147
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 947-960 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The purpose of this work was to improve our understanding of quasielastic light scattering from long rigid rods (QL 〉〉 1). For these scatterers, only small angular displacements are required to produce dephasing of the scattering light. This plus the fact that only rods lying perpendicular to Q contribute to the scattered light allow one to simplify the intermediate scattering function to an analytic form. This form is shown to be nonexponential, exhibiting (t)-½ behavior at long delay times. This new scattering function can then be fit to experimental functions using standard methods.
    Zusätzliches Material: 7 Ill.
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  • 148
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1001-1008 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: We report high-resolution Raman spectra obtained from the circularly closed double stranded DNA (Form I) of the plasmid pBR322 and from its corresponding linear form (Form III). Comparison of the Raman spectra of the two forms demonstrates that, at a superhelical density (σ) of -0.069, which is of the same order as those found for most naturally occurring circularly closed DNAs, no major structural transitions occur under the influence of supercoiling. It is shown that at least 98% of all bases are fully basepaired, and that the conformation of the sugar-phosphate backbone is essentially identical to that of linear DNA. Thus, the structural influence of supercoiling, under these conditions, is confined to minor stretches of the plasmid DNA.
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
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  • 149
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1075-1087 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The force field established for guanine is applied here to guanine-containing biopolymers by considering the model compound 9-methylguanine, in which the methyl group is taken as a dynamic unit whose mass is concentrated on the carbon. In-plane normal-mode frequencies for this model compound and its N-deuterated analog are calculated. Band frequencies observed for guanine residue in Raman biopolymer spectra, such as those for DNA, RNA, or poly(G), are associated with calculated modes having similar wavelengths. They are discussed by taking into account observed and calculated D, 15N, and 18O isotopic shifts. The atomic displacements for the normal modes corresponding to the principal bands are illustrated and a number of assignments proposed.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
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  • 150
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 935-945 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A comparative study has been made using molecular mechanics of the ring entity of the active enkephalin analogs, Tyr-cyclo(-Nω-D-XXX-Gly-Phe-Leu-), where XXX is variously A2pr, A2bu, and Orn. Several conformations are favored for all three, and the lower-energy models are compatible with a Gly3-Phe4 bend in the active form of enkephalin. Some difficulties in assuming standard geometries in conformational surveys are illustrated.
    Zusätzliches Material: 1 Ill.
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  • 151
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 961-978 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The x-ray structure of Boc-L-Ala-Aib-Ala-Aib-Ala-Glu(OBzl)-Ala-Aib-Ala-Aib-Ala-OMe(I) represents the first α-helix determined by direct methods. This undecapeptide is a model of the N-terminus of alamethicin, and it exhibits voltage-dependent pores in bilayer membranes at a higher voltage and concentration than alamethicin. The molecule crystallizes in the monoclinic space group P21 with a = 10.602(1), b = 23.884(3), c = 13.622(1) Å, β = 95.61(6)°, and Z = 2. It adopts a right-handed α-helical conformation in the solid state with intramolecular 5 → 1 hydrogen bonds. An additional intramolecular hydrogen bond is bifurcated, forming a stronger 4 → 1 interaction (i.e., a β-turn III) and a weaker 5 → 1 interaction, thus prolonging the α-helical part up to 9 residues. The α-helix radius of 2.1 Å, the height per residue (distance Ni … Ni + 4) of 1.53 Å, the resulting length of the α-helical part of 13.8 Å (9 residues) resp. 15.3 Å (10 residues), the van der Waals radius (4.7 Å), and the minimal diameter of pores formed by aggregation of 3-10 α-helices were calculated omitting the Glu(OBzl) side chain. In the crystal, the α-helices are linked head to tail via two hydrogen bridges forming continuous chains. Adjacent helices are oriented in antiparallel with their helix axes and have only van der Waals contacts.
    Zusätzliches Material: 8 Ill.
    Materialart: Digitale Medien
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  • 152
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1009-1022 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Time-resolved fluorescence polarization anisotropy measurements were performed on two fractionated samples of duplex poly(dGdC) containing 230 (+40, -30) base pairs (bp) and 590 ± 40 bp. Deconvolution using the intermediate zone formula for the twisting correlation functions (which is not valid for such short DNAs) yields apparent torsion constants for these two samples that are disparate and, in any case, too low. By similarly deconvoluting simulated data constructed from the correct twisting correlation functions, it can be inferred that these two samples actually exhibit the same torsion constant, α = (4.0 ± 0.4) × 10-12 dyn cm. Within the experimental uncertainties, this value is the same as that reported previously from this laboratory for linear φ29 and linearized M13mp7 DNAs. The 590-bp sample exhibited a peculiar evolution of its apparent torsional rigidity from a very high initial value, \documentclass{article}\pagestyle{empty}\begin{document}$ \hat \alpha $\end{document} = (11 ± 1) × 10-12 dyn cm, to a normal value over a period of several months, during which time many very small fragments appeared to be dissociated from, or annealed out, of the predominant high-molecular-weight species. Possible interpretations of these observations are discussed.
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
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  • 153
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The conformation and internal dynamics of supercoiled pUC 8 DNA (2717 bp) are examined by dynamic light scattering, and the magnitude and uniformity of its torsional rigidity are determined using time-resolved fluorescence polarization anisotropy of intercalated ethidium dye. Neither measurement gives any indication of an appreciably reduced bending or twisting rigidity, or anomalously rapid internal motions. For 31P, in supercoiled pUC 8, we measure T2 = (2.0 ± 0.5) × 10-3 s. This lies within the range of present theoretical estimates obtained using normal rigidities. The proton linewidths observed for pUC 8 and pBR322 (4363 bp) DNAs are within a factor of 2-3 of those similarly estimated assuming ordinary rigidities.According to Bendel, Laub and James [(1982) J. Am. Chem. Soc. 104, 6748-6754], supercoiled pIns36 DNA (7200 bp) exhibits an astonishingly long T2 = 1.17 s for 31P, a slowest rotational relaxation time, τ = 5 × 10-9 s, and an enormously reduced bending rigidity. Serious questions raised by these findings are examined here. The 5 × 10-9 s slowest rotational relaxation time is shown to be physically inadmissible.The nmr relaxation theory developed previously by Allison, Shibata, Wilcoxon, and Schurr [(1982) Biopolymers 21, 729-762], is modified to incorporate new results for deformable filaments, which directly introduce the highly nonexponential tumbling correlation function for reorientation of the local helix axis. Essential requirements for a complete calculation of R2, including estimation of the tumbling correlation function and evaluation of the still unknown DIP/CSA cross-term, are described in detail. Slow coil-deformation modes analogous to the Rouse-Zimm modes of linear DNAs are shown to make an important, if not dominant, contribution to the R2 relaxation rate. Geometrical parameters in the theory are chosen to provide good agreement with literature data for 600-bp linear DNA. Using this theory and an informed guess for the tumbling correlation function, we find that the 31P-nmr relaxation data of Bendel et al., if correct, necessarily impose on their DNA one or more extreme properties, such as enormously reduced bending or twisting rigidities. In contrast, the same theory yields reasonable agreement with the T2 reported here for 31P in supercoiled pUC 8 DNA when its rigidities are assumed to be quite ordinary.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
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  • 154
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1131-1146 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The aggregation behavior of the chemotactic peptide analogs, Formyl-Met-Leu-Phe-OMe (1) and Formyl-Met-Aib-Phe-OMe (2), has been studied in chloroform and dimethylsulfoxide over the concentration range of 0.2-110 mM by 1H-nmr spectroscopy. Both peptides associate in CDCl3 at concentrations ≥ 2 mM, while there is no evidence for aggregation in (CD3)2SO. Analog 1 adopts an extended conformation in both solvents favoring association to form β-sheet structures. A folded, γ-turn conformation involving a 3 → 1 hydrogen bond between Met CO and Phe NH is supported by 1H-, 13C-nmr, and ir studies of analog 2. The influence of backbone conformation on the ease of peptide aggregation is demonstrated by ir studies in CHCl3 and CD studies in dioxane.
    Zusätzliches Material: 11 Ill.
    Materialart: Digitale Medien
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  • 155
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1169-1188 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A 24-ps molecular-dynamics simulation of motions in yeast tRNAPhe has been completed. The overall structure of the molecule is well preserved, for the motions represent fluctuations about an average structure that is very much like the crystallographic structure. The four helical stems remain intact, the structures of the loop regions do not deteriorate, and even the base stacking in the single-stranded amino acid acceptor terminus is maintained. With two exceptions, none of the sugar puckers is significantly changed. The unconstrained floppy motions of base A76 are responsible for the repuckering of ribose 76. The other sugar that repuckers is ribose, 46, and this is the result of a very small structural change in the center of the molecule that is also responsible for the breakage of one tertiary hydrogen bond. This change in local structure does not seriously distort the base-stacking and intercalation patterns where the variable loop and the D-stem interact.
    Zusätzliches Material: 10 Ill.
    Materialart: Digitale Medien
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  • 156
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1233-1246 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The persistence length and effective long-range bending rigidity are derived for a discrete model of an anisotropically bending filament and shown to be independent of the torsional rigidity. The twisting persistence length is found to be independent of the anisotropic bending rigidity. Other statistical properties are briefly discussed, including the dependence of tangent vector projections on contour length. The dependence of a tensor contraction on contour length is derived for an isotropically bending filament with no equilibrium twist.
    Materialart: Digitale Medien
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  • 157
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1257-1263 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Vibrational CD (VCD) and ir absorption data are reported for a series of films of Boc-(L-Ala)n-OMe homo-oligopeptides (n = 3-7) in the amide I and A regions. The data evidenced a sharp change between n = 3 and n = 4, which parallels the onset of β-structure formation, and another between n = 5 and n = 6, which parallels the full development of β-structure. This represents the first report of the application of VCD to oligopeptide conformation. The data resembled earlier reported film VCD studies of higher-molecular-weight polypeptides of known β-structure.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
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  • 158
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1271-1291 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Conformational-energy calculations have been carried out in order to determine favorable packing arrangements within a group of α-helices. The influence of side chains and of the number of interacting α-helices on the mode of packing was analyzed. In this work, our earlier methods for computing the packing energy of a pair of α-helices [Chou, K.-C., Némethy, G. & Scheraga, H. A. (1984) J. Am. Chem. Soc. 106, 3161-3170] have been extended to treat the interactions among several helices. Also, new algorithms allow the matching of standard peptide geometry to x-ray coordinates of helical complexes and the analysis of interrelations between several helices. As a specific test case, the packing of three neighboring α-helices, viz., the A, G, and H helices of sperm whale myoglobin, was considered. Minimum-energy arrangements were computed for the separate A-H and the G-H α-helix pairs as well as for the A-G-H three-helix complex. For the packing of the nearly antiparallel G and H α-helices, the same optimal structure was obtained in two- and three-helix complexes, indicating that a single packing arrangement is specifically favored by interhelix interactions. For the pair of nearly perpendicular A and H α-helices, interactions are less specific, so that there is no unique optimal structure in the two-helix complex; in the three-helix complex, however, a specific mode of packing is favored even for the A-H pair. This result indicates that the presence of other nearby α-helices can influence the packing of a given α-helix pair. The computed arrangement of the A-G-H complex is very close to that of the crystallographically determined structure. These results can be used to make deductions about the likely sequence of events in protein folding, where, in this particular case, it appears that the G-H helix pair may form first and then induce proper orientation of the A helix.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
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  • 159
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1337-1363 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Quantum-mechanical equations are derived that are particularly well suited to actual computations of the CD for helical polymers. They make use of cyclic boundary conditions and helical symmetry, so that only two matrices with a size equal to the number of transitions considered need be diagonalized. The final equations are expressed directly in terms of monomer properties and helical parameters to invite the same input as earlier calculations, and are given as a rotational strength times a shape function for ease of comparison with the earlier work. The shape of the helix term is expressed as a derivative with respect to ω and depends on the distance between monomers along the helix axis. Other terms involving two electric transition dipoles depend on the distance from the helix axis to the transition center. These equations are directly comparable to the classical equations derived for cyclic boundary conditions and helical symmetry. We present an outline of the derivation and enough intermediate steps to clarify how the equations arise.
    Zusätzliches Material: 2 Ill.
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  • 160
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1385-1385 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 1 Ill.
    Materialart: Digitale Medien
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  • 161
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1479-1491 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The Raman and ir spectra of α-helical poly(L-glutamic acid) have been assigned on the basis of a normal mode calculation for this structure. The force field was based on our previously refined main-chain force constants for α-poly(L-alanine) and side-chain force constants for β-calcium-poly(L-glutamate). Despite the identical backbone α-helical structures, significantly different frequencies are calculated, and observed, in the amide III and backbone stretch regions of α-poly(L-glutamic acid), as compared with α-poly(L-alanine). This clearly demonstrates the influence of side-chain structure on mainchain vibrational modes.
    Zusätzliches Material: 2 Ill.
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  • 162
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1501-1514 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The quasielastic light scattering method was used to study the ionic strength dependence of the mutual diffusion coefficient of sodium polystyrene sulfonate (NaPSS) as a function of NaCl and CaCl2 concentrations. The results indicate a splitting in the relaxation times that depends on the ratio Cp/Cs, where Cp and Cs are the polyion and added salt concentrations. A universal relationship taking into account Manning's theory of condensation and the Debye screening due to the added salt is proposed to characterize the fast-slow relaxation time transition.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
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  • 163
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
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  • 164
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1573-1593 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A theory of the electrophoresis of DNA through gels with large interfiber spacing, such as dilute agarose, is presented. We assume that the DNA molecule moves along its axis through a “tube” in a neutral gel under the influence of the electric field. The tube is random except for possible bias due to the effects of the field. When the field is small, we easily recover the inverse-length dependence of the mobility found previously by de Gennes and by Doi and Edwards. At higher fields, a new effect appears; the tube becomes oriented because the field biases the direction of the leading end of the chain as it moves to form an extension of the tube. This leads to an increase of the mobility with increasing field by adding a field-dependent but length-independent term to the mobility expression. In agreement with experiment, we find that the field effect can be important at fields as low as 1 V/cm and that the effect can seriously decrease the sensitivity of the mobility to chain length. We also examine the fluctuation of the migration distance, the degree of orientation induced by the field, and the transient effects occurring when the feld direction is rotated by a right angle.
    Zusätzliches Material: 3 Ill.
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  • 165
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985) 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 166
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The confortmational behavior of the cholecystokinin-related fragments CCK4, CCK5, and CCK6 as determined by 1H-nmr spectroscopy in DMSO-d6 and water and fluorescence-transfer measurements in aqueous medium are greatly dependent on the ionization states of these peptides. Under netral conditions, the backbones of CCK5 and CCK6 preferentially adopted folded forms with a β-turn including the four residues Gly-Trp-Met-Asp, probably stabilized by a hydrogen bond between the CO of Gly and the NH of Phe. In these structures, possible induced by an ionic interaction between the carboxylic group of Asp32 and the NH3+ group of the N-terminal amino acid, the lateral chains of the various residues are quite distant from each other (15-16 Å). Under acidic conditions, extended structures without interactions between side chains predominate for CCK5 and CCK6, while for CCK4, a conformational change drawing the Trp and Phe side chains in close proximity was shown by fluorescence. The conformations observed in aqueous medium at physiological pH are discussed in relation to the biological activity of these peptides.
    Zusätzliches Material: 6 Ill.
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  • 167
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1647-1662 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Thermally induced helix-coil transitions of myosin rod, light meromyosin, and tropomyosin were studied by optical rotatory dispersion (ORD). Fractional helicity was calculated from both the Moffitt-Yang parameter, b0, and the corrected mean residue rotation [m′] at 231.4 nm. Between 3 and 30°C, [m′] increases linearly with a slope of 59/°C, whereas b0 is virtually constant, indicating apparently different thermal melting behavior. Poly(L-lysine) and poly(L-glutamic acid) in their helical forms and myoglobin also show a nearly linear temperature dependence of [m′]231.4. Muscle proteins in 6M guanidine hydrochloride and the random-coil forms of the homopolymers exhibit temperature-dependent values of [m′]231.4 and b0. We conclude from these observations that ORD properties of both α-helices and random-coil polypeptides have significant intrinsic temperature dependencies. A new method of estimating fractional helicity as a function of temperature is proposed.
    Zusätzliches Material: 10 Ill.
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  • 168
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
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  • 169
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 2035-2040 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
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  • 170
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The conformation of phenylacetyl-D-alanyl-D-alanine in the crystalline state was characterized by Fourier-transform ir and Raman spectroscopy and was unambiguously solved by x-ray single-crystal determination. In the crystalline state, the molecule adopts a partially folded conformation quite similar to that of another cell wall peptide, acetyl-D-alanyl-D-alanine [Benedetti et al. (1981) J. Biol. Chem. 256, 9229-9234], although the crystal structure is stabilized by a quite different intermolecular hydrogen-bond pattern. No significant deviation from the usual trans-planar peptide group geometry was detected. The conformations accessible in the noncrystalline state were investigated by ir measurements in solution and conformational energy calculations. The theoretical study revealed that the peptide is a highly flexible molecule, since 55 minima were detected, within 3 kcal/mol, including the conformation found in the single crystal. The ir data for phenylacetyl-D-alanyl-D-alanine in different solvents were in accordance with virtually extended conformations, with some indication for weak, intramolecularly hydrogen-bonded C5-rings. These conformational data obtained for the cell wall peptide analog are compared with those known for penicillin G in the crystalline state.
    Zusätzliches Material: 7 Ill.
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  • 171
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1863-1879 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Molecular mechanical calculations were done on complexes of ethidium cation with various base-paired deoxydinucleoside monophosphates [(ApT)2, (TpA)2, (A2 · T2), (GpC)2, (CpG)2, and (G2 · C2)] and deoxyhexanucleoside pentaphosphates [(ATATAT)2, (TATATA)2, (A6 · T6), (GCGCGC)2, (CGCGCG)2, and G6 · C6]. Relative binding energies, sequence preferences, and conformational aspects of the intercalation complexes were studied. The most detailed models used (an all-atom force field) gave results in good agreement with previous calculations and experimental work. Less-sophisticated models did not perform as well.
    Zusätzliches Material: 5 Ill.
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  • 172
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1931-1940 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Transient photodichroism (TPD) data of Wang, Hogan and Austin [(1982) Proc. Natl. Acad. Sci. USA 79, 5896-5900] for methylene blue intercalated in nucleosomal DNA are reanalyzed using correct expressions for the twisting correlation functions of short DNAs. The data are found to rule out several models, including one in which the helix axis is constrained to girdle the equator of the sphere (representing a core particle) but the DNA is everywhere able to undergo twisting deformations and/or spinning around its local helix axis. However, when the ends of the DNA are rigidly clamped (against twisting/spinning) to the sphere, the same model gives an excellent fit to the data with suitable choices of parameters. From these and other observations, it is concluded that nucleosomal DNA must be rigidly clamped to the core particle at one or more points, although it is free to twist at most sites of binding of the dye. Moreover, if the dye is actually bound between two clamped points, then the torsional rigidity of DNA in the nucleosome is at least 2.5 times smaller than that of an ordinary linear DNA.
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
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  • 173
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 1 Ill.
    Materialart: Digitale Medien
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  • 174
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1881-1897 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The configurational properties of an isotropically bendable wormlike chain have been investigated using a Monte Carlo approach. In particular, radial distributions for end-to-end separation, ring closure probabilities, and the angular correlation of the two ends of the chain have all been determined as a function of the contour length of the chain. The results of this analysis, when applied to the data of Shore et al. [(1981) Proc. Natl. Acad. Sci. USA 78, 4833-4837] for the length dependence of ring closure for doublehelical DNA, yields a value for the persistence length of DNA in remarkable agreement with earlier hydrodynamic studies.
    Zusätzliches Material: 10 Ill.
    Materialart: Digitale Medien
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  • 175
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1909-1930 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Optical anisotropy data spanning a very wide time range are analyzed using a recently developed theory for filamentous macromolecules that can bend, twist, and also admit overdamped local libration (or wobble) of the chromophore. A rapid relaxation in the fluorescence polarization anisotropy (FPA) near 10-10 s is fitted well by superimposing isotropic wobble of the chromophore (7° rms polar and azimuthal amplitude) on the long-wavelength twisting and bending motions that characterize the relaxation at longer times but not by the latter alone. Moreover, the decay of the FPA from 0.5 to 150 ns cannot be satisfactorily fitted by chromophore wobble in an otherwise rigid DNA and must be assigned primarily to twisting, as noted previously.Data from 26 ns to 20 μs for 600 base-pair DNA are accurately fitted with only a single adjustable scaling factor when the tumbling correlation function is taken to be the empirical electric birefringence decay function of Elias and Eden. The Barkley-Zimm (BZ) tumbling correlation for very long filaments appears to decay too rapidly and results in significant overestimation of the depolarization for t ≤ 300 ns. In the range of the FPA experiments (t ≥ 150 ns), equally good fits with equally uniform torsion constants are obtained for long DNAs, whether one assumes the BZ tumbling correlation function or neglects tumbling entirely, but the best-fit torsion constant (actually the product of the torsion constant and friction factor) is increased by the factor 1.9 when the BZ result is used with a persistence length of a = 500 Å. The BZ bending theory is compared with other experimental data, and also with a simulation at very short times with mixed results. Present uncertainties regarding the tumbling dynamics and the friction factor for azimuthal rotation allow the torsion constant to be as much as 3.8 times larger than the initial estimate of Thomas et al. Apparent torsion constants obtained from relative ligase kinetics measurements are also briefly discussed.
    Zusätzliches Material: 6 Ill.
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  • 176
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 1981-1993 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Electric-field pulses of e.g. 20 kV/cm and 100 μs induce a strong decrease in the scattered light intensity of DNA condensed by spermine. Analysis of this effect demonstrates that the decrease of the scattered light intensity results from decondensation of DNA. The decondensation reaction requires an electric-field strength exceeding a threshold value. Complete decondensation can be achieved at field strength that are only slightly higher than the threshold value. The decondensation process is strongly accelerated at high electric-field strengths. At 30 kV/cm, the decondensation time constant is ∼8 μs, corresponding to an acceleation factor of 105 relative to the field-free decondensation reaction. The dependence of the time constants on the electric-field strength suggests that the field-induced decondensation is due to a dissociation field effect. The condensation process observed after electric-field pulses at low concentrations of DNA and spermine shows a characteristic induction period, which strongly depends on the spermine concentration. This induction period reflects the time required for the binding of spermine to DNA, until the degree of binding is sufficiently high for the condensation reaction. The fast dissociation of condensed DNA by electric-field pulses together with a relatively long lifetime of the free DNA results in a reaction cycle resembling a hysteresis loop.
    Zusätzliches Material: 5 Ill.
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  • 177
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985) 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 178
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 2041-2043 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
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  • 179
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 2057-2085 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A theory of adsorption of a polypetide chain capable of undergoing the coil-β-structure transition on a solid planar surface has been developed. The mutual influence of two order-disorder phase transitions, a conformational and an adsorption transition, was investigated. Various types of adsorption transitions are possible, depending on the initial conformational state (partly or completely β-structured) and the selectivity of adsorption: (a) the second-order phase transition, in which the chain is partly structured, both in adsorbed and desorbed states; and (b) the first-order phase transition, in which the chain exhibits a regular β-structure, at least on one side of the adsorption transition boundary. The chain bonding to the surface alters the degree of β-structure, both in the case of selective and nonselective adsorption (similar to the adsorption of the chains with other types of secondary structure). We show that the slope of the adsorption curves for partly β-structural chains increases as a result of an increase in the degree of β-structuring, and this effect is even stronger than the analogous effect of β-structuring.
    Zusätzliches Material: 10 Ill.
    Materialart: Digitale Medien
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  • 180
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Various copolypeptides were prepared by benzylamine or tertiary amine-initiated copolymerizations of alanine-N-carboxyanhydride (Ala-NCA) and valine-N-carboxyanhydride (Val-NCA). The number-average molecular weights of these copolypeptides were detemined by 1H-nmr spectroscopic end-group analyses and viscosity measurements. The sequences were characterized by 15N-nmr spectra in solution, and the average lengths of the homogeneous blocks were determined from the signal intensities. The 50.3-and 75.4-MHz 13C-nmr CP/MAS spectra of the solid copolypeptides are not sensitive to sequence effects, but allow qualitative and quantitative analyses of the secondary structures. In contrast to other methods, the 13C-nmr spectra allow determination of the extent to which individual amino acids are incorporated into β-sheet or α-helix phases. Depending on primary structure and molecular weight, the secondary structure of (Ala/Val) copolypeptides may vary significantly. Both monomer units may be predominantly helical or predominantly β-sheet structure, or the Val units may prefer the β-sheet structure with most Ala-units forming β-helices. However, these secondary structures are more or less thermodynamically unstable and revert to the stable conformations on reprecipitation from trifluoroacetic acid/water.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
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  • 181
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 2231-2242 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The intramolecular formation of multiple clusters of interacting helices has been characterized in a homopolymer. The configuration partition function permits the formation of clusters in which the number of interacting helices may be as large as the greatest integer in n/2, where n denotes the number of amino acid residues in the chain. The theoretical formulation has its origin in a recent [Mattice, W. L. & Scheraga, H. A. (1984) Biopolymers 23, 1701-1724], tractable matrix expression for the configuration partition function for intramolecular antiparallel β-sheet formation. Reassignment of the expression for one of the n(n+3)/2 elements in the sparse statistical weight matrix, along with a simple change in notation, converts that treatment into a matrix formulation of the configuration partition function for a chain containing multiple clusters of interacting antiparallel helices. The five statistical weights used are δ, fl, w, and the Zimm-Bragg σ and s. Each tight bend that connects two interacting helices contributes a factor of δ, fl is used in the weight for larger loops between interacting helices, and w arises from helix-helix interaction. The influence of the helix-helix interaction is well illustrated by two helix-coil transitions in a chain with n = 156 and σ = 0.001. In the absence of helix-helix interaction, the transition occurs by the nucleation and subsequent elongation of a small number of helices. When helix-helix interaction is attractive, the transition can occur by a different mechanism. Formation of a single pair of interacting helices is followed by addition of new helices to the initial cluster. In the latter process, individual helices experience relatively little growth after they are formed.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
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  • 182
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 2279-2299 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The low-energy conformations accessible to dCpdG modified at guanine N2 via trans epoxide opening by (+) and (-) 7β,8α-dihydroxy-9α,10α-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene (anti-BPDE) have been delineated by minimized semiempirical potential-energy calculations with all torsion angles flexible. Nearly 4000 trials were made, representing a fairly thorough investigation of the conformation space of the adducts. Carcinogen-base stacked states and base-base stacked conformers were found in the low-energy regions of both enantiomers. Many ω′, ω, ψ domains accommodate the two types of conformations, with B-like backbones among the most preferred states in each case. The conformational differences between the two enantiomers on the dimer level reside in subtle distinctions in orientation of the carcinogen-base linkage.
    Zusätzliches Material: 10 Ill.
    Materialart: Digitale Medien
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  • 183
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 2345-2356 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The temperature dependence of the composition of coacervate and equilibrium phases is examined for the polypentapeptide of elastin (L-Val1-L-Pro2-Gly3-L-Val4-Gly5)n in water. This provides for the development of a phase diagram. CD data is presented that provides information on associated polypeptide structure changes that, when added to previous CD, nmr, and dielectric relaxation data at lower water composition, allow construction of a phase-structure diagram of the polypentapeptide-water system. The molecular-weight dependence of phase change (coacervation) is included. The volume-composition studies as a function of temperature also provide temperature coefficients of expansion and of composition important in analyzing the mechanism of elasticity.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
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  • 184
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The proton magnetic resonance spectra of o-nitrophenylthio-tetra- and hexa-γ-benzyl-L-glutamate ethylamides have been measured at different concentrations in CDCl3 and CD22C1. The NH and α-CH resonances of the tetrapeptide show downfield shifts with increasing concentration, accompanying disappearance of their fine structure and line broadening. The apparent feature of chemical shifts against concentration is sigmoidal, and it can be interpreted by assuming the presence of a step or more of association-dissociation equilibria of tetrapeptide. With increasing concentration, small aggregates are formed by intermolecular hydrogen bonding, the size of which is not sufficiently large to exhibit critical micelle concentrations. In contrast to the tetrapeptide, the hexapeptide has constant chemical shifts of the NH and α-CH resonances, independent of concentration, which implies that only the unassociated molecules show observable sharp resonances. In the hexapeptide, the phenyl CH and benzyl CH2 groups of the side chains exhibit new resonances above certain critical concentrations, indicating the restriction of rotational freedom of the side chains in the aggregated states.
    Zusätzliches Material: 10 Ill.
    Materialart: Digitale Medien
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  • 185
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: We describe the solution (1H-nmr) and calculated conformations of the opiatelike peptide dermorphin and the analysis of structure-conformation-activity relationships in the series [Alan]-dermorphin. We used 1H-nmr spectroscopy to study dermorphin and its analogs [Alan]-dermorphin (with n = 1, 2…7) dissolved in dimethylsufoxide. Conformational energy calculations using semiempirical partitioned energy function methods were then carried out on dermorphin and its [L-Ala2]-analog. Agreement between calculation and experiment is satisfying, both suggesting predominance of a type I β-turn around Pro6-Ser7 at the C-terminus and of an extended structure in the central sequence Phe3-Gly4-Tyr5. Detailed analysis by step-by-step substitutions with Ala indicates that intraresidue interactions dominate over medium-range interactions (between adjacent residues), although the latter may also have a noticeable influence in shaping conformations. As a general feature, the effects of substitutions on the arrangement of side chains are always larger on the succeeding residue than on the preceding residue. Almost all the variations of activity observed in the analogs can be explained from conformational changes occurring in the aromatic side chains of the biologically important Tyr1, Phe3, and Tyr5 on substitutions effected on adjacent residues (fluctuations via medium-range interactions).
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
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  • 186
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 2449-2468 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A detailed conformational analysis of polyoxyethylene-bound N-t-butyloxycarbonyl homo-oligo-L-glutamates up to the heptamer was carried out in CDCl3 solution using high-resolution 1H-nmr spectroscopy. Unequivocal assignments of resolved backbone NH and α-CH resonances were obtained with specifically deuterated oligomers. From nmr measurements, chemical-shift dependencies with respect to temperature and solvent, and the line-broadening effects of free radicals allowed the determination of hydrogen-bonded residues. The nmr data, along with model-building studies, suggest that seven-membered rings may exist in the N-terminal portion of these peptides. Replacement of the N-t-butyloxycarbonyl group by an acetyl or pyroglutamyl residue gave aggregated peptides, pointing to a special contribution by the Boc group to hydrogen bonding and solubility in CDCl3.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
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  • 187
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 2495-2510 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A detailed conformational analysis of homo-oligo-L-glutamates was carried out in aqueous solution using 1H-nmr spectroscopy. Three series of side-chain protected (α-OMe) glutamate oligopeptides, attached to polyoxyethylene (POE) to enhance their solubility, were synthesized. The effect of the N-terminal blocking groups - Boc, Ac, and pGlu - on the conformations of these peptides in water is discussed. Unequivocal assignments were obtained for all amide NH resonances through use of selectively α-deuterated oligo-glutamates. Analysis of vicinal coupling constants, temperature dependence of NH chemical shifts, transfer of saturation experiments, and titration studies with a denaturing solvent (DMSO) were used to investigate the peptide structure. These data suggest that the Glu1 and Glu2 NH protons of each heptamer are solvent exposed, while the NH protons of interior glutamate residues chain are solvent sequestered. The nmr data are consistent with the onset of helical structure at the heptamer of each series in aqueous solution. The POE-peptides with pGlu at the N-terminus showed considerably reduced stability of structure than those with the Boc or acetyl blocking groups. Peptide conformations and their stability in water are compared to those in other solvents.
    Zusätzliches Material: 5 Ill.
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  • 188
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemie in unserer Zeit 19 (1985), S. 31-31 
    ISSN: 0009-2851
    Schlagwort(e): Chemistry ; Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 189
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemie in unserer Zeit 19 (1985), S. 69-76 
    ISSN: 0009-2851
    Schlagwort(e): Chemistry ; Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 9 Ill.
    Materialart: Digitale Medien
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  • 190
    ISSN: 0009-2851
    Schlagwort(e): Chemistry ; Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 191
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemie in unserer Zeit 19 (1985), S. 86-94 
    ISSN: 0009-2851
    Schlagwort(e): Chemistry ; Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 20 Ill.
    Materialart: Digitale Medien
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  • 192
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemie in unserer Zeit 19 (1985), S. 125-136 
    ISSN: 0009-2851
    Schlagwort(e): Chemistry ; Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 14 Ill.
    Materialart: Digitale Medien
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  • 193
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemie in unserer Zeit 19 (1985), S. A46 
    ISSN: 0009-2851
    Schlagwort(e): Chemistry ; Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 194
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemie in unserer Zeit 19 (1985), S. 156-159 
    ISSN: 0009-2851
    Schlagwort(e): Chemistry ; Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 195
    ISSN: 0009-2851
    Schlagwort(e): Chemistry ; Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 196
    ISSN: 0009-2851
    Schlagwort(e): Chemistry ; Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 197
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemie in unserer Zeit 19 (1985), S. 209-209 
    ISSN: 0009-2851
    Schlagwort(e): Chemistry ; Chemistry
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 198
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Two studies are diescribed in which synthetic peptides have been designed and examined to address biochemical problems inherent in hydorphobic environments: (1) The cyclic hexapeptide cyclo-(D-Tyr(Bzl)-Gly-Ile-Leu-Gln-Pro) was synthesized as a model of an interior β-turn from the protein lysozyme. Conformational analysis by proton nmr methods, including two-dimensional nulcear Overhauser effect spectroscopy, revealed that the model peptide adopts one conformation in chloroform/dimethyl sulfoxide (98.2) and tetramethylene sulfone solutions. The conformation consists of two linked β-turns, one with the same sequence (Gly-Ile-Leu-Gln) and geometry (Type I) as the protein turn. (2) Major portions of the λ-receptor protein (LamB) signal sequences from E. coli wildtype and mutant strains have been synthesized. The conformational properties and membrane interactions of these synthetic signal peptides correlate with the in vivo export function of the wild type and mutant strains. Functional signal sequences are significantly richer in α-helix in aaqueous trifluoroethanol, lysolecithin, or sodium do-decyl sulfate solution than is a nonfunctional mutant signal sequence.
    Zusätzliches Material: 14 Ill.
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  • 199
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 199-210 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Soluble fibronectin binds specifically and saturably to surfaces of substrate-attached cells. Bound fibronection is then transferred to the deoxycholate-insoluble extracellular matrix. During transfer, fibronectin is translocated from the cell surface and organized into disulfide-bonded multimers by disulfide exchange. Binding is mediated by disulfidelooped, type I homology “fingers” in the amino-terminal region. Exchange involves disulfides in the same amino-terminal region.
    Zusätzliches Material: 1 Ill.
    Materialart: Digitale Medien
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  • 200
    Digitale Medien
    Digitale Medien
    New York : Wiley-Blackwell
    Biopolymers 24 (1985), S. 289-300 
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The double-stranded helical complexes of poly(dG-dC) and of poly(dG-m5dC) are shown to convert from B- to Z-DNA-type conformations at moderate or low ionic strengths, lower for the 5-methyl than for the non-methyl species, in a highly cooperative temperature-dependent equilibrium. In the presence of low concentrations of divalent ion, e.g., Mg2+, the temperature at which the B → Z transition occurs is virtually independent of the salt concentration and the B-conformation is favored at lower temperature, while the Z-conformation is favored at higher temperature. Since the Debye-Hückel screening parameter changes rapidly with ionic strength in this region, electrostatic interaction with the free ions appears to be only a small factor in the forces that promote the transition; the temperature dependence must derive principally from effects on the solvent. The temperature dependence at high salt concentrations is also reported.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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