Helmholtz Portfolio Theme Large-Scale Data Management and Analysis (LSDMA)

The Helmholtz Association funded the "Large-Scale Data Management and Analysis" portfolio theme from 2012-2016. Four Helmholtz centres, six universities and another research institution in Germany joined to enable data-intensive science by optimising data life cycles in selected scientific communities. In our Data Life cycle Labs, data experts performed joint R&D together with scientific communities. The Data Services Integration Team focused on generic solutions applied by several communities

Spectroscopy at Microwave and Radio Frequencies

Part A introduces the origin of proton chemical shifts and coupling constants, and discusses the significance of these quantities for studies of conformation and configuration in organic molecules. The general theories of chemical shifts and coupling constants are then applied to pyranosides and in particular to the high resolution proton magnetic resonance spectra of saturated deuterochloroform solutions of the four compounds: A: methyl 2-acetoxymercuri-2-deoxy-beta-D-glucopyranoside triacetate. B: methyl 2-chIoromercuri-2-deoxy-beta-D-glucopyranoside triacetate. C: methyl 2-chloromereuri-2-deoxy-alpha-D-mannopyranoside triacetate. D: methyl 2-chloromercuri-2-deoxy-alpha-D-talopyranoside triacetate. Compounds containing pyranoside rings exist usually in one of the two possible chair conformations, designated by Reeves as Cl and 1C: other things being equal, the Cl conformation is preferred for most D-hexoses and their derivatives. The spectra of the four compounds have been analysed, fully for the ring proton absorptions, using programs written for the DEUCE and KDF 9 computers in Glasgow University. The chemical shifts and coupling constants resulting from the analyses are given. Interpretation of these chemical shifts and coupling constants has confirmed that the compounds do have the structures and configurations described by A, B, C and D above. This is especially important for compound C, about whose configuration there has been some controversy. The ring proton coupling constants in particular show that compounds A, B, and C in saturated deuterochloroform solution have essentially C1 chair forms, with some distortion, and that compound D exists as a very distorted Cl chair conformer, almost in a half-boat conformation: some of these conclusions are supported by X-ray analyses. Apart from the analysis of the ring proton absorption peaks, the methoxy proton chemical shifts agree well with previous findings concerning this substituent, and the acetoxy proton chemical shifts are not inconsistent with the results of other workers. No spin-spin coupling between mercury isotopes and the protons H(1), H(2) or H(3) has been explicitly observed. The peaks in the spectrum of compound D are broadened slightly relative to the peaks in the spectra of the other compounds. This may be because of kinetic effects involving the presence in low concentration of another conformer in the solution, or to unresolved couplings, perhaps long-range proton-proton couplings. In Part B, nuclear quadrupole resonance (NQR) spoctroaccpy is introduced, and quadrupole resonance is treated theoretically, with special reference to the 14N nucleus. A description is given of the two main types of instrument used to detect NQR: the marginal oscillator and the super-regenerative oscillator. Modulation is discussed. Two complete spectrometer systems for detection of NQR have been designed and constructed, and details of these systems are given. The first system uses a marginal oscillator; the second uses a super-regenerative oscillator which is externally quenched. In Part C, the factors which contribute to the electric field gradient tensor and so to the NQR frequencies in an isolated molecule are analysed. Methods of finding various molecular and atomic parameters which are needed for estimating the contributions of these factors are reviewed and discussed, and a few possible extensions or modifications of some of those methods are suggested. Mathematical techniques for evaluating the integrals which come out of these methods are also briefly reviewed, Intermolecular effects on the electric field gradient tensor are discussed briefly. The results are then given of the application to some simple molecules of the methods described and suggested earlier, with some further discussion of points of important detail. These results seem to be promising enough to justify a proper, more detailed, study of the possibilities of semi-empirical calculations of NQR frequencies

An Investigation of the Sculpture/Language Homology

Merged with duplicate record 10026.1/691 on 03.04.2017 by CS (TIS)This research is concerned with the implications of reading sculpture as a mode of communication that is indicative of an art/language homology. An investigation of the inter-relationship of the functions of ‘Language’ and 'Conventions of Visual Communication' is viewed against contemporary redefinitions of the role of sculpture, its character of presentation and mode of engagement with respondents. Theoretical investigation examines models of communication and identifies corresponding systems in an art that is exemplified by the sculpture of Tony Cragg. Cragg's significantly organised collections of commonplace objects, presenting the visual assertiveness of the 'ready-made' prompt a reconsideration of the object as a semantic commodity that embodies narrative. The artifact itself is viewed as a visual reference that induces a sequence of complex associations. A reading of the sculpture's multi-layered mimetic, metaphorical and metonymic indices implies the acceptance of paradigmatic conventions of signification within a communication system frequently described as a 'language of sculpture'. The connotative and denotative nature of a materialised, but idealised, presentation of object imagery suggests that Cragg's sculpture is the vehicle of a dialectic process. It is the art of the 'bricoleur' that embodies a readily accessible lexical and semantic content constructed from the readily available signifiers 'to hand'. The exploratory and reflective investigations of the integral studio projects are concerned with the communication values of contiguous object-entities, in a visual process that links associations in the manner of rhetorical tropes. In a polysemic interaction of visual identities this semantic transposition of a sculptural aesthetic aims to expose relationships connecting expressive material form, image semiosis and object/word associations. The sculptural processes of making-to-reading reveal a systematic structuring of meaning, as the mechanisms of perception are directed by the conceptual modelling of cognitive thought patterns.Theoretical exploration of the notions of a `Language' of Sculpture, a Sculpture/Language homology and the relationship of language functions to visual systems of communication. A critical reading of Cragg's work and practice identifying modes of communication that function as language.A reflexive practical exploration of sculptural object-entities pared down to basic elements to expose the homologous `language' functions of a communicative content

Spatial prepositions and functional relations: the case for minimally specified lexical entries

In this thesis we present a minimally specified approach to the lexical entries for spatial prepositions based on the recognition of the importance of functional relations. We begin by introducing the problem of separating out senses of a lexeme from occurrences of a lexeme, and with a consideration of methods of sense delineation, including ambiguity tests.We then consider classical approaches to the lexical entries of prepositions which favour minimal specification of lexical entries, and compare them to cognitive linguistic accounts which favour full specification of lexical entries. It is argued that classical accounts have problems with case accountability, while cognitive linguistic accounts are based on a misinterpretation of prototype theory. We demonstrate that the accounts are very similar in that they delineate senses in terms of different geometric relations in the world.Functional relations are introduced as an alternative way of understanding spatial relations. It is argued that what is important about objects is how they interact with each other, that is, the functional relations between objects. The work of Garrod and Sanford (1989) and Talmy (1988) is considered in this context, and is developed to deal more adequately with case accountability.A number of experimental studies are reported which demonstrate the existence of functional relations, and cast doubt on ambiguity tests as valid methods of sense delineation. It is proposed that a spatial preposition can be said to have two senses if a language user has a motivated reason for distinguishing between two types of relation. Evidence is provided for a distinction between spatial prepositions which involve functional components, and those that involve purely geometric components. First language acquisition evidence is reviewed which suggests that prepositions involving functional relations are learned first.Finally, the pragmatic principles of Herskovits (1986) are developed and are allied to minimally specified lexical entries in an analyses of in, on, at, over, under, above and below which incorporate functional relations