1,082 research outputs found

    Towards a fuller understanding of selected molecular compounds

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    This work is separated into two distinct sections. The first section deals with the analysis by variable temperature single crystal X-ray diffraction of crystalline molecular materials with novel physical properties. The second section details the electron density analysis of selected crystalline compounds using high resolution, low temperature single crystal X-ray diffraction. Chapter 1 provides introduction to X-ray diffraction outlining the theory this work is based on. Chapter 2 introduces the molecular material studies based on materials containing the bis(ethylenedithio)-tetrathiaftilvalene molecule. The aim of these studies was to achieve a greater understanding of the materials and the changes they undergo when exposed to variations in temperature whilst in the crystalline state. These structural changes observed are very minor but have dramatic effects on the electrical properties of the materials studied. It became apparent that the only way to form a full understanding of these materials was to be able to 'see' the electronic configuration of the materials, not just their gross structure. The field of electron density analysis by X- ray diffraction is now a well documented area. Chapter 4 provides an introduction to the field of electron density analysis. Diffraction experiments were conducted on systems of different complexity to investigate this field and these results are reported in Chapter 5. No electron density analyses have been conducted on the molecular materials studied in Chapter 3 as yet, due to the lack of crystals of suitable quality. It was also noted that to fully categorise the nature of the physical changes occurring in these structures that a diffractometer capable of analysing these samples throughout the temperature range of their physical phenomena was needed. An outline for the development of such a diffractometer is detailed in Chapter 6, 'future works'

    Defamation, A Camouflage of Psychic Interests: The Beginning of a Behavioral Analysis

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    Does the law of defamation need to be reformed? The author thinks so. Professor Probert rejects the doctrine of libel per se and questions the courts\u27 understanding and use of the term reputation. It is his belief that plaintiffs on an individual basis should have increased benefit of the knowledge accumulated by the various social sciences in proving the harm done by the alleged defamation, with more liberalization in the requirements of pleading and proof than is now generally countenanced by the courts

    Habitat-correlated seed germination behaviour in populations of wood anemone (Anemone nemorosa L.) from northern Italy

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    Although various aspects of the biology of Anemone nemorosa have been examined, few studies present data on seed germination, and even then information tends to be rather contradictory. A. nemorosa L. is a spring-flowering, woodland geophyte, widely distributed across much of Europe. Germination phenology, including embryo development and radicle and shoot emergence, were investigated in one mountain and three lowland populations from northern Italy. Immediately after harvest, seeds were either sown on agar in the laboratory under simulated seasonal temperatures, or placed in nylon mesh sachets and buried in the wild. Embryos, undifferentiated at the time of dispersal, grew under summer conditions in the laboratory and in the wild. However, seeds did not germinate under continuous summer conditions. Radicle emergence in the field was first recorded at the beginning of autumn, when soil temperatures had dropped to c. 15°C in the case of the three lowland populations, and to c. 10°C at the mountain site. Shoot emergence was delayed under natural conditions until late autumn/early winter, when soil temperatures had dropped to c. 10°C in the lowlands and c. 6°C at the mountain site. In the laboratory, a period of cold stratification was required for shoot emergence, and this requirement was more pronounced in the mountain population. Seeds of the mountain population completed embryo development, radicle emergence and shoot emergence at cooler temperatures compared with the lowland populations. These results suggest that germination in A. nemorosa is highly adapted and finely tuned to local climate. We conclude that seeds of A. nemorosa display deep, simple epicotyl, morphophysiogical dormancy, and this is the first report of such dormancy for the genus Anemone. However, the continuous development and growth of embryos from the time of natural dispersal, and the lack of evidence of developmental arrest under natural conditions, suggests that radicles are non-dormant

    Langevin dynamics in constant pressure extended systems

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    The advantages of performing Langevin dynamics in extended systems are discussed. A simple Langevin dynamics scheme for producing the canonical ensemble is reviewed, and is then extended to the Hoover ensemble. We show that the resulting equations of motion generate the isobaric–isothermal ensemble. The Parrinello–Rahman ensemble is then discussed and we show that despite the presence of intrinsic probability gradients in this system, a Langevin dynamics approach samples the extended phase space in the correct fashion. The implementation of these methods in the ab initio plane wave density functional theory code CASTEP [M. D. Segall, P. L. D. Lindan, M. J. Probert, C. J. Pickard, P. J. Hasnip, S. J. Clarke, and M. C. Payne, J. Phys.: Condens. Matter 14, 2717 (2003)] is demonstrated

    TNF and its receptors in the CNS: The essential, the desirable and the deleterious effects

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    AbstractTumor necrosis factor (TNF) is the prototypic pro-inflammatory cytokine. It is central to host defense and inflammatory responses but under certain circumstances also triggers cell death and tissue degeneration. Its pleiotropic effects often lead to opposing outcomes during the development of immune-mediated diseases, particularly those affecting the central nervous system (CNS). The reported contradictions may result from lack of precision in discussing TNF. TNF signaling comprises at minimum a two-ligand (soluble and transmembrane TNF) and two-receptor (TNFR1 and TNFR2) system, with ligands and receptors both differentially expressed and regulated on different cell types. The “functional multiplicity” this engenders is the focus of much research, but there is still no general consensus on functional outcomes of TNF signaling in general, let alone in the CNS. In this review, evidence showing the effects of TNF in the CNS under physiological and pathophysiological conditions is placed in the context of major advances in understanding of the cellular and molecular mechanisms that govern TNF function in general. Thus the roles of TNF signaling in the CNS shift from the conventional dichotomy of beneficial and deleterious, that mainly explain effects under pathological conditions, to incorporate a growing number of “essential” and “desirable” roles for TNF and its main cellular source in the CNS, microglia, under physiological conditions including regulation of neuronal activity and maintenance of myelin. An improved holistic view of TNF function in the CNS might better reconcile the expansive experimental data with stark clinical evidence that reduced functioning of TNF and its dominant pro-inflammatory receptor, TNFR1, are risk factors for the development of multiple sclerosis. It will also facilitate the safe translation of basic research findings from animal models to humans and propel the development of more selective anti-TNF therapies aimed at selectively inhibiting deleterious effects of this cytokine while maintaining its essential and desirable ones, in the periphery and the CNS

    Optimal heat transfer design for district-heating and cooling pipelines in air-filled cavities

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    District-heating and/or cooling systems are gradually becoming popular all over the world for heating and/or cooling of large premises. Current conventional practice for the DHC underground distribution networks is to place the supply and the return pipelines side-by-side in air-filled trencRe's. However, t present investigation has shown that by optimising the location of the pipelines, the thermal insulation provided by the air around the pipes can be maximised. This is achieved by placing the hot pipeline above the cold one, the exact position depending upon the temperatures involved. For most purposes, it is recommended that the displacement ratio for the hot pipe is to be at -0.7 or -0.08 and that of the cold pipe at 0.05 or 0.67 for district heating or cooling respectively [i. e. the hot and cold pipes being placed in the upper and lower halves of the trench respectively]. Each chapter is presented in such a way that it can be read independently of the others as far as possible

    Local climate explains degree of seed dormancy in Hypericum elodes L. (Hypericaceae)

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    Seed dormancy and germination characteristics may vary within species in response to several factors. Knowledge of such variation is crucial to understand plant evolution and adaptation to environmental changes. We examined the correlation of climate and population genetic differentiation (ISSR) with primary seed dormancy and germination behaviour in populations of the Atlantic-European soft-water pool specialist Hypericum elodes. Primary dormancy was measured by analysing seed germination response of fresh seeds and after various periods of cold stratification. Laboratory germination experiments revealed that the single most important factor for promoting germination was cold stratification prior to placing at the germination temperature. However, in agreement with their weaker primary dormancy, the seeds germinated well when fresh, and the benefit of cold stratification was more relaxed for the southern populations. Seeds of all populations demonstrated a near absolute requirement for a light and alternating temperature regime in order to germinate. The promoting effect of alternating temperatures was particularly effective at warm temperatures (mean 20 °C) but not at cool temperatures. Whilst seed germination requirements were similar among populations, the degree of primary dormancy varied considerably and was not associated with population genetic differentiation. Primary dormancy degree was instead associated with local climate: higher temperature in summer and rainfall in winter predicted weak and rapid loss of dormancy. These results suggest that seed maturation environment may play a substantial role in explaining the degree of dormancy in H. elodes, highlighting that physiological dormancy can be modulated by local climat
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