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NMR crystallographic techniques are used to validate a structure of β-piroxicam determined from powder X-ray diffraction (PXRD) with a relatively poor R-factor. Geometry optimisation of PXRD- and single-crystal XRD- derived structures results in convergence to the same energy of the structures, with minimal atomic displacements, and good agreement of gauge-included projector augmented wave (GIPAW) calculated and experimentally determined NMR 1H, 13C and 15N chemical shifts and 14N quadrupolar parameters. Calculations on isolated molecules combined with 2D magic-angle spinning (MAS) 1H double-quantum (DQ) and 14N-1H NMR experiments confirm the 3D packing arrangement of β-piroxicam. NMR crystallography is shown to be an effective means of validating crystal structures that might otherwise be considered sceptically on the basis of diffraction data alone.

This article presents an overview of current knowledge regarding the aetiology of Borderline Personality Disorder (BPD). It begins with a brief synopsis of early research and theory, and discusses how changing conceptualisations of BPD have impacted on our aetiological knowledge. Contemporary theories are described and presented within a developmental psychopathology framework. Deficient co-regulation and social communication in infancy are purported to underpin emotional dysregulation and social cognition deficits across development. These mechanisms are further potentiated by maladaptive social experiences in a series of positive feedback loops. Prospective research provides preliminary evidence for the reciprocal (or mediating) effects of maladaptive experiences and childhood dysregulation. Moving forward, cohort studies may incorporate neurobiological assessments to examine the biological systems underpinning phenotypic (e.g., impulsivity, disturbed relatedness) covariation. [Abstract copyright: Crown Copyright © 2017. Published by Elsevier Ltd. All rights reserved.]

We have investigated the superconducting state of the noncentrosymmetric superconductor Re6Ti (Tc = 6.0K) using a muon-spin rotation/relaxation technique. The zero-field muon experiment shows the presence of spontaneous magnetic fields in the superconducting state, indicating time-reversal symmetry breaking (TRSB). However, the low-temperature transverse-field muon measurements suggest nodeless s-wave superconductivity. Similar results were also observed for Re6X (X = Zr, Hf) family of materials which indicates that the pairing symmetry does not depend on the spin-orbital coupling. Altogether, these studies suggest an unconventional nature (TRSB) of superconductivity is intrinsic to the Re6X family of compounds and paves the way for further studies of this family of materials.

This paper examines the topical question as to whether non-tangible products such as apps and other software not supplied on a tangible medium (should) qualify as products under EU Product Liability Directive. It addresses the relevant questions posed by the European Commission, which has recently announced an evaluation of the said Directive with the aim of its adaptation to the digital age. The article draws a crucial distinction between information (whether in tangible or non-tangible form) that should not lead to liability and tangible or non-tangible products which are not confined to mere information provision and whose defects may cause material harm. The latter must be considered as falling within the Product Liability Directive, which is eligible to reasonable interpretation achieving this aim.

We present magnetic susceptibility, heat capacity, and neutron diffraction measurements of polycrystalline Nd2Ru2O7 down to 0.4 K. Three anomalies in the magnetic susceptibility measurements at 146, 21 and 1.8 K are associated with an antiferromagnetic ordering of the Ru4+ moments, a weak ferromagnetic signal attributed to a canting of the Ru4+ and Nd3+ moments, and a long-range-ordering of the Nd3+ moments, respectively. The long-range order of the Nd3+ moments was observed in all the measurements, indicating that the ground state of the compound is not a spin glass. The magnetic entropy of Rln2 accumulated up to 5 K, suggests the Nd3+ has a doublet ground state. Lattice distortions accompany the transitions, as revealed by neutron diffraction measurements, and in agreement with earlier synchrotron x-ray studies. The magnetic moment of the Nd3+ ion at 0.4 K is estimated to be 1.54(2)µB and the magnetic structure is all-in all-out as determined by our neutron diffraction measurements.

Night Eating Syndrome (NES), as a diagnosis, presents as a combination of disordered eating, sleep and mood. Patients identified as having both NES and obesity demonstrate poorer outcomes in terms of weight loss compared to those with NES only. However, research focusing on psychological factors associated with NES remains relatively underdeveloped. This study aimed to explore the relationship between NES and the experience of emotion from the perspective of patients accessing a weight management service. Ten adults who met diagnostic criteria for moderate or full NES took part in a semi-structured interview. Data were analysed using a constructivist approach to grounded theory. A core concept to emerge from the analysis was termed 'emotional hunger'; reflecting an urge or need to satiate a set of underlying unmet emotional needs. It was underpinned by the following interrelated themes: (1) Cultivating a dependency on food; (2) Relying on food to regulate emotions; (3) Understanding the significance of night-time; (4) Acknowledging the consequences of night eating. This study provides an in-depth understanding of the relationship between NES and the experience of emotion from the perspective of patients attending a weight management service. Results have potential to inform future service development, particularly around the adoption of a more holistic approach to night eating behaviours.

This introductory chapter provides background to and outlines the main arguments for exploring new research agendas in autonomy in language learning and teaching research. As research on autonomy in language teaching and learning approaches the four-decade mark, the field is rapidly moving in different directions. However, the most recent overview of the field was published ten years ago (Benson, Lang Teach 40:21–40, 2007). Picking up from Benson's (Lang Teach 40:21–40, 2007) state-of-the-art article, this introductory chapter overviews various relatively recent developments in autonomy research with learners and with teachers and briefly summarizes the contribution of each chapter.

This study argues that assessment of student attitudes provides insight into the culture and climate of schools. The Francis Scale of Attitude toward Christianity was employed to explore the Christian culture and climate of Anglican church primary schools within the state-maintained sector across Wales. The analysis drew on responses from 1,899 students from year 5 and year 6. The data demonstrated that the majority of students held a positive attitude toward Christianity, that female students held a more positive attitude than did male students, and that a significant decline in positive attitude toward Christianity took place over the two year groups.

NMR crystallographic techniques are used to validate a structure of β-piroxicam determined from powder X-ray diffraction (PXRD) with a relatively poor R-factor. Geometry optimisation of PXRD- and single-crystal XRD- derived structures results in convergence to the same energy of the structures, with minimal atomic displacements, and good agreement of gauge-included projector augmented wave (GIPAW) calculated and experimentally determined NMR 1H, 13C and 15N chemical shifts and 14N quadrupolar parameters. Calculations on isolated molecules combined with 2D magic-angle spinning (MAS) 1H double-quantum (DQ) and 14N-1H NMR experiments confirm the 3D packing arrangement of β-piroxicam. NMR crystallography is shown to be an effective means of validating crystal structures that might otherwise be considered sceptically on the basis of diffraction data alone.

We investigate the electric and thermoelectric transport coefficients of nanocomposites using the Non-Equilibrium Green's Function (NEGF) method, which can accurately capture the details of geometry and disorder in these structures. We consider here two-dimensional (2D) channels with embedded nanoinclusions (NIs) modelled as potential barriers of cylindrical shape and height VB. We investigate the effect of randomness of the NIs on the thermoelectric power factor by varying the positions, diameter, and heights of the barriers according to a Gaussian probability distribution. We find that the power factor shows indications of tolerance to variations in the parameters of the NIs when the Fermi level is placed into the bands and VB ∼ kBT. These results could be experimentally relevant in the design of nanocomposites for thermoelectric applications.

This thesis is a feasibility study into the application of controlled polymerisation techniques to the production of polymers for use in the biomedical industry and was funded by Biocompatibles Ltd. UK. The focus has been polymerisation of functional methacrylates of interest to contact lens design and in particular the synthesis of polymers with terminal unsaturation (macromonomers). Monomers investigated include tris(trimethylsiloxy)-3-methacryloxy propylsilane (TR1S), 2-(methacryloxyethyl)-2'-(trimethylammoniumethyl)phosphate (HEMA-PC), 2-(2'-hydroxy-5'-methacrylyloxyethylphenyl)-2H-benzotriazole (NORBLOC) and 2-(2-hydroxy-3-/er/-butyl-5-vinylphenyl)-5-chloro-2H-benzotriazole (UVAM). The polymerisation techniques investigated are conventional chain transfer using mercaptans, catalytic chain transfer polymerisation and transition metal mediated living radical polymersiation (TMM-LRP). The application of these polymerisation techniques to the monomers discussed has been successful but not without certain difficulties. The production of macromonomers by the first two methods is relatively well documented however there are no reports of macromonomer production via TMM-LRP and in this thesis several methods of end group functionalisation have been demonstrated.

This article highlights the interactional work involved in relational aggression, and how rules and norms around sitting are used by students to achieve exclusion and dominance. This research took place in an English secondary school which educates pupils from Year 7 to sixth form (ages 11–18). Drawing on observation, walk-and-talk and group discussion data with Year 9 students (age 13–14), this research highlights how the girls developed shared rules and norms around sitting which, while seemingly reasonable and applied equally to all, are seen to facilitate and legitimise exclusion and relational aggression. Girls from different social groups collaboratively constructed and participated in a system of rules which were then utilised for dominance and exclusion by regulating where, when and how girls sat. Sitting is seen to be an important marker of ownership, both of people and places, as well as a group management tool within student social groups.

Polyethylene glycol (PEG) is a gold standard against protein fouling. However, recent studies have revealed surprising adverse effects of PEG, namely its immunogenicity and shortened bio-circulation upon repeated dosing. This highlights a crucial need to further examine 'stealth' polymers for controlling the protein 'corona', a new challenge in nanomedicine and bionanotechnology. Poly(2-ethyl-2-oxazoline) (PEtOx) is another primary form of stealth polymer that, despite its excellent hydrophilicity and biocompatibility, has found considerably less applications compared with PEG. Herein, we performed label-free proteomics to compare the associations of linear PEG- and PEtOx-grafted nano-graphene oxide (nGO) sheets with human plasma proteins, complemented by cytotoxicity and haemolysis assays to compare the cellular interactions of these polymers. Our data revealed that nGO-PEG enriched apolipoproteins, while nGO-PEtOx displayed a preferred binding with pro-angiogenic and structural proteins, despite high similarities in their respective top-10 enriched proteins. In addition, nGO-PEG and nGO-PEtOx exhibited similar levels of enrichment of complement proteins. Both PEG and PEtOx markedly reduced nGO toxicity to HEK 293 cells while mitigating nGO haemolysis. This study provides the first detailed profile of the human plasma protein corona associated with PEtOx-grafted nanomaterials and, in light of the distinctions of PEtOx in chemical adaptability, in vivo clearance and immunogenicity, validates the use of PEtOx as a viable stealth alternative to PEG for nanomedicines and bionanotechnologies.

The film of kesterite Cu2ZnSnS4 (CZTS) was prepared on a fluorinated tin oxide (FTO) substrate by a galvanostatically pulsed electrodeposition. The effect of duty cycles on electrodeposition was investigated at 33%, 50%, and 67% duty cycle. For the characterization, the prepared films were analyzed by scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), x-ray spectroscopy (XRD), UV-vis spectroscopy, Raman spectroscopy, and an atomic emission elemental analyzer. According to the experiments, surface morphologies of the CZT precursor appear to be uniform with fewer pores. After sulfurization, the morphologies of CZTS film become more uniform. When considering duty cycles, a higher duty cycle resulted in the surface being denser, more compact, more uniform, and smoother. Based upon the XRD and EDS, the film's composition consists of copper, zinc, tin, and sulfur. The compound formulae is also proved to be copper zinc tin sulfide.

Identifying and treating infectious diseases remains a challenge for modern healthcare professionals. Proper identification of infectious diseases and understanding of the means of infection will allow for optimal use of antibiotics and the development of alternative therapies such as anti-adhesion therapy. It is therefore important to develop tools that can probe the processes involved in infection, or that can be used as point of care diagnostics. In vivo glycosylated surfaces are inherently heterogeneous, increasing the complexity of the interactions that take place, and with a corresponding increase in analytical difficulty. Glycopolymers and glycosylated nanoparticles are ideal methods for incorporating synthetic functionalisation into a biological setting to probe interactions between glycosylated surfaces and carbohydrate recognising proteins (lectins).

This work utilises heterogeneously glycosylated polymers to probe the inhibitory and kinetic activity of the polymers towards various lectin targets. We see further evidence of the "heterocluster effect" whereby nominally non-binding sugar epitopes give rise to faster association rates and increase overall residence time of bound lectins to the polymers. Highly coloured heterogeneously glycosylated gold nanoparticles are used to develop a high throughput screening library for the identification of binding patterns with lectins that could lead to use as an identification system of unknown lectins. Finally, unnatural azide containing sugars are used to metabolically label the surface of A549 carcinoma cells and tagged using fluorescent polymers. This system provides a robust way of introducing polymeric functionality onto the surface of cells, opening the ability to probe in-depth the cell surface.

The paper presents the research outcome on integration of an Adiabatic Compressed Air Energy Storage system with a Combined Cycle Gas Turbine power plant to increase its operation flexibility. The study demonstrates the novel hybrid CCGT-ACAES plant including an extended operational load level range and increased operation flexibility which supports the power grid to allow more power generation from connected intermittent renewable energy sources. It is also shown that this new hybrid power plant will avoid the Combined Cycle plant gas turbine operating under the low load level. Lowering the minimum hybrid plant operational load level during air and Thermal Energy Storage charging process to the required minimum Heat Recovery Steam Generator load level eliminates the need for Combined Cycle Gas Turbine plant cycling operation increasing the lifetime of the plant components. Adiabatic Compressed Air Energy Storage plant concept is based on proved and well established direct two-tank Thermal Energy Storage technology used in Concentrated Solar Power plants. Improved hybrid plant flexibility is occupied by slight decrease (2%) in the plant efficiency. Further investigation into alternative advanced Thermal Energy Storage systems based on latent heat and chemical reaction heat would offer better hybrid plant round-trip efficiency across operational plant load level range.

This thesis examines the development of mental health activism in the women's movement in England from the establishment of the Women's Liberation Movement (WLM) in 1968 until the end of the first nationwide charity campaign to focus on women and mental health, MIND's Stress on Women, in 1994. Constructing in-depth case studies, this thesis assesses the assumption in the late 1960s and early 1970s that consciousness-raising facilitated women's positive mental health, examines the formation of the London Women's Liberation Workshop Psychology Group, traces the development of the Women's Therapy Centre in London, and explores how the mental health charity MIND increasingly utilised and popularised women's movement ideas and approaches across the 1980s and 1990s. In doing so, it explores how women's movement mental health activists increasingly aligned feminist critiques of psychiatry and psychology, with the positive promotion of psychotherapy. Existing accounts of women's movement mental health activism focus on the rejection of psychology and psychotherapy by its members. This thesis highlights how women's movement members established community-based organisations and grassroots self-help groups to bolster their understandings of themselves and their political affiliations, and to support women experiencing mental health concerns and emotional distress. It therefore produces a more expansive understanding of the development of the personal politics integral to the women's movement, challenges the popular narrative that women's movement organisations became depoliticised in the 1980s, and documents the previously unexplored contribution of the women's movement to the development of radical therapy networks and community-based mental health care in late twentieth-century England.

Polyoxometalates (POMs) incorporating paramagnetic ions, such as gadolinium, show promise as contrast agents for application in magnetic resonance imaging (MRI). Specifically, [Gd(W5O18)2]9− (denoted as GdWO) has been reported to have a higher relaxivity than commercially available contrast agents, but it's clinical utility has been limited by the intrinsic instability of POMs at physiological pH (7.4). In the current report we present a stability study on neat GdWO and nano-assemblies of block copolymers with GdWO in the pH range 5.0–7.4 to assess their suitability as MRI contrast agents. Neat GdWO only maintained structural stability between pH 5.4 and 6.4, and demonstrated poor MRI contrast at pH 7.4. To address this pH instability, GdWO was self-assembled with cationic mPEG brush block copolymers containing 20 or 40 units derived from the cationic monomer, 2-dimethylaminoethyl methacrylate (DMAEMA). Nano-assemblies with different charge ratios were synthesised and characterised according to their size, stability, contrasting properties and toxicity. The longitudinal relaxivity (r1) of the nano-assemblies was found to be dependent on the charge ratio, but not on the length of the cationic polymer block. Further investigation of PDMAEMA20 nano-assemblies demonstrated that they were stable over the pH range 5.0–7.4, exhibiting a higher r1 than either neat GdWO (2.77 s−1 mM−1) or clinical MRI contrast agent Gd-DTPA (4.1 s−1 mM−1) at pH 7.4. Importantly, the nano-assembly with the lowest charge ratio (0.2), showed the highest r1 (12.1 s−1 mM−1) whilst, stabilising GdWO over the pH range studied, eliciting low toxicity with MDA-MB231 cells.



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