The crystal structure of donepezil hydrochloride, form III, has been solved with FOX using laboratory powder diffraction data previously submitted to and published in the Powder Diffraction File. Rietveld refinement with GSAS yielded monoclinic lattice parameters of a = 14.3662(9) Å, b = 11.8384(6) Å, c = 13.5572(7) Å, and β = 107.7560(26)° (C24H30ClNO3, Z = 4, space group P21/c). The Rietveld-refined structure was compared to a density functional theory (DFT)-optimized structure, and the structures exhibit excellent agreement. Layers of donepezil molecules parallel to the (101) planes are maintained by columns of chloride anions along the b-axis, where each chloride anion hydrogen bonds to three donepezil molecules each.

Early maladaptive schemas (EMS) are broad, pervasive themes and patterns of emotions, memories, cognition and physical sensations that impede the goal of individuals. Maladaptive behaviours can occur as a response to maladaptive or negative schemas, often culminating in depression or anxiety. The current meta-analysis integrates the existing literature to estimate the magnitude of effect of association between EMS and depression among adolescents and young adults. A systematic search of seven different databases including Embase, CINAHL, Medline, ASSIA, Psych INFO, Scopus and Web of Science was carried out identifying 24 relevant studies of adolescents (10–18 years) and young adults (19–29 years). The random-effect model estimate for association between overall EMS and depression was r = 0.56 (95% CI 0.49–0.63, Z = 12.88, p ≤ 0.0001), suggesting higher predominant EMS significantly linked to higher levels of depressive symptoms, with a large effect size. Separate meta-analytical results with schema domains indicated moderately stronger associations between schemas of disconnection/rejection, impaired autonomy/performance and other-directedness with depression. Age and gender were not found to have any significant moderating effect on the associations. The findings suggest that it is vital for clinicians to identify specific maladaptive schemas contributing towards depression, to have a better understanding of underlying cognitive processes and in turn promote psychological health, well-being and resilience in adolescents and young adults. Furthermore, findings will also assist clinicians to focus more on the content of three significant schema domains, which emerged as particularly salient factors underlying adolescent depression.

Synchrotron powder diffraction data is presented for the monoclinic polymorph of dimethylarsinic acid, (CH3)2AsO(OH) (DMAV). Rietveld refinement with GSASII yielded lattice parameters of a = 15.9264(15) Å, b = 6.53999(8) Å, c = 11.3401(9) Å, and β = 125.8546(17)° (Z = 8, space group C2/c). The Rietveld-refined structure was compared with both a density functional theory (DFT)-optimized structure and the published, low-temperature single-crystal structure, and all three structures exhibited excellent agreement. The triclinic polymorph of DMAV was also DFT optimized with CRYSTAL17 to determine the positions of the hydrogen atoms. Monoclinic DMAV forms zigzag chains parallel to the b-axis with adjacent DMAV molecules connected by an O–H⋯O bond, whereas triclinic DMAV forms dimers connected by two O–H⋯O bonds.

The crystal structure of trimethylarsine oxide dihydrate, (CH3)3AsO⋅2H2O, (TMAO dihydrate) has been solved using parallel tempering with the FOX software package and refined using synchrotron powder diffraction data obtained from beamline 08B1-1 at the Canadian Light Source. Rietveld refinement, performed with the software package GSASII, yielded orthorhombic lattice parameters of a = 13.3937(4) Å, b = 9.53025(30) Å, and c = 11.5951(3) Å (Z = 8, space group Pbca). The Rietveld refined structure was compared with density functional theory calculations performed with VASP and shows reasonable agreement. Arsenic K-edge X-ray absorption spectroscopy analysis also revealed additional information on the electronic structure of the arsenic atom within the TMAO dihydrate structure.

We give a new proof of a result of Sullivan [Hyperbolic geometry and homeomorphisms, in Geometric topology (ed. J. C. Cantrell), pp. 543–555 (Academic Press, New York, 1979)] establishing that all finite volume hyperbolic n-manifolds have a finite cover admitting a spin structure. In addition, in all dimensions greater than or equal to 5, we give the first examples of finite-volume hyperbolic n-manifolds that do not admit a spin structure.

The crystal structure of MoO2(O2)(H2O)·H2O has been solved using parallel tempering with the FOX software package and refined using synchrotron powder diffraction data obtained from beamline 08B1-1 at the Canadian Light Source. Rietveld refinement, performed with the software package GSAS, yielded monoclinic lattice parameters of a = 17.3355(5) Å, b = 3.83342(10) Å, c = 6.55760(18) Å, and β = 91.2114(27)° (Z = 4, space group I2/m). The structure is composed of double zigzag molybdate chains running parallel to the b-axis. The Rietveld refined structure was compared with density functional theory (DFT) calculations performed with CRYSTAL14, and shows comparable agreement with two DFT optimized structures of similar energy, which differ by the location of the molybdate coordinated water molecule. The true structure is likely a disordered combination of the two DFT optimized structures.

Metal–insulator–metal (MIM) resonant absorbers comprise a conducting ground plane, a thin dielectric, and thin separated metal top-surface structures. The dielectric SiO2 strongly absorbs near 9 µm wavelength and has correspondingly strong long-wave-infrared (LWIR) dispersion for the refractive index. This dispersion results in multiple absorption resonances spanning the LWIR, which can enhance broad-band sensitivity for LWIR bolometers. Similar considerations apply to silicon nitride Si3N4. TiO2 and AlN have comparatively low dispersion and give simple single LWIR resonances. These dispersion-dependent features for infrared MIM devices are demonstrated by experiment, electrodynamic simulation, and an analytic model based on standing waves.

The crystal structure of MoO2(O2)H2O has been solved by analogy with the WO2(O2)H2O structure and refined with synchrotron powder diffraction data obtained from beamline 08B1-1 at the Canadian Light Source. Rietveld refinement, performed with the software package GSAS, yielded monoclinic lattice parameters of a = 12.0417(4) Å, b = 3.87003(14) Å, c = 7.38390(24) Å, and β = 78.0843(11)° (Z = 4, space group P21/n). The structure is composed of double zigzag molybdate chains running parallel to the b-axis. The Rietveld refined structure was compared with density functional theory (DFT) calculations performed with CRYSTAL14, and show strong agreement with the DFT optimized structure.

This paper examines ideas about democratic legitimacy and sovereignty within Ulster unionist political thought during the revolutionary period in Ireland (c. 1912–22). Confronted by Irish nationalists who claimed that Home Rule (and later, independence) enjoyed the support of the majority of people in Ireland, Ulster unionists deployed their own democratic idioms to rebuff such arguments. In asserting unionism's majority status, first, across the United Kingdom and, second, within the province of Ulster, unionists mined the language of democracy to legitimise their militant stand against Home Rule. The paper also probes the unionist conception of sovereignty by examining the establishment of the Provisional Government of Ulster in 1913, which was styled as a ‘trustee’ for the British constitution in Ireland after the coming of Home Rule. The imperial, economic and religious arguments articulated by unionists against Home Rule are well known, but the space given to constitutional rights and democratic legitimacy in the political language of unionism remain obscure. While the antagonisms at the heart of the revolutionary period in Ireland assumed the form of identity politics and sectarianism, the deployment of normative democratic language by unionists reveals that clashing ideals of representative government underpinned the conflict.

The crystal structure of Na(NH4)Mo3O10·H2O has been solved by parallel tempering using the FOX software package with synchrotron powder diffraction data obtained from beamline 08B1-1 at the Canadian Light Source. Rietveld refinement, performed with the software package GSAS, yielded orthorhombic lattice parameters of a = 13.549 82(10), b = 7.618 50(6), and c = 9.302 74(7) Å (Z = 4, space group Pnma). The structure is composed of molybdate chains running parallel to the b-axis. The Rietveld refinement results were compared with density functional theory calculations performed with CRYSTAL14, and show excellent agreement with the calculated structure.

Low resting respiratory sinus arrhythmia (RSA), and to a lesser extent excessive RSA reactivity to emotion evocation, are observed in many psychiatric disorders characterized by emotion dysregulation, including syndromes spanning the internalizing and externalizing spectra, and other conditions such as nonsuicidal self-injury. Nevertheless, some inconsistencies exist. For example, null outcomes in studies of RSA–emotion dysregulation relations are sometimes observed among younger participants. Such findings may derive from use of age inappropriate frequency bands in calculating RSA. We combine data from five published samples (N = 559) spanning ages 4 to 17 years, and reanalyze RSA data using age-appropriate respiratory frequencies. Misspecifying respiratory frequencies results in overestimates of resting RSA and underestimates of RSA reactivity, particularly among young children. Underestimates of developmental shifts in RSA and RSA reactivity from preschool to adolescence were also observed. Although correlational analyses revealed weak negative associations between resting RSA and aggression, those with clinical levels of externalizing exhibited lower resting RSA than their peers. No associations between RSA reactivity and externalizing were observed. Results confirm that age-corrected frequency bands should be used when estimating RSA, and that literature-wide overestimates of resting RSA, underestimates of RSA reactivity, and underestimates of developmental shifts in RSA and RSA reactivity may exist.

The surface waters of the Southern Ocean play a key role in the global climate and carbon cycles by promoting growth of some of the world’s largest phytoplankton blooms. Several studies have emphasized the importance of glacial and sediment inputs of Fe that fuel the primary production of the Fe-limited Southern Ocean. Although the fertile surface waters along the shelf of the western Antarctic Peninsula (WAP) are influenced by large inputs of freshwater, this freshwater may take multiple pathways (e.g. calving, streams, groundwater discharge) with different degrees of water-rock interactions leading to variable Fe flux to coastal waters. During the summers of 2012–13 and 2013–14, seawater samples were collected along the WAP, near Anvers Island, to observe water column dynamics in nearshore and offshore waters. Tracers (223,224Ra, 222Rn, 18O, 2H) were used to evaluate the source and transport of water and nutrients in coastal fjords and across the shelf. Coastal waters are compared across two field seasons, with increased freshwater observed during 2014. Horizontal mixing rates of water masses along the WAP ranged from 110–3600 m2 s-1. These mixing rates suggest a rapid transport mechanism for moving meltwater offshore.

Synchrotron powder diffraction data have been obtained and indexed for ferrous gluconate, a common supplement used for the treatment and prevention of iron-deficiency anemia. Ferrous gluconate (Fe(C6H11O7)2 · x H2O, Z = 4) crystallizes in a monoclinic cell (space group I2, #5) with lattice parameters a = 19.953 16(9) Å, b = 5.513 92(3) Å, c = 18.470 58(9) Å, and β = 111.3826(3)°. The pattern shows no evidence of impurity reflections.

The crystal structure of trandolapril has been solved by parallel tempering using the FOX software package with laboratory powder diffraction data submitted to and published in the Powder Diffraction File. Rietveld refinement was performed with the software package GSAS yielding orthorhombic lattice parameters of a = 19.7685(4), b = 15.0697(4), and c = 7.6704(2) Å (C24H34N2O5, Z = 4, space group P212121). The Rietveld refinement results were compared with density functional theory (DFT) calculations performed with CRYSTAL14. While the structures are similar, discrepancies are observed in the configuration of the octahydroindole ring between the Rietveld and DFT structures, suggesting the refined and calculated molecules are diastereomers.

Cosmic radiation is capable of depositing significant quantities of energy and momentum in gravitational wave antennas at times that will generally be random with respect to gravitational signals. Such cosmic ray effects may generate noise signals at detectable levels compared to antenna design thresholds at rates of a few per year but, since antennas will not be capable of absorbing all the cosmic ray energy, it should be readily possible to construct vetoing cosmic ray detectors. For proposed interferometer antennas, a deposition of a few hundred GeV will produce a detectable noise signal and the veto will require about 100 MeV of energy deposition outside the antenna. We consider here some of the principles involved in the generation of gravitational antenna noise by cosmic ray particles and we describe a veto system to be installed at the Perth gravitational wave observatory.