The crystal structure of calcite III

The crystal structure of calcite III has been deduced from existing high pressure powder X-ray diffraction patterns, based on the assumption that it is a displacive modification of the calcite I structure. The structure is monoclinic with space group C2 and a Z of 6. There are two Ca and two C positions, and five O positions, and atom coordinates have been refined by distance-least-squares methods to give reasonable octahedral coordination for Ca and parallel, planar CO_3 groups. Unit cell parameters refined from a published powder diffraction pattern at 4.1 GPa are: a = 8.746(8)Å; b = 4.685(5)Å; c = 8.275(8)Å; and β= 94.4°. The structure has a calculated density of 2.949 Mg/m³ at 4.1 GPa which is less than that of aragonite at this pressure and consistent with early piston cylinder studies. This implies that calcite III is indeed a metastable intermediary between calcite I and aragonite

East Java: Cenozoic basins, volcanoes and ancient basement

East Java on land is divided here into four broadly EW zones: (1) the Southern Mountains Zone, an Eocene to Miocene volcanic arc, separated by (2) the present-day volcanic arc from (3) the Kendeng Zone which was the main Cenozoic depocentre in onshore East Java; and to the north (4) the Rembang Zone which represents the edge of the Sunda Shelf. Several synthems separated by unconformities can be identified and correlated between the different zones. There is a regional angular unconformity above Upper Cretaceous and older basement. The oldest rocks above the unconformity range from Mid Eocene to Lower Oligocene and record a gradual transgression and, in SE Java, an increase in volcanic material up-section.After an intra-Oligocene sea-level fall, volcanic material from the arc dominated in the Southern Mountains and Kendeng Zones while in the Rembang Zone carbonate deposition continued. In the Early Miocene, activity in the Southern Mountains Volcanic Arc culminated in a major eruptive phase at 20 Ma ± 1 Ma, similar in scale to the Pleistocene eruptions of Toba. To the north carbonate deposition was interrupted by clastic input containing reworked basement and Eocene material. The Mid Miocene was a period of reworking and carbonate sedimentation. In the Late Miocene volcanic activity recommenced at the position of the present-day arc and there was a series of deformation events throughout East Java. Volcanism has played an important role in the development of East Java, providing a source of material and contributing to subsidence by flexural loading. Provenance studies and dating of zircons provide insight into the basement character and suggest that continental crust of Gondwana (possibly Western Australian) origin lies beneath part of the Southern Mountains Zone. It is suggested that continental Sundaland provided very little, if any, terrigenous material to East Java in the Cenozoic

Development and characterization of nickel-NTA-polyaniline modified electrodes

The engineered addition of hexa-histidine sequences to biomolecules such as antibody fragments has been found to be an excellent means of purifying these materials. This tagging methodology has also been extended to its use as a tool for immobilization and orientation of antibodies on transducer surfaces. Polyvinyl sulfonate-doped polyanilne (PANI/ PVS) can be used as a mediator in amperometric biosensors. This short communication looks at the effect of nickel chelate materials and nickel chelation on this conducting polymer and evaluates it as a potential surface for the immobilization of his-tagged biomolecules. N-nitrilotriacetic acid (NTA) was doped into the electropolymerized PANI/PVS at a screen-printed carbon paste electrode. The resulting NTA-PANI/PVS film was shown to have comparable electrochemical properties of polymer without the chelating agent. When Ni 2þ was applied to the electrode, the incorporated NTA was found to efficiently chelate the metal ions at the electrode surface

Application of nanoparticulate conducting polyaniline in nanofilm biosensor technology

This biosensor uses a novel aqueous-based nanoparticulate polyaniline (PANI), synthesised using dodecylbenzenesulphonic acid (DBSA) and aniline as starting material. These polymer nanoparticles have been electrodeposited on to the surface of carbon electrodes resulting in conductive nano-films, which were examined by electrochemistry, scanning electron microscopy (SEM), atomic force microscopy (AFM), profilometry and spectroelectrochemistry. Biomolecules were then electrostatically adsorbed onto this surface and physical techniques have shown that the nanofilm possesses properties which allow for uniform adsorption of protein to take place. This effective biosensor format has been characterised using a horseradish peroxidase (HRP) and H2O2 format. This sensor exhibits higher signal/noise (S/N) ratios and quicker response times than previous PANI biosensor formats developed by our group, due to its nanofilm characteristic

Potential risk factors for medication non-adherence in patients with chronic obstructive pulmonary disease (COPD)

Aims To investigate the effect of a range of demographic and psychosocial variables on medication adherence in chronic obstructive pulmonary disease (COPD) patients managed in a secondary care setting. Methods A total of 173 patients with a confirmed diagnosis of COPD, recruited from an outpatient clinic in Northern Ireland, participated in the study. Data collection was carried out via face-to-face interviews and through review of patients’ medical charts. Social and demographic variables, co-morbidity, self-reported drug adherence (Morisky scale), Hospital Anxiety and Depression (HAD) scale, COPD knowledge, Health Belief Model (HBM) and self-efficacy scales were determined for each patient. Results Participants were aged 67±9.7 (mean ± SD) years, 56 % female and took a mean (SD) of 8.2±3.4 drugs. Low adherence with medications was present in 29.5 % of the patients. Demographic variables (gender, age, marital status, living arrangements and occupation) were not associated with adherence. A range of clinical and psychosocial variables, on the other hand, were found to be associated with medication adherence, i.e. beliefs regarding medication effectiveness, severity of COPD, smoking status, presence of co-morbid illness, depressed mood, self-efficacy, perceived susceptibility and perceived barriers within the HBM (p<0.05). Logistic regression analysis showed that perceived ineffectiveness of medication, presence of co-morbid illness, depressed mood and perceived barriers were independently associated with medication non-adherence in the study (P<0.05). Conclusions Adherence in COPD patients is influenced more by patients’ perception of their health and medication effectiveness, the presence of depressed mood and comorbid illness than by demographic factors or disease severity

THE STRUCTURE AND HYDRATION OF THE HUMITE MINERALS

The final copy of this thesis has been examined by the signatories, and we find that both the content and the form meet acceptable presentation standards of scholarly work in the above mentioned disciple. iii Hirner, Sarah Marie (M.S., Geology, Department of Geological Sciences) The structure and hydration of the humite minerals Thesis directed by Professor Joseph R. Smyth The entire water budget of the mantle may be dominated by nominally anhydrous minerals. The local structural environment of H in the humite minerals could provide a valuable model for the incorporation of H into olivine due to their structural similarities. It also thought that humites may play a significant role in the transport of water into the mantle. Four crystals of chondrodite, clinohumite, norbergite, and humite, both natural and synthetic, have been analyzed via Raman spectroscopy and electron microprobe analysis. Their structures have been refined by single-crystal X-ray diffraction analysis. The new data confirms earlier studies of cation ordering and hydration geometry, and adds new insight into the crystal chemistry of the humite minerals, particularly the geometry of the H position. In humite, hydrogen was found to occupy the H1 site. iv ACKMOWLEDGEMENTS This research was supported in part by National Science Foundation grants to Joseph R. Smyth

Liver, horseradish and bananas: a diet of enzymes for voltammetry

In this paper we will report on recent work that we have carried out involving enzymes such as glutamate dehydrogenase (from liver), peroxidase (from horseradish) and tyrosinase (from banana)

Crystal structure of hydrous wadsleyite with 2.8% H 2 O and compressibility to 60 GPa

ABSTRACT Hydrous wadsleyite (β-Mg 2 SiO 4 ) with 2.8 wt% water content has been synthesized at 15 GPa and 1250 °C in a multi-anvil press. The unit-cell parameters are: a = 5.6686(8), b = 11.569(1), c = 8.2449(9) Å, β = 90.14(1)°, and V = 540.7(1) Å 3 , and the space group is I2/m. The structure was refined in space groups Imma and I2/m. The room-pressure structure differs from that of anhydrous wadsleyite principally in the increased cation distances around O1, the non-silicate oxygen. The compression of a single crystal of this wadsleyite was measured up to 61.3(7) GPa at room temperature in a diamond anvil cell with neon as pressure medium by X-ray diffraction at Sector 13 at the Advanced Photon Source, Argonne National Laboratory. The experimental pressure range was far beyond the wadsleyite-ringwoodite phase-transition pressure at 525 km depth (17

Prevalence of problem alcohol use among patients attending primary care for methadone treatment

<p>Abstract</p> <p>Background</p> <p>Problem alcohol use is associated with adverse health outcomes among current or former heroin users and primary care is providing methadone treatment for increasing numbers of this population. This study aimed todetermine the prevalence of problem alcohol use among current or former heroin users attending primary care for methadone treatment and to describe the socio-demographic characteristics and health service utilisation characteristics associated with problem alcohol uses.</p> <p>Methods</p> <p>We conducted a cross sectional survey of patients sampled from a national database of patients attending general practice for methadone treatment. Participants were recruited by their general practitioner and data was collected using an interviewer-administered questionnaire, which included the Alcohol Use Disorders Identification Test ('AUDIT'), with a score of >7 considered abnormal (ie 'AUDIT positive cases') and socio-demographic, medical and substance use characteristics.</p> <p>Results</p> <p>We interviewed 196 patients (71% of those invited, 31% of those sampled, 11% of the national database). The median age was 32 years, 55% were hepatitis C positive, 79% had used illicit drugs in the previous month and 68% were male. Sixty-eight 'AUDIT positive' cases were identified (prevalence of 35%, 95% CI = 28–41%) and these were more likely to have attended a local Emergency Department in the previous year (p < 0.05) and less likely to have attended a hospital clinic in the previous year (p < 0.05). Twenty-seven (14%) scored 20 or higher indicating possible alcohol dependence.</p> <p>Conclusion</p> <p>Problem alcohol use has a high prevalence among current or former heroin users attending primary care for methadone treatment and interventions that address this issue should be explored as a priority. Interventions that address problem alcohol use in this population should be considered as a priority, although the complex medical and psychological needs of this population may make this challenging.</p