948 resultados para Hybrid functionals (B3LYP), strongly correlated systems, FeSe, Donor-Acceptor molecules


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OBJECTIVE: To assess refractive and biometric changes 1 week after discontinuation of lens wear in subjects who had been wearing orthokeratology (OK) contact lenses for 2 years. METHODS: Twenty-nine subjects aged 6 to 12 years and with myopia of -0.75 to -4.00 diopters (D) and astigmatism of ≤1.00 D participated in the study. Measurements of axial length and anterior chamber depth (Zeiss IOLMaster), corneal power and shape, and cycloplegic refraction were taken 1 week after discontinuation and compared with those at baseline and after 24 months of lens wear. RESULTS: A hyperopic shift was found at 24 months relative to baseline in spherical equivalent refractive error (+1.86±1.01 D), followed by a myopic shift at 1 week relative to 24 months (-1.93±0.92 D) (both P<0.001). Longer axial lengths were found at 24 months and 1 week in comparison to baseline (0.47±0.18 and 0.51±0.18 mm, respectively) (both P<0.001). The increase in axial length at 1 week relative to 24 months was statistically significant (0.04±0.06 mm; P=0.006). Anterior chamber depth did not change significantly over time (P=0.31). Significant differences were found between 24 months and 1 week relative to baseline and between 1-week and 24-month visits in mean corneal power (-1.68±0.80, -0.44±0.32, and 1.23±0.70 D, respectively) (all P≤0.001). Refractive change at 1 week in comparison to 24 months strongly correlated with changes in corneal power (r=-0.88; P<0.001) but not with axial length changes (r=-0.09; P=0.66). Corneal shape changed significantly between the baseline and 1-week visits (0.15±0.10 D; P<0.001). Corneal shape changed from a prolate to a more oblate corneal shape at the 24-month and 1-week visits in comparison to baseline (both P≤0.02) but did not change significantly between 24 months and 1 week (P=0.06). CONCLUSIONS: The effects of long-term OK on ocular biometry and refraction are still present after 1-week discontinuation of lens wear. Refractive change after discontinuation of long-term OK is primarily attributed to the recovery of corneal shape and not to an increase in the axial length.

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We report an experimental characterisation examining the impact of differing 50GHz neighbouring modulation formats and bit rates on the performance of 43Gb/s P-DPSK over 1300km of SSMF and LEAF types. Performance is shown to be robust for hybrid P-DPSK and OOK systems. © VDE VERLAG GMBH.

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Aim: To examine the academic literature on the grading of corneal transparency and to assess the potential use of objective image analysis. Method: Reference databases of academic literature were searched and relevant manuscripts reviewed. Annunziato, Efron (Millennium Edition) and Vistakon-Synoptik corneal oedema grading scale images were analysed objectively for relative intensity, edges detected, variation in intensity and maximum intensity. In addition, corneal oedema was induced in one subject using a low oxygen transmissibility (Dk/t) hydrogel contact lens worn for 3 hours under a light eye patch. Recovery from oedema was monitored over time using ultrasound pachymetry, high and low contrast visual acuity measures, bulbar hyperaemia grading and transparency image analysis of the test and control eyes. Results: Several methods for assessing corneal transparency are described in the academic literature, but none have gained widespread in clinical practice. The change in objective image analysis with printed scale grade was best described by quadratic parametric or sigmoid 3-parameter functions. ‘Pupil image scales’ (Annunziato and Vistakon-Synoptik) were best correlated to average intensity; however, the corneal section scale (Efron) was strongly correlated to variations in intensity. As expected, patching an eye wearing a low Dk/t hydrogel contact lens caused a significant (F=119.2, P<0.001) 14.3% increase in corneal thickness, which gradually recovered under open eye conditions. Corneal section image analysis was the most affected parameter and intensity variation across the slit width, in isolation, was the strongest correlate, accounting for 85.8% of the variance with time following patching, and 88.7% of the variance with corneal thickness. Conclusion: Corneal oedema is best determined objectively by the intensity variation across the width of a corneal section. This can be easily measured using a slit-lamp camera connected to a computer. Oedema due to soft contact lens wear is not easily determined over the pupil area by sclerotic scatter illumination techniques.

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Sulfonic acid functionalised periodic mesoporous organosilicas (PrSO3 H-PMOs) with tunable hydrophobicity were synthesised via a surfactant-templating route, and characterised by porosimetry, TEM, XRD, XPS, inverse gas chromatography (IGC) and ammonia pulse chemisorption. IGC reveals that incorporation of ethyl or benzyl moieties into a mesoporous SBA-15 silica framework significantly increases the non-specific dispersive surface energy of adsorption for alkane adsorption, while decreasing the free energy of adsorption of methanol, reflecting increased surface hydrophobicity. The non-specific dispersive surface energy of adsorption of PMO-SO3H materials is strongly correlated with their activity towards palmitic acid esterification with methanol, demonstrating the power of IGC as an analytical tool for identifying promising solid acid catalysts for the esterification of free fatty acids. A new parameter [-ΔGCNP-P], defined as the per carbon difference in Gibbs free energy of adsorption between alkane and polar probe molecules, provides a simple predictor of surface hydrophobicity and corresponding catalyst activity in fatty acid esterification. © 2014 Elsevier B.V.

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New polymerisable photoluminescent octahedral rhenium cluster complexes trans-[{Re6Q8}(TBP)4(VB)2] (Q = S or Se; TBP-p-tert-butylpyridine; VB-vinyl benzoate) have been synthesised, characterised and used to construct rhenium cluster-organic polymer hybrid materials. These novel polymer systems are solution-processable and the rhenium clusters retain their photoluminescent properties within the polymer environment. Notably, when the rhenium cluster complexes are incorporated into the matrix of the electroluminescent polymer poly(N-vinylcarbazole), the resultant cluster polymer hybrid combined properties of both components and was used successfully in the construction of a polymer light emitting diode (PLED). These prototype devices are the first PLEDs to incorporate octahedral rhenium clusters and provide the first direct evidence of the electroluminescent properties of rhenium clusters and indeed, to the best of our knowledge, of any member of the family of 24-electron hexanuclear cluster complexes of molybdenum, tungsten or rhenium.

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We explored the role of modularity as a means to improve evolvability in populations of adaptive agents. We performed two sets of artificial life experiments. In the first, the adaptive agents were neural networks controlling the behavior of simulated garbage collecting robots, where modularity referred to the networks architectural organization and evolvability to the capacity of the population to adapt to environmental changes measured by the agents performance. In the second, the agents were programs that control the changes in network's synaptic weights (learning algorithms), the modules were emerged clusters of symbols with a well defined function and evolvability was measured through the level of symbol diversity across programs. We found that the presence of modularity (either imposed by construction or as an emergent property in a favorable environment) is strongly correlated to the presence of very fit agents adapting effectively to environmental changes. In the case of learning algorithms we also observed that character diversity and modularity are also strongly correlated quantities. © 2014 Springer Science+Business Media New York.

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Dry eye disease is a common clinical condition whose aetiology and management challenges clinicians and researchers alike. Practitioners have a number of dry eye tests available to clinically assess dry eye disease, in order to treat their patients effectively and successfully. This thesis set out to determine the most relevant and successful key tests for dry eye disease diagnosis/ management. There has been very little research on determining the most effective treatment options for these patients; therefore a randomised controlled study was conducted in order to see how different artificial treatments perform compared to each other, whether the preferred treatment could have been predicted from their ocular clinical assessment, and if the preferred treatment subjectively related to the greatest improvement in ocular physiology and tear film stability. This research has found: 1. From the plethora of ocular the tear tests available to utilise in clinical practice, the tear stability tests as measured by the non-invasive tear break (NITBUT) up time and invasive tear break up time (NaFL TBUT) are strongly correlated. The tear volume tests are also related as measured by the phenol red thread (PRT) and tear meniscus height (TMH). Lid Parallel Conjunctival Folds (LIPCOF) and conjunctival staining are significantly correlated to one another. Symptomology and osmolarity were also found to be important tests in order to assess for dry eye. 2. Artificial tear supplements do work for ocular comfort, as well as the ocular surface as observed by conjunctival staining and the reduction LIPCOF. There is no strong evidence of one type of artificial tear supplement being more effective than others, and the data suggest that these improvements are more due to the time than the specific drops. 3. When trying to predict patient preference for artificial tears from baseline measurements, the individual category of artificial tear supplements appeared to have an improvement in at least 1 tear metric. Undoubtedly, from the study the patients preferred artificial tear supplements’ were rated much higher than the other three drops used in the study and their subjective responses were statistically significant than the signs. 4. Patients are also willing to pay for a community dry eye service in their area of £17. In conclusion, the dry eye tests conducted in the study correlate with one another and with the symptoms reported by the patient. Artificial tears do make a difference objectively as well as subjectively. There is no optimum artificial treatment for dry eye, however regular consistent use of artificial eye drops will improve the ocular surface.

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Online enquiry communities such as Question Answering (Q&A) websites allow people to seek answers to all kind of questions. With the growing popularity of such platforms, it is important for community managers to constantly monitor the performance of their communities. Although different metrics have been proposed for tracking the evolution of such communities, maturity, the process in which communities become more topic proficient over time, has been largely ignored despite its potential to help in identifying robust communities. In this paper, we interpret community maturity as the proportion of complex questions in a community at a given time. We use the Server Fault (SF) community, a Question Answering (Q&A) community of system administrators, as our case study and perform analysis on question complexity, the level of expertise required to answer a question. We show that question complexity depends on both the length of involvement and the level of contributions of the users who post questions within their community. We extract features relating to askers, answerers, questions and answers, and analyse which features are strongly correlated with question complexity. Although our findings highlight the difficulty of automatically identifying question complexity, we found that complexity is more influenced by both the topical focus and the length of community involvement of askers. Following the identification of question complexity, we define a measure of maturity and analyse the evolution of different topical communities. Our results show that different topical communities show different maturity patterns. Some communities show a high maturity at the beginning while others exhibit slow maturity rate. Copyright 2013 ACM.

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Doctors and nurses working at the accident and emergency (A&E), and intensive care departments are at risk of burnout. They often spend substantial time in intense interactions with other people, centered on patients? health problems (physical, psychological and social) that may lead to feelings of anger, anxiety and frustration, and eventually to burnout. Burnout is a syndrome of emotional exhaustion, depersonalization and reduced personal accomplishment (Maslach & Jackson, 1981) The purpose of this chapter is to assess work stressors, burnout and stress-coping mechanisms among doctors and nurses at the A&E and intensive care departments. A quantitative design using the survey approach was used to collect data from a sample of 200 participants with a response rate of 71% (n=154) Work stressors were associated with burnout in both doctors and nurses. Workload was the most salient work stressor in the sample. Nurses experienced more stress (M=1.5, SD=0.4) than doctors (M=1.2, SD=0.4) in all the work stressor variables examined. The A&E department was reported as more stressful than the intensive care department. Avoidance-oriented and task-oriented coping were the most and the least frequently reported coping strategies respectively. Additionally, only emotion-oriented coping strategy was significantly different between doctors and nurses, and this strategy was also significantly positively correlated with all the variables in the adapted nursing stress scale, and the three burnout variables. Death and dying was most strongly correlated with emotion-oriented coping. This chapter provides an assessment of stress, burnout and coping experienced by both doctors and nurses within the A&E and intensive care departments. Methods that may mitigate stress in these environments may be adequate staffing, supportive management, stress management programs, as well as improvement in communication strategies between doctors and nurses.

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The spectral quality of radiation in the understory of two neotropical rainforests, Barro Colorado Island in Panama and La Selva in Costa Rica, is profoundly affected by the density of the canopy. Understory light conditions in both forests bear similar spectral characteristics. In both the greatest changes in spectral quality occur at low flux densities, as in the transition from extreme shade to small light flecks. Change in spectral quality, as assessed by the red: far-red (R:FR) ratio, the ratio of radiant energy 400-700: 300-1100 nm, and the ratio of quantum flux density 400-700:300-1100 nm, is strongly correlated with a drop in percentage of solar radiation as measurable by a quantum radiometer. Thus, by knowing the percentage of photosynthetic photon flux density (PPFD) in relation to full sunlight, it is possible to estimate the spectral quality in the forest at a particular time and microsite.

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The purpose of this research project was to contribute to the understanding of chloroplast movement in plants. Chloroplast movement in leaves from twenty tropical plant species ranging from cycads to monocots and varying in shade tolerance was examined by measuring changes in transmittance following 30 min. of exposure to white light at 1000 μmol m−2 s −1 in the wavelength range of 400–700 nm (photosynthetically active radiation, PAR). Leaf anatomical characteristics were also measured. Eighteen species increased significantly in transmittance (Δ T) at this level of illumination. ^ Chloroplast movement was significantly correlated with palisade cell width suggesting that cell dimensions are a significant constraint on chloroplast movement in the species examined. In addition, Δ T values were strongly correlated with values of an index of shade tolerance. ^ To further examine the relationship between palisade width and chloroplast movement, additional studies were conducted with a tropical aroid vine, Scindapsus aureus Schott. Scindapsus plants were grown under three different light treatments: 63% (control), 9.0% and 2.7% of full sunlight. Under these growing conditions plants produced markedly different palisade cell widths. Palisade cell width was again found to be correlated with transmittance changes. In addition, the observed increases in transmittance following exposure to the above illumination condition were correlated with absorbance of PAR. Fluorescence studies demonstrated that chloroplast movement helps protect Scindapsus aureus from the effects of photoinhibition when it is exposed to light at a higher intensity relative to the intensity of its normal environment. Ratios of variable fluorescence (Fv) to maximal fluorescence (Fm ) were higher in plants exposed to high light when chloroplasts moved than in plants where chloroplasts did not. ^ To further explore the role of chloroplast movement, studies were conducted to determine if transmittance changes could be induced in ten xerophytes at (1000 μmol m−2 s−1), as well as two stronger light intensities (1800 μmol m−2 s−1 and 2200 μmol m−2 s −1). Transmittance changes in the ten xerophytes were dependent upon the illumination intensity; nine out of the ten xerophytes changed in transmittance at 1800 μmol m−2 s−1. For the other two intensity levels, only three out of the ten xerophytes tested exhibited transmittance changes, and for two species, a negative Δ T value was obtained at 1000 μmol m−2 s−1 . No relationship was found between cell dimensions and chloroplast movement, although all species had large enough chlorenchyma cells to allow such movements. ^ The results of the study clearly show that in non-xerophytes, palisade cell anatomy is a strong constraint on chloroplast movement. This relationship may be the basis for the relationship between chloroplast movement and shade tolerance. Although absorbance changes are relatively small, chloroplast movement was clearly shown to reduce photoinhibition. ^

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The primary purpose of this study was to investigate agreement among five equations by which clinicians estimate water requirements (EWR) and to determine how well these equations predict total water intake (TWI). The Institute of Medicine has used TWI as a measure of water requirements. A secondary goal of this study was to develop practical equations to predict TWI. These equations could then be considered accurate predictors of an individual’s water requirement. ^ Regressions were performed to determine agreement between the five equations and between the five equations and TWI using NHANES 1999–2004. The criteria for agreement was (1) strong correlation coefficients between all comparisons and (2) regression line that was not significantly different when compared to the line of equality (x=y) i.e., the 95% CI of the slope and intercept must include one and zero, respectively. Correlations were performed to determine association between fat-free mass (FFM) and TWI. Clinically significant variables were selected to build equations for predicting TWI. All analyses were performed with SAS software and were weighted to account for the complex survey design and for oversampling. ^ Results showed that the five EWR equations were strongly correlated but did not agree with each other. Further, the EWR equations were all weakly associated to TWI and lacked agreement with TWI. The strongest agreement between the NRC equation and TWI explained only 8.1% of the variability of TWI. Fat-free mass was positively correlated to TWI. Two models were created to predict TWI. Both models included the variables, race/ethnicity, kcals, age, and height, but one model also included FFM and gender. The other model included BMI and osmolality. Neither model accounted for more than 28% of the variability of TWI. These results provide evidence that estimates of water requirements would vary depending upon which EWR equation was selected by the clinician. None of the existing EWR equations predicted TWI, nor could a prediction equation be created which explained a satisfactory amount of variance in TWI. A good estimate of water requirements may not be predicted by TWI. Future research should focus on using more valid measures to predict water requirements.^

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We examined periphyton along transects in five Everglades marshes and related compositional and functional aspects to phosphorus(P ) gradients caused by enriched inflows. Results were compared to those of a P-addition experiment in a pristine Everglades marsh. While the water total P (TP) concentration was not related to P load in the marshes or experiment the concentration of TP in periphyton was strongly correlated with the distance from the P source. Increased P concentration in periphyton was associated with a loss of biomass,p articularly of the calcifying mat-forming matrix, regardless of the growth form of the periphyton (epiphytic, floating,or epilithic). Diatom species composition was also strongly related to P availability, but the TP optima of many species varied among marshes. Enriched periphyton communities were found 14 km downstream of P inputs to one marsh that has been receiving enhanced P loads for decades, where other studies using different biotic indicators show negligible change in the same marsh. Although recovery trajectories are unknown, periphyton indicators should serve as excellent metrics for the progression or amelioration of P-related effects in the Everglades.

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Many coastal wetland communities of south Florida have been cut off from freshwater sheet flow for decades and are migrating landward due to salt-water encroachment. A paleoecological study using mollusks was conducted to assess the rates and effects of salt-water encroachment due to freshwater diversion and sea level rise on coastal wetland basins in Biscayne National Park. Modem mollusk distributions taken from 226 surface sites were used to determine local habitat affinities which were applied to infer past environments from mollusk distributions found in soil cores. Mollusks species compositions were found to be strongly correlated to habitat and salinity, providing reliable predictions. Wetland soils were cored to bedrock at 36locations. Mollusks were abundant throughout the cores and 15 of the 20 most abundant taxa served as bioindicators of salinity and habitat. Historic accounts coupled with mollusk based inference models indicate (1) increasing salinity levels along the coast and encroaching into the interior with mangroves communities currently migrating westward, (2) replacement of a mixed graminoid-mangrove zone by a dense monoculture of dwarf mangroves, and (3) a confinement of freshwater and freshwater graminoid marsh to landward areas between urban developments and drainage canals.

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We developed diatom-based prediction models of hydrology and periphyton abundance to inform assessment tools for a hydrologically managed wetland. Because hydrology is an important driver of ecosystem change, hydrologic alterations by restoration efforts could modify biological responses, such as periphyton characteristics. In karstic wetlands, diatoms are particularly important components of mat-forming calcareous periphyton assemblages that both respond and contribute to the structural organization and function of the periphyton matrix. We examined the distribution of diatoms across the Florida Everglades landscape and found hydroperiod and periphyton biovolume were strongly correlated with assemblage composition. We present species optima and tolerances for hydroperiod and periphyton biovolume, for use in interpreting the directionality of change in these important variables. Predictions of these variables were mapped to visualize landscape-scale spatial patterns in a dominant driver of change in this ecosystem (hydroperiod) and an ecosystem-level response metric of hydrologic change (periphyton biovolume). Specific diatom assemblages inhabiting periphyton mats of differing abundance can be used to infer past conditions and inform management decisions based on how assemblages are changing. This study captures diatom responses to wide gradients of hydrology and periphyton characteristics to inform ecosystem-scale bioassessment efforts in a large wetland.