Miracle-dz/UniFAR-FTUs huggingface dataset:
Unit cell refinement from powder diffraction data: the use of regression diagnostics

Abstract We discuss the use of regression diagnostics combined with nonlinear least-squares to refine cell parameters from powder diffraction data, presenting a method which minimizes residuals in the experimentallydetermined quantity (usually 2θhkt or energy, Ehkt). Regression diagnostics, particularly deletion diagnostics, are invaluable in detection of outliers and influential data which could be deleterious to the regressed results. The usual practice of simple inspection of calculated residuals alone often fails to detect the seriously deleterious outliers in a dataset, because bare residuals provide no information on the leverage (sensitivity) of the datum concerned. The regression diagnostics which predict the change expected in each cell constant upon deletion of each observation (hkl reflection) are particularly valuable in assessing the sensitivity of the calculated results to individual reflections. A new computer program, implementing nonlinear regression methods and providing the diagnostic output, is described.
A BIOENERGETIC RATIONALE FOR COENZYME Q 10 SUPPLEMENTATION IN DISEASES CHARACTERIZED BY MITOCHONDRIAL DYSFUNCTION

Contrary to the random organization model of the respiratory chain, which was the prevailing view in the last decades of the past century (Hackenbrock et al 1986), evidence has now accumulated that a large proportion of the mitochondrial respiratory complexes in a variety of organisms is arranged in supramolecular assemblies called supercomplexes or respirasomes (Schagger and Pfeiffer, 2000; Acín-Pérez et al., 2008; Lenaz and Genova, 2010) (Fig. 1).
Extraction Characteristics of Selenium as Affected by Coal Fly Ash Type, Water Extractant, and Extraction Time

Selenium (Se) contamination can be a potential groundwater concern near un-lined coal ash landfills. Of all the Environmental Protection Agency’s priority and non-priority pollutants, Se has the narrowest concentration range considered beneficial and detrimental for aquatic and terrestrial organisms. The effects of ash type (i.e., fresh and weathered), water-extractant type (i.e., deionized water, rainwater, and groundwater), and extraction time (i.e., 2 and 6 hours) on Se, arsenic (As), and chromium (Cr) concentrations were investigated from Class C, subbituminous coal fly ash produced at the Flint Creek Power Plant (Benton County, AR). Water-extractable Se concentrations differed (p = 0.03) between ash types across water-extractants, but were unaffected (p > 0.05) by extraction times. Unexpectedly, fresh ash water-extractable Se concentrations were below minimum detection limits (i.e., 2.0 μg·L-1) for all treatments. In contrast, averaged over extraction times, the water-extractable Se concentration from weathered ash was greatest (p -1, compared to extraction with deionized water (57.6 μg·L-1). Selenite SeO32- was greater (p ·L-1) than in the weathered ash (0.70 mg·kg-1), while selenate SeO42- concentration was greater (p ·kg-1) than in fresh ash (0.48 mg·kg-1). Results from this study indicate that environmental weathering of Class C, subbituminous fly ash promotes oxidation of selenite, to the less toxic, but highly mobile selenate. The formation of hydrated ettringite [Ca6Al2(SO4)3(OH)12·26H2O] and calcium selenite (CaSeO3) likely acted as a sink for weathered ash selenite. Implications of this research include a better understanding of the past, present, and future environmental and health risk potential associated with the release of watersoluble Se, As, and Cr to aid in the development of sustainable fly ash management strategies.
Verification of a numerical ocean model of the Arabian Sea

A case study evaluating the predictive capability of an upper layer circulation model of the northwest Indian Ocean is presented. The model is a nonlinear, reduced gravity model incorporating realistic boundary geometry and is forced by observed winds. Model results for the fall of 1985 are compared with and evaluated against U.S. Navy bathythermograph and NOAA satellite data collected during August–November 1985. An assessment is made of the model's ability to simulate correctly the circulation structure. Ship wind observations are converted to wind stress for model forcing by a procedure developed by Legler and Navon (1988). The model is only moderately successful in reproducing the structure of the large, rather homogeneous pool of water located off the Arabian Peninsula in September. However, the model behaves remarkably well in the dynamically active region around Socotra. Major fronts and eddies frequently observed in the region during the transition period between the southwest and the northeast monsoon appear in the 1985 model results and compare well, both temporally and spatially, with the observational data. Thus given accurate wind information, the model appears highly effective in dynamically active regions and demonstrates potential as a useful prognostic tool for evaluation of the Arabian Sea when real time winds become available.
Polysymplectic reduction and the moduli space of flat connections

A polysymplectic structure is a vector-valued symplectic form, that is, a closed nondegenerate 2-form with values in a vector space. We first outline the polysymplectic Hamiltonian formalism with coefficients in a vector space , we then apply this framework to show that the moduli space of flat connections on a principal bundle over a compact manifold M is a polysymplectic reduction of the space of all connections by the action of the gauge group with respect to a natural polysymplectic structure with values in an infinite dimensional Banach space. As a consequence, the moduli space inherits a canonical H2(M)-valued presymplectic structure. Along the way, we establish various properties of polysymplectic manifolds. For example, a Darboux-type theorem asserts that every -symplectic manifold locally symplectically embeds in a standard polysymplectic manifold . We also show that both the Arnold conjecture and the well-known convexity properties of the classical moment map fail to hold in the polysymplectic setting.
Nest Site Selection and Breeding Success in an Expanding Species, the Cattle Egret Bubulcus ibis

Native to the Indo-African area, the Cattle Egret Bubulcus ibis is now a cosmopolitan species, still in great range expansion. The factors affecting breeding success of the species remain however poorly known, and here we investigate the breeding biology of the Cattle Egret in a new breeding population in the Soummam Valley (Petite Kabylie, Algeria). The installation chronology and nest site selection are described, and their effect on breeding success investigated. The nesting season lasted generally from the end of March to the end of July. Clutch size, number of hatched chicks and breeding success were low compared to other breeding areas in the Mediterranean. The first Cattle Egrets arriving at the colony in March selected the highest trees and the highest nest supports close to the trunk. With new arrivals during the course of the season, a gradual decrease was observed in the height of the nests which were progressively built away from the trunk. This selective behaviour allowed the first installed pairs to have a better breeding success. This phenomenon is discussed here within the framework of territoriality and the breeding advantages of being high ranking in the ‘territorial hierarchy’ for the individual.
A Consideration on Emotional Labour, Burnout Syndrome and Job Performance: The Case of Health Institutions

The aim of this study is to examine the relationship between emotional labour which is defined as workers’ exhibiting appropriate emotions designated by the organization towards the customers of the organization, and burnout syndrome and job performance. Accordingly, a field research based on survey method was conducted on the employees of a health institution operating in the province of Konya. As a result of the research, statistically significant relationship was found between emotional labour and burnout. In addition, it was found that job performance was decreasing as burnout levels were increasing and there was a statistically significant relationship between emotional labour level and job performance of workers. In addition, it was determined that there was a statistically significant relationship between the level of emotional labor and job performance of the employees. DOI: 10.5901/mjss.2013. v4n10p532
Tectonic history of the Kyrgyz South Tien Shan (Atbashi‐Inylchek) suture zone: The role of inherited structures during deformation‐propagation

Multimethod chronology was applied on intrusives bordering the Kyrgyz South Tien Shan suture (STSs) to decipher the timing of (1) formation and amalgamation of the suturing units and (2) intracontinental deformation that built the bordering mountain ranges. Zircon U/Pb data indicate similarities between the Tien Shan and Tarim Precambrian crust. Caledonian (∼440–410 Ma) and Hercynian (∼310–280 Ma) zircon U/Pb ages were found at the edge of the STSs, related to subduction and closure of the Turkestan Ocean and the formation of the suture itself. Permian‐Triassic (∼280–210 Ma) titanite fission track and zircon (U‐Th)/He data record the first signs of exhumation when the STSs evolved into a shear zone and the adjacent Tarim basin started to subside. Low‐temperature thermochronological (apatite fission track, zircon and apatite (U‐Th)/He) analyses reveal three distinct cooling phases, becoming younger toward the STSs center: (1) Jurassic‐Cretaceous cooling ages provide evidence that a Mesozoic South Tien Shan orogen formed as a response to the Cimmerian orogeny; (2) Early Paleogene (∼60–45 Ma) data indicate a renewed pulse of STSs reactivation during the Early Cenozoic; (3) Neogene ages constrain the onset of the modern Tien Shan mountain building to the Late Oligocene (∼30–25 Ma), which intensified during the Miocene (∼10–8 Ma) and Pliocene (∼3–2 Ma). The Cenozoic signals may reflect renewed responses to collisions at the southern Eurasian border (i.e., the Kohistan‐Dras and India‐Eurasia collisions). This progressive rejuvenation of the STSs demonstrates that deformation has not migrated steadily into the forelands, but was focused on pre‐existing basement structures.
Taxon‐ and vector‐specific variation in species richness and abundance during the transport stage of biological invasions

Recent empirical and statistical evidence suggest that propagule pressure (i.e., number of individuals introduced per event, and the number and frequency of events) and colonization pressure (i.e., number of species released per event, and the number and frequency of events) are of vital importance to invasion success. To explore possible changes in propagule and colonization pressure during the transport stage of the invasion process, we examine abundance and species richness of virus‐like particles, bacteria, diatoms, dinoflagellates, and invertebrates transported in commercial ships—a leading vector for global spread of aquatic nonindigenous species. We collected 154 ballast water samples from ships that had performed or were exempt from ballast water exchange (BWE) prior to arrival at Pacific and Atlantic ports in Canada and Laurentian Great Lakes ports. We found that abundance and species richness varied across taxa and regions, with ships arriving to the Atlantic region carrying the highest abundance of taxa. The highest species richness of invertebrates and diatoms was recorded from ships arriving to the Pacific, whereas the richest communities of dinoflagellates occurred in the Atlantic region. We also found that BWE had no effect on abundance or species richness of most taxa (dinoflagellates, diatoms, bacteria, and virus‐like particles), whereas the effect on abundance of invertebrates was not clear. Finally, longer voyages resulted in lower abundance of all taxa except dinoflagellates, and lower species richness of diatoms. Paradoxically, the elevated abundance and species richness of dinoflagellates following BWE suggest that this group could have enhanced invasion potential when ships manage ballast water by exchange.
Empirical Measurements of Small Unmanned Aerial Vehicle Co-Axial Rotor Systems

Small unmanned aerial vehicles (SUAV) are beginning to dominate the area of intelligence, surveillance, target acquisition and reconnaissance (ISTAR) in forward operating battlefield scenarios. Of particular interest are vertical take-off and landing (VTOL) variants. Within this category co-axial rotor designs have been adopted due to their inherent advantages of size and power to weight ratio. The inter-rotor spacing attribute of a co-axial rotor system appears to offer insight into the optimum design characteristic. The H/D ratio has been cited as a significant factor in many research papers, but to date has lacked an empirical value or an optimal dimensionless condition. In this paper the H/D ratio of a SUAV has been explored thoroughly, reviewing the performance of these systems at incremental stages, the findings from this study have shown that a range of H/D ratios in the region of (0.41-0.65) is advantageous in the performance of SUAV systems. This finding lends itself to the theory of inter-rotor spacing as a non-dimensionally similar figure, which cannot be applied across a spectrum of systems; this could be attributed to the viscous losses of flight at low Reynolds Numbers (< 50,000).
Changes in Patient Reported Nipple Sensation after Superomedial Pedicle Reduction Mammaplasty in the Early Postoperative Period

Background: The sensitivity of the nipple-areola complex (NAC) is important to patients undergoing reduction mammaplasty and is frequently altered postoperatively. Objective: Our aim was to evaluate NAC sensitivity as perceived by the patients, after superomedial pedicle reduction mammaplasty (SPRM), and its relationship to preoperative breast size, nipple to sternal-notch distance (NN), and total resection volume. Patients and Methods: We performed a retrospective review of a prospectively maintained database of SPRMs in an 8-year period. We identified 133 patients, with 48 (96 NACs) having documented postoperative NAC sensitivity reports in their early postoperative course. Pre and post-operative NN, bra size and specimen weight were analyzed. Results: Thirty-six patients (66 NACs-68.7%) reported unchanged NAC sensation, 9 patients (16 NACs-16.6%) reported decreased sensation, and 7 patients (12 NACs-12.5%) reported improved sensation. The average preoperative NN in the patients with decreased sensation was 33.8 cm with an average of 521.8 g resected. Patients with improved NAC sensation had average preoperative NN of 31 cm and an average 450.2 g resected. The preoperative NN in those patients with unchanged sensation was 32.6 cm with an average of 567.5 g resected. Preoperative cup size positively influenced nipple sensation (p=0.001) while resected breast volume (p=0.2) and postoperative cup size (p=0.76) had no influence on nipple sensation. Conclusion: Patients that underwent SPRM exhibited 81.2% preserved or improved NAC sensitivity. Preoperative NN, postoperative NN and final specimen weight did not impact NAC sensitivity. Larger preoperative bra size correlated with decreased postoperative NAC sensation after SPRM. David A. Mateo de Acosta Andino1, Brett Melnikoff2, Kelsey Kennedy3, Sarah Balladares3, Wilson Delaney3, Jorge de la Torre1 and Sherry S. Collawn1* 1Division of Plastic Surgery, University of Alabama at Birmingham, USA 2Department of Surgery, University of Alabama at Birmingham, USA 3Department of Surgery, University of Alabama at Birmingham School of Medicine, USA
Common Laboratory Findings with Clinical Correlation and Follow Up in Patients with Genetically Proven Myeloproliferative Neoplasms at Age 50 and Younger

Myeloproliferative neoplasms (MPNs) are clonal hematopoietic stem cell disorders with shared gene mutations, excess blood production and wide range of clinicopathological changes. JAK2, CALR and MPL gene mutation study has become one of the major criteria in the diagnosis of MPNs. This study focused on the common laboratory findings in patients with genetically proven MPNs at age 50 and younger with clinical correlation and follow up. There were 54 patients in this study, including 36 essential thrombocythemia (66.7%), 13 polycythemia vera (24.1%), 2 primary myelofibrosis (3.7%) and 3 MPN-unclassifiable (5.5%). The male/female ratio was 1/2 in patients with essential thrombocythemia, and about 1/1 in patients with other types of MPNs. Thrombocytosis and abnormal megakaryocytic proliferation were the most common findings in peripheral blood and bone marrow biopsy specimens, 88.9% and 96.8% respectively. Thrombotic event was recorded more often in patients with polycythemia vera than essential thrombocythemia, 30.1% and 19.4% respectively. Myelofibrosis, evolving acute myeloid leukemia and disease related mortality were seen only in patients with polycythemia vera, but not in patients with essential thrombocythemia. The findings in this study suggested that genetically induced abnormal megakaryocytic proliferation might play a critical role in the early pathogenesis of MPNs. With an increased risk for thrombotic event and disease progression, patients with polycythemia vera may need more follow up evaluation and therapeutic intervention than those with essential thrombocythemia. Anti-megakaryocytic therapy may be a future direction in the management of young MPN patients.
Long‐Term Impacts on Groundwater and Reductive Dechlorination Following Bioremediation in a Highly Characterized Trichloroethene DNAPL Source Area

High‐resolution soil and groundwater monitoring was performed to assess the long‐term impacts of bioremediation using bioaugmentation with a dechlorinating microbial consortium (and sodium lactate as the electron donor) in a well‐characterized trichloroethene (TCE) dense nonaqueous phase liquid (DNAPL) source area. Monitoring was performed up to 3.7 years following active bioremediation using a high‐density monitoring network that included several discrete interval multi‐level sampling wells. Results showed that despite the absence of lactate, lactate fermentation transformation products, or hydrogen, biogeochemical conditions remained favorable for the reductive dechlorination of chlorinated ethenes. In locations where soil data showed that TCE DNAPL sources persisted, local contaminant rebound was observed in groundwater, whereas no rebound or continuous decreases in chlorinated ethenes were observed in locations where DNAPL sources were treated. While ethene levels measured 3.7 years after active treatment suggested relatively low (2 to 30%) dechlorination of the parent TCE and daughter products, carbon stable isotope analysis showed that the extent of complete dechlorination was much greater than indicated by ethene generation and that the estimated first‐order rate constant describing the complete dechlorination of TCE at 3.7 years following active bioremediation was approximately 3.6 y–1. Overall, results of this study suggest that biological processes may persist to treat TCE for years after cessation of active bioremediation, thereby serving as an important component of remedial treatment design and long‐term attenuation.
Does Exchange Rate Volatility Depress Trade Flows? Evidence from Error-Correction Models

This paper examines the impact of exchange rate volatility on the trade flows of the G-7 countries in the context of a multivariate error-correction model. The error-correction models do not show any sign of parameter instability. The results indicate that the exchange rate volatility has a significant negative impact on the volume of exports in each of the G-7 countries. Assuming market participants are risk averse, these results imply that exchange rate uncertainty causes them to reduce their activities, change prices, or shift sources of demand and supply in order to minimize their exposure to the effects of exchange rate volatility. This, in turn, can change the distribution of output across many sectors in these countries. It is quite possible that the surprisingly weak relationship between trade flows and exchange rate volatility reported in several previous studies are due to insufficient attention to the stochastic properties of the relevant time series. Copyright 1993 by MIT Press.
Robust Speaker Localization Guided by Deep Learning-Based Time-Frequency Masking

Deep learning-based time-frequency (T-F) masking has dramatically advanced monaural (single-channel) speech separation and enhancement. This study investigates its potential for direction of arrival (DOA) estimation in noisy and reverberant environments. We explore ways of combining T-F masking and conventional localization algorithms, such as generalized cross correlation with phase transform, as well as newly proposed algorithms based on steered-response SNR and steering vectors. The key idea is to utilize deep neural networks (DNNs) to identify speech dominant T-F units containing relatively clean phase for DOA estimation. Our DNN is trained using only monaural spectral information, and this makes the trained model directly applicable to arrays with various numbers of microphones arranged in diverse geometries. Although only monaural information is used for training, experimental results show strong robustness of the proposed approach in new environments with intense noise and room reverberation, outperforming traditional DOA estimation methods by large margins. Our study also suggests that the ideal ratio mask and its variants remain effective training targets for robust speaker localization.
Simulation chamber studies on the NO3 chemistry of atmospheric aldehydes

Absolute reaction rate studies of NO3 radicals with 4 aldehydes were performed in the atmosphere simulation chamber SAPHIR at the Research Center Jülich. Rate coefficients (ethanal: 2.6 ± 0.5, propanal: 5.8 ± 1.0, butanal: 11.9 ± 1.4, benzaldehyde: 2.2 ± 0.6; in 10−15 cm3 s−1 at 300 K) were determined from measured concentration–time profiles of aldehydes and NO3 at near ambient conditions. The values for the aliphatic aldehydes are in good agreement with the most recent recommendations (IUPAC Subcommittee on Gas Kinetic Data Evaluation for Atmospheric Chemistry: Evaluated kinetic and photochemical data for atmospheric chemistry, 2005, available at http://www.iupac-kinetic.ch.cam.ac.uk). The measured concentration‐time profiles of precursor aldehydes, NO3, NO2, and of product aldehydes were compared to model calculations based on the MCM v3 (Jenkin et al., 2003; Saunders et al., 2003). Differences between measurements and model are attributed to a major interference of the GC system to peroxyacyl nitrates. In addition modifications to the rate constants in the MCM are suggested.
Crowdfunding in Vietnam : the impact of project and founder quality on funding success

This study seeks to give an analytical understanding of crowdfunding in Vietnam by examining the impact of project quality and founder quality on the success of crowdfunding. Based on a sample of 122 crowdfunding projects on Vietnamese platforms, three factors are found to drive successful fundraising. In particular, the presence of more quality signals and provision of additional founder information are associated with a higher probability of success. These findings confirm the role of quality in project outcomes. By having more project and founder quality indicators, the information asymmetry problem becomes less severe and investors have more trust to invest in a project. Further analyses conducted separately for two types of crowdfunding show that the main results hold for the equity-based subsample. Meanwhile, in reward-based crowdfunding, the impact on success becomes weaker for project quality signals and insignificant for founder quality signals. The explanation for this difference lies in both the average amount of investment involved and the degree of riskiness of the specific crowdfunding type.