bluuebunny/crossref_metadata_2025_split huggingface dataset:
Atomistic and Coarse-Grained Modeling Strategies for Thin Film Nucleation and Growth on Quasicrystalline Surfaces
Authors: Evans James W. , Thiel Patricia A. , Ünal Bariş 
Published: May 2013

ABSTRACTStrategies are described for modeling the kinetics of non-equilibrium film growth during deposition of metals on quasicrystalline substrates. We review previous atomistic-level lattice-gas modeling and Kinetic Monte Carlo simulation for pseudomorphic (or commensurate) submonolayer growth based on a “disordered or irregular bond-network” (DBN) of neighboring adsorption sites. We describe extensions to treat strain effects and multilayer growth, and discuss a type of commensurate-incommensurate transition expected around 2-3 layers. We also describe a coarse-grained “step dynamics” modeling which tracks the dynamics of island edges in each layer rather than individual atoms. Step dynamics models can also include key aspects of the physics such as layer-dependent energetics, including quantum size effects, and strain effects.
Thermal transport properties of decagonal quasicrystals and their approximants
Authors: Popčević Petar , Bilušić Ante , Velebit Kristijan , Smontara Ana 
Published: May 2013

ABSTRACTTransport properties (thermal conductivity, electrical resistivity and thermopower) of decagonal quasicrystald-AlCoNi, and approximant phases Y-AlCoNi, o-Al13Co4, m-Al13Fe4, m-Al13(Fe,Ni)4and T-AlMnFe have been reviewed. Among all presented alloys the stacking direction (periodic for decagonal quasicrystals) is the most conductive one for the charge and heat transport, and the in/out-of-plane anisotropy is much larger than the in-plane anisotropy. There is a strong relationship between periodicity length along stacking direction and anisotropy of transport properties in both quasicrystals and their approximants suggesting a decrease of the anisotropy with increasing number of stacking layers.
3-sensor array for hand held breath diagnostic tool
Authors: Gouma P. , Sood S. 
Published: May 2013

ABSTRACTPolymorphic transitions in nanocrystalline metal oxides leads to structural transformations resulting in differing properties at varying operating temperatures. Nanocrystalline MoO3 transforms from a metastable monoclinic phase to stable orthorhombic phase when heat treated in the temperature range of 420C to 500C. Gas sensing results have shown that at 420C MoO3 is sensitive to Isoprene, a 450C it shows sensitivity to CO2 and to ammonia at 500C. DSC data has proved that MoO3 changes crystal structure to monoclinic at 420C and to orthorhombic at about485C. This confirms a correlation between structure and gas sensing properties of MoO3. Using this knowledge a hand-held diagnostic tool is developed to monitor specific breath gases which can be biomarkers for diseases. The device consists of three sensors, the read-out gives a real time resistance value for each resistive sensor which is stored in a microprocessor. This is a one of a kind handheld tool for disease detection using ceramic sensors as detectors for gases which are known to be biomarkers for diseases.
Iodine-Rich Biocidal Reactive Materials
Authors: Johnson Curtis E. , Higa Kelvin T. 
Published: May 2013

ABSTRACTThe objectives of this work are to prepare and characterize iodine-rich thermites and reactive materials for potential application in bio-agent defeat. Iodine-rich compositions were prepared using metal iodate oxidizers in combination with aluminum fuel. Higher iodine contents were achieved using iodine-rich additives, tetraiodoethylene and tin tetraiodide. Reactivity during rapid combustion was evaluated for both nanoscale and micron-scale materials. The nanoscale materials were evaluated directly using a spark-initiated pan dent test. The micron-scale materials were mixed with 50% of nano Al/MoO3 and also evaluated with the pan dent test. The results for the mixed material were shown to fit well to a linear combination of the expected dent for each component, based on a rapid reaction. Results of the pan dent test were used to down-select micron thermites for further testing. Bismuth iodate was synthesized by precipitation from nitric acid solutions. The average particle size was controlled by the addition rate, and sizes included 95 nm (amorphous structure), and 330 nm and 3 micron (both crystalline). Additional sizes were produced by ball milling the 3 micron material, giving 1 micron and 350 nm sizes. Fluoropolymers were included in some compositions to provide additional biocidal products, namely HF, that could be produced from reaction of AlF3 product with water.
Role of CSL Boundaries on Displacement Cascades in β-SiC
Authors: Nandi Prithwish K. , Annamareddy V. Ajay , Eapen Jacob 
Published: May 2013

ABSTRACTMolecular dynamics (MD) simulations are carried out to understand the mechanisms of damage production and recovery near grain boundaries in β-SiC under neutron irradiation. Our investigations show that the damage generated by radiation is reduced by the presence of a ∑9{122}[110] tilt grain boundary. Directional displacements which are averaged over an isoconfigurational ensemble are used to characterize the statistical nature of atomic mobility near the grain boundary.
Atomic Force Microscopy Based Electric Modes in Characterization of Organic Photovoltaics
Authors: Wall Craig , Magonov Sergei , Belikov Sergey , Alexander John 
Published: May 2013

ABSTRACTCapabilities of Atomic Force Microscopy in different modes including Electric Force Microscopy and Kelvin Force Microscopy are reviewed and illustrated on several samples including organic photovoltaics (P3HT/PCBM, PEDOT:PSS). Compositional mapping of these blends is enhanced with a combined use of the modes, and variations of local electric properties are detected down to the nanometer scale. The revealed morphology will assist in development of comprehensive models accounting for the structure-property relationship in solar cells and related devices.
Discordances in Estrogen Receptor Status, Progesterone Receptor Status, and HER2 Status Between Primary Breast Cancer and Metastasis
Authors: Curtit Elsa , Nerich Virginie , Mansi Laura , Chaigneau Loic , Cals Laurent , Villanueva Cristian , Bazan Fernando , Montcuquet Philippe , Meneveau Nathalie , Perrin Sophie , Algros Marie-Paule , Pivot Xavier 
Published: May 2013

Abstract

Background.
The primary aim of this retrospective study was to investigate intraindividual correlation of estrogen receptor (ER) status, progesterone receptor (PR) status, and HER2 status between primary breast cancer and metastatic breast cancer (mBC). Secondary aims included patients' characteristics, overall survival, feasibility of histopathological evaluation in the metastatic setting, and predictive factors associated with receptors status discordance.

Methods.
Patients with either biopsy of metastatic relapse or surgery of metastasis were identified. Demographics, tumor characteristics, treatment characteristics, and ER, PR, and HER2 statuses were retrospectively obtained in patients' reports. Receptors statuses were assessed by immunohistochemistry with a positivity cutoff of more than 10% for ER and PR. HER2 was considered as positive if overexpression was scored at 3+ in immunohistochemistry or if amplification ratio was &gt;2 in fluorescent in situ hybridization.

Results.
From a cohort of 489 patients with mBC, 269 patients had histopathological samples of metastatic relapse. Histopathological analysis of the specimen confirmed the diagnosis of mBC in 235 patients. Discordance in one or more receptors between primary breast cancer and mBC was found in 99 patients (42%). A switch in receptor status was identified for ER in 17% of tumors (p = 4 × 10−3), PR in 29% of cancers (p &lt; 4 × 10−4), and HER2 in 4% of lesions (p = .16). Exposure to chemotherapy and to anthracycline-based chemotherapy was statistically associated with switches in ER status. Seven (2%) second malignancies and three benign diseases (1%) were diagnosed.

Conclusions.
This study confirms that discordance in ER and PR receptor expression between the primary breast tumor and the corresponding metastatic lesions is high, whereas HER2 status remains relatively constant. Chemotherapy, and specifically anthracycline-based chemotherapy, was associated with switch in ER status. These results were obtained in a selected population of patients; further studies are warranted to confirm these data and to determine the interest of systematic rebiopsy in the metastatic setting.
An Evidenced‐Based Scoring Index to Determine the Periodontal Prognosis on Molars
Authors: Miller Preston D. , McEntire Mark L. , Marlow Nicole M. , Gellin Robert G. 
Published: May 2013

Background: This retrospective study evaluates and assigns scores to six prognostic factors and derives a quantitative scoring index used to determine the periodontal prognosis on molar teeth.Methods: Data were gathered on 816 molars in 102 patients with moderate‐to‐severe periodontitis. The six factors evaluated (age, probing depth, mobility, furcation involvement, smoking, and molar type) were assigned a numeric score based on statistical analysis. The sum of the scores for all factors was used to determine the prognosis score for each molar. Only patients with all first and second molars at the initial examination qualified for the study. All patients were evaluated a minimum of 15 years after treatment.Results: The post‐treatment time ranged from 15 to 40 years and averaged 24 years. When the study was completed, 639 molars survived (78%), and, of those surviving molars, 588 survived and were periodontally healthy (92%). In molars with lower scores (scores 1‐3), the 15‐year survival rates ranged from 98% to 96%. In molars with middle scores (scores 4‐6), the 15‐year survival rates ranged from 95% to 90%, and, for molars with higher scores (scores 7‐10), the survival rates ranged from 86% to 67%.Conclusion: The present results indicate that the periodontal prognosis of molars diagnosed with moderate‐to‐severe periodontitis can be calculated using an evidence‐based scoring index.
Evaluation of Healing Following Tooth Extraction With Ridge Preservation Using Cortical Versus Cancellous Freeze‐Dried Bone Allograft
Authors: Eskow Adam J. , Mealey Brian L. 
Published: May 2013

Background: The objective of this study is to compare histologic and clinical healing following tooth extraction and ridge preservation with either cortical or cancellous freeze‐dried bone allograft (FDBA) in non‐molar extraction sockets.Methods: Forty patients requiring implant placement were enrolled, with 20 patients randomly assigned to each group (cortical versus cancellous FDBA). All of the allograft materials were obtained from the same donor to control for variability between donors and processing. Patients returned after 17 to 21 weeks (average: 18.2 weeks), and a 2‐mm‐diameter core biopsy was obtained before implant placement. Histomorphometric analysis was performed to determine percentage of new bone formation, residual graft material, and non‐mineralized connective tissue (CT)/other material. Clinical measurements of ridge dimensions were taken at the time of tooth extraction and again at implant placement.Results: There was no significant difference in new bone formation between the cortical and cancellous FDBA groups (P = 0.857). A significantly greater percentage of residual graft material was detected in the cortical FDBA group compared with the cancellous FDBA group (P = 0.019). A significantly greater percentage of non‐mineralized CT/other material was found in the cancellous FDBA group compared with the cortical FDBA group (P = 0.040). The only significant clinical difference between groups was a greater loss of lingual ridge height in the cancellous group.Conclusions: This is the first reported study to compare the histologic changes following tooth extraction with ridge preservation in humans using cortical versus cancellous FDBA. There were no differences in the percentage of new bone formation between the groups.
Study on the Application of the Tie-Line-Table-Look-Up-Based Methods to Flash Calculations in Compositional Simulations
Authors: Yan Wei , Belkadi Abdelkrim , Michelsen Michael L. , Stenby Erling H. 
Published: May 2013

Summary
Flash calculation can be a time-consuming part in compositional reservoir simulations, and several approaches have been proposed to speed it up. One recent approach is the shadow-region method that reduces the computation time mainly by skipping stability analysis for a large portion of the compositions in the single-phase region. In the two-phase region, a highly efficient Newton-Raphson algorithm can be used with the initial estimates from the previous step. Another approach is the compositional-space adaptive-tabulation (CSAT) approach, which is based on tie-line table look-up (TTL). It saves computation time by replacing rigorous phase-equilibrium calculations with the stored results in a tie-line table whenever the new feed composition is on one of the stored tie-lines within a certain tolerance. In this study, a modified version of CSAT, named the TTL method, has been proposed to investigate if approximation by looking up a tie-line table can save flash-computation time in the two-phase region. The number of tie-lines stored for comparison and the tolerance set for accepting the feed composition are the key parameters in this method because they will influence the simulation speed and the accuracy of simulation results. We also proposed the tie-line distance-based approximation (TDBA) method, an alternative method to TTL, to obtain approximate flash results in the two-phase region. The method uses the distance to a previous tie-line in the same grid-block to determine whether the approximation should be made. Comparison between the shadow-region approach and the approximation approach, including TTL and TDBA, has been made with a slimtube simulator by which the simulation temperature and the simulation pressure are set constant. It is shown that TDBA can significantly improve the speed in the two-phase region. In contrast, TTL, even with a precalculated tie-line table, is not so advantageous compared with an efficient implementation of rigorous flash. Furthermore, we implemented TDBA in a compositional streamline simulator to apply TDBA to scenarios with pressure variation across the reservoir. We also discussed how to extend TDBA to the general situation in which pressures in grid-blocks are updated dynamically.
A Simple and Reliable Approach for the Estimation of the Joule-Thomson Coefficient of Reservoir Gas at Bottomhole Conditions
Authors: Pinto Mario , Karale Chaitanya , Das Prasanta 
Published: May 2013

Summary
With the advent of distributed temperature sensing (DTS), accurate and continuous monitoring of the wellbore-temperature profile is possible, which helps identify fluid flow from each reservoir layer. The reliable prediction of fluid flow during large drawdown requires an accurate value of the Joule-Thomson coefficient (JTC), which is a measure of the change in temperature (T) of a fluid for a given change in pressure (P) at constant enthalpy. The JTC also serves as an input for the interpretation of temperature-log data, which can be used to identify water- or gas-entry locations. Furthermore, an accurate JTC value is important when modeling the thermal response of the reservoir.
The equation-of-state (EOS) method can be used to predict the JTC of reservoir gas. However, this might not be an easy task because of the complexity involved. In contrast, a simple and reliable method to evaluate the JTC for reservoir gas is presented. Conditions under which this method is applicable are discussed in detail by referring to a typical phase diagram. In addition, a discretized approach to calculate the temperature change during a throttling process with the JTC is also presented.
The methodology has been validated at three levels with experimental data available in the literature—comparison of experimental vs. predicted JTC values of mixtures, comparison of experimentally observed vs. predicted temperature drop for a given pressure drop with laboratory-scale data, and comparison of experimentally observed vs. predicted temperature drop for a given drawdown with actual reservoir data. A good match with experimental data was obtained within all three areas, demonstrating the reliability of the methodology.
Experimental Investigations Into the Performance of a Flat-Rheology Water-Based Drilling Fluid
Authors: Xu Lin , Xu Ming-biao , Zhao Lin , Wen Shou-cheng , Liu Wei-hong , Xu Jie , You Fu-chang , Gong Chen 
Published: May 2013

Summary
The aqueous drilling fluid (AF) with unique flat rheology (FR), as a potential alternative to nonaqueous fluids (NAFs), is meaningful in deepwater operations. In this work, a novel FR water-based mud (WBM) was presented. An evaluation of FR profiles was conducted on the designed system by detecting the typical rheological data at a certain temperature and pressure range. The results showed that for the newly developed WBM, in addition to typical FR parameters [i.e., 6- and 3- rev/min readings and yield points (YPs)], the viscosity term also delivers near-constant variations in the temperature range of 39 to 150°F. To attain FR profiles, the rheological modifier appears to be necessary for its temperature-activated behavior. In addition, the FR WBM displays lower pressure and temperature dependence. The laboratory contamination tests indicated that the WBM system possesses excellent inhibition and lubricity properties as well as a strong tolerance to the contamination of seawater and sand/mudstone cuttings.
Association between Genotype and Phenotype in Uromodulin-Associated Kidney Disease
Authors: Moskowitz Jonathan L. , Piret Sian E. , Lhotta Karl , Kitzler Thomas M. , Tashman Adam P. , Velez Erin , Thakker Rajesh V. , Kotanko Peter 
Published: May 2013

Summary

Background and objectives
Uromodulin-associated kidney disease (UAKD) is an autosomal dominant disease caused by uromodulin (UMOD) gene mutations. This study explored genotype-phenotype correlations by examining the relationship between the type of UMOD mutation and the age at onset of ESRD.

Design, setting, participants & measurements
Extensive bibliographic research was used to ascertain patient-level data of all patients with UAKD published up to October 2011. Data included sex; ages at onset of hyperuricemia, gout, and ESRD; and UMOD genotype. Kaplan-Meier analysis and Cox proportional hazards models fitted with shared gamma frailty terms to adjust for within-family correlations were used to model time to event.

Results
Thirty-one peer-reviewed publications reporting on 202 patients from 74 families with 59 different UMOD mutations were included. Median ages at onset of hyperuricemia, gout, and ESRD were 24, 40, and 56 years, respectively. Men developed gout and ESRD significantly earlier than did women (age at ESRD was 50 years for men and 60 for women; P=0.04, shared frailty model). Median ages at ESRD development were lowest with Cys77Tyr (37.5 years) and highest with Gln316Pro (65.5 years) UMOD mutations. Onset of ESRD was significantly earlier with UMOD mutations located within the epidermal growth factor domains 2 and 3 (range, 45–52 years; P<0.01 and 0.04, respectively) compared with the cysteine-rich domains (range, 60–65 years; by shared frailty model).

Conclusions
The UMOD genotype is related to the clinical phenotype of UAKD. This finding may assist in counseling of patients.
Systematic Review of Structural and Functional Neuroimaging Findings in Children and Adults with CKD
Authors: Moodalbail Divya G. , Reiser Kathryn A. , Detre John A. , Schultz Robert T. , Herrington John D. , Davatzikos Christos , Doshi Jimit J. , Erus Guray , Liu Hua-Shan , Radcliffe Jerilynn , Furth Susan L. , Hooper Stephen R. 
Published: May 2013

Summary
CKD has been linked with cognitive deficits and affective disorders in multiple studies. Analysis of structural and functional neuroimaging in adults and children with kidney disease may provide additional important insights into the pathobiology of this relationship. This paper comprehensively reviews neuroimaging studies in both children and adults. Major databases (PsychLit, MEDLINE, WorldCat, ArticleFirst, PubMed, Ovid MEDLINE) were searched using consistent search terms, and studies published between 1975 and 2012 were included if their samples focused on CKD as the primary disease process. Exclusion criteria included case reports, chapters, and review articles. This systematic process yielded 43 studies for inclusion (30 in adults, 13 in children). Findings from this review identified several clear trends: (1) presence of cerebral atrophy and cerebral density changes in patients with CKD; (2) cerebral vascular disease, including deep white matter hyperintensities, white matter lesions, cerebral microbleeds, silent cerebral infarction, and cortical infarction, in patients with CKD; and (3) similarities in regional cerebral blood flow between patients with CKD and those with affective disorders. These findings document the importance of neuroimaging procedures in understanding the effect of CKD on brain structure, function, and associated behaviors. Results provide a developmental linkage between childhood and adulthood, with respect to the effect of CKD on brain functioning across the lifespan, with strong implications for a cerebrovascular mechanism contributing to this developmental linkage. Use of neuroimaging methods to corroborate manifest neuropsychological deficits or perhaps to indicate preventive actions may prove useful to individuals with CKD.
Epidemiology and Mortality of New-Onset Diabetes After Dialysis
Authors: Tien Kai-Jen , Lin Zhe-Zhong , Chio Chung-Ching , Wang Jhi-Joung , Chu Chin-Chen , Sun Yih-Min , Kan Wei-Chih , Chien Chih-Chiang 
Published: May 2013

OBJECTIVE
We examined the predictors and risks associated with pre-existing versus new-onset diabetes mellitus (DM) after initiation of chronic dialysis therapy in end-stage renal disease (ESRD) patients.

RESEARCH DESIGN AND METHODS
In the Taiwan National Health Insurance Research Database, we examined records of ESRD patients who initiated dialysis between 1999 and 2005. Patients were followed until death, transplant, dialysis withdrawal, or 31 December 2008. Predictors of new-onset DM and mortality were calculated using Cox models.

RESULTS
A total of 51,487 incident dialysis patients were examined in this study, including 25,321 patients with pre-existing DM, 3,346 with new-onset DM, and 22,820 without DM at any time. Patients’ age (mean ± SD) was 61.8 ± 11.5, 61.6 ± 13.7, and 56.5 ± 16.6 years in pre-existing, new-onset DM, and without DM groups, respectively. The cumulative incidence rate of new-onset DM was 4% at 1 year and 21% at 9 years. Dialysis modality was not a risk factor for new-onset DM (peritoneal dialysis to hemodialysis hazard ratio [HR] of new-onset DM, 0.94 [95% CI 0.83–1.06]). Pre-existing DM was associated with 80% higher death risk (HR 1.81 [95% CI 1.75–1.87]), whereas the new-onset DM was associated with 10% increased death risk (HR 1.10 [95% CI 1.03–1.17]).

CONCLUSIONS
Whereas dialysis modality does not appear to associate with new-onset DM, both pre-existing and new-onset DM are related to higher long-term mortality in maintenance dialysis patients.