bluuebunny/crossref_metadata_2025_split huggingface dataset:
Phase Transition Induced by Gas Adsorption in Metal‐Organic Frameworks
Authors: Luna‐Triguero Azahara , Vicent‐Luna Jose Manuel , Calero Sofia 
Published: April 2018

AbstractWe present a molecular simulation study with the aim of investigating the structural phase transition of ZJU‐198 metal‐organic framework. This material has been recently synthetized with the appropriate control of window size, which performs well for the separation of mixtures of gases containing nitrogen and methane. We find that the adsorption of small gases in this structure is unusual, and provide an explanation of the molecular mechanisms involved. Using molecular simulation, we analyze the structural distortions exerted by the adsorption of carbon dioxide, nitrogen, methane, acetylene, and ethene. We found that the separation of mixtures composed of these gases in ZJU‐198 is due to the organic linker of the structure. The rotation of this linker causes the expansion of the cavities and enhances gas separation by allowing the adsorption of molecules that a priori are too big to be adsorbed.
Two Macrocycles in One Shot: Synthesis, Spectroscopy, Photophysics, and Tautomerism of 23‐Oxahemiporphycene and 21‐Oxacorrole‐5‐carbaldehyde
Authors: Ostapko Jakub , Kelm Anna , Kijak Michał , Leśniewska Barbara , Waluk Jacek 
Published: April 2018

AbstractThe synthesis of 23‐oxahemiporphycene, the first monooxa analogue of hemiporphycene, a structural isomer of porphyrin, is reported. Its generation under McMurry reaction conditions is surprisingly accompanied by the appearance of a formyl derivative of oxacorrole, 21‐oxacorrole‐5‐carbaldehyde. A mechanism for the formation of the latter is proposed, relying on pinacol rearrangement of titanium pinacolate. The structures of the most stable tautomeric forms are established for both compounds based on IR and NMR spectra combined with DFT calculations. Spectral and photophysical characteristics are compared with those of structurally similar macrocycles. Replacement of one nitrogen by oxygen in hemiporphycene has only a minor impact. In contrast, for corrole it leads to the enhancement of stability and to strongly reduced rates of nonradiative deactivation of the lowest excited singlet state. This is explained by the planarity of oxacorroles, achieved by removing one of the inner hydrogen atoms from the inner cavity. Unusual crystal packing is observed for the protonated form of 23‐oxahemiporphycene, which exhibits a π–π stacked columnar alignment of positively charged macrocycle units.
Structural Mass Spectrometry of Membrane Proteins within Their Native Lipid Environments
Authors: Reading Eamonn 
Published: April 2018

AbstractMass spectrometry has emerged as an important structural biology tool for understanding membrane protein structure, function, and dynamics. Generally, structural mass spectrometry of membrane proteins has been performed on purified or reconstituted systems which lack the native lipid membrane and cellular environments. However, there has been progress in the use and adaptations of these methods for probing membrane proteins within increasingly more native contexts. In this Concept article the use and utility of structural mass spectrometry techniques for studying membrane proteins within native environments are highlighted.
Increased left atrial size is associated with higher atrial fibrillation recurrence in patients treated with antiarrhythmic medications
Authors: Mulukutla Saarang , Althouse Andrew D. , Jain Sandeep K. , Saba Samir 
Published: April 2018

BackgroundAtrial fibrillation (AF) is highly prevalent, and antiarrhythmic therapy is often used to help with rhythm control. Some common echocardiographic parameters may be useful in predicting AF recurrence among these patients. The purpose of this study was to evaluate the association between 3 common echocardiographic parameters (left atrial [LA] size, left ventricular ejection fraction [LVEF], and mitral regurgitation [MR]) and AF recurrence among patients treated with antiarrhythmic medications.HypothesisWe hypothesized that LA size, LVEF, and severity of MR are predictors of AF recurrence in this population.MethodsA real‐world cohort of AF patients who had transthoracic echocardiograms was analyzed. Data on LA size, LVEF, and MR were collected retrospectively from echocardiography reports. Patients were followed from the time of the echocardiogram until first recurrence of AF.ResultsA total of 2522 patients had echocardiography reports available for review. LA size showed the strongest prognostic relationship with AF recurrence; neither LVEF nor MR was significantly associated with AF recurrence. These results persisted after adjusting for age, sex, race, tobacco use, alcohol use, drug use, body mass index, and Charlson Comorbidity Index in a multivariable model.ConclusionsIn a cohort of patients treated with antiarrhythmic medications that had transthoracic echocardiogram data, LA size was a significant predictor of AF recurrence. The clinical utility of this finding would be strengthened by replication in a multicenter setting.
Structural Reversibility of LaCo1‐xCuxO3 Followed by In Situ X‐ray Diffraction and Absorption Spectroscopy
Authors: Pereñíguez Rosa , Ferri Davide 
Published: April 2018

AbstractCombinations of perovskite‐type oxides with transition and precious metals exhibit a remarkable self‐regenerable property that could be exploited for numerous practical applications. The objective of the present work was to study the reversibility of structural changes of perovskite‐type oxides under cyclic reducing/oxidizing atmosphere by taking advantage of the reducibility of LaCoO3. LaCoO3±δ and LaCo0.8Cu0.2O3±δ were prepared by ultrasonic spray combustion and were characterized by scanning electron microscopy (SEM), X‐ray diffraction (XRD), X‐ray absorption spectroscopy (XAS) and temperature‐programmed reduction (TPR). XRD and XAS data confirmed that copper adopted the coordination environment of cobalt at the B‐site of the rhombohedral LaCoO3 under the selected synthesis conditions. The structural evolution under reducing atmosphere was studied by in situ XRD and XANES supporting the assignment of the observed structural changes to the reduction of the perovskite‐type oxide from ABB'O3 (B’=Cu) to B’0/ABO3 and to B’0B0/A2O3. Successive redox cycles allowed the observation of a nearly complete reversibility of the perovskite phase, i. e. copper was able to revert into LaCoO3 upon oxidation. The reversible reduction/segregation of copper and incorporation at the B‐site of the perovskite‐type oxides could be used in chemical processes where the material can be functionalized by segregation of Cu and protected against irreversible structural changes upon re‐oxidation.
The Electrochemical Performance of Silicon Nanoparticles in Concentrated Electrolyte
Authors: Chang Zeng‐hua , Wang Jian‐tao , Wu Zhao‐hui , Gao Min , Wu Shuai‐jin , Lu Shi‐gang 
Published: April 2018

AbstractSilicon is a promising material for anodes in energy‐storage devices. However, excessive growth of a solid–electrolyte interphase (SEI) caused by the severe volume change during the (de)lithiation processes leads to dramatic capacity fading. Here, we report a super‐concentrated electrolyte composed of lithium bis(fluorosulfonyl)imide (LiFSI) and propylene carbonate (PC) with a molar ratio of 1:2 to improve the cycling performance of silicon nanoparticles (SiNPs). The SiNP electrode shows a remarkably improved cycling performance with an initial delithiation capacity of approximately 3000 mAh g−1 and a capacity of approximately 2000 mAh g−1 after 100 cycles, exhibiting about 6.8 times higher capacity than the cells with dilute electrolyte LiFSI‐(PC)8. Raman spectra reveal that most of the PC solvent and FSI anions are complexed by Li+ to form a specific solution structure like a fluid polymeric network. The reduction of FSI anions starts to play an important role owing to the increased concentration of contact ion pairs (CIPs) or aggregates (AGGs), which contribute to the formation of a more mechanically robust and chemically stable complex SEI layer. The complex SEI layer can effectively suppress the morphology evolution of silicon particles and self‐limit the excessive growth, which mitigates the crack propagation of the silicon electrode and the deterioration of the kinetics. This study will provide a new direction for screening cycling‐stable electrolytes for silicon‐based electrodes.
Evaluation of photoshop based image analysis in cytologic diagnosis of pleural fluid in comparison with conventional modalities
Authors: Jafarian Amir Hossein , Tasbandi Aida , Mohamadian Roshan Nema 
Published: April 2018

BackgroundThe aim of this study is to investigate and compare the results of digital image analysis in pleural effusion cytology samples with conventional modalities.Materials and MethodsIn this cross‐sectional study, 53 pleural fluid cytology smears from Qaem hospital pathology department, located in Mashhad, Iran were investigated. Prior to digital analysis, all specimens were evaluated by two pathologists and categorized into three groups as: benign, suspicious, and malignant. Using an Olympus microscope and Olympus DP3 digital camera, digital images from cytology slides were captured. Appropriate images (n = 130) were separately imported to Adobe Photoshop CS5 and parameters including area and perimeter, circularity, Gray Value mean, integrated density, and nucleus to cytoplasm area ratio were analyzed.ResultsGray Value mean, nucleus to cytoplasm area ratio, and circularity showed the best sensitivity and specificity rates as well as significant differences between all groups. Also, nucleus area and perimeter showed a significant relation between suspicious and malignant groups with benign group. Whereas, there was no such difference between suspicious and malignant groups.ConclusionWe concluded that digital image analysis is welcomed in the field of research on pleural fluid smears as it can provide quantitative data to apply various comparisons and reduce interobserver variation which could assist pathologists to achieve a more accurate diagnosis.
Regulation of neural crest development by the formin family protein Daam1
Authors: Ossipova Olga , Kerney Ryan , Saint‐Jeannet Jean‐Pierre , Sokol Sergei Y. 
Published: April 2018

SummaryThe neural crest (NC) multipotent progenitor cells form at the neural plate border and migrate to diverse locations in the embryo to differentiate into many cell types. NC is specified by several embryonic pathways, however the role of noncanonical Wnt signaling in this process remains poorly defined. Daam1 is a formin family protein that is present in embryonic ectoderm at the time of NC formation and can mediate noncanonical Wnt signaling. Our interference experiments indicated that Daam1 is required for NC gene activation. To further study the function of Daam1 in NC development we used a transgenic reporter Xenopus line, in which GFP transcription is driven by sox10 upstream regulatory sequences. The activation of the sox10:GFP reporter in a subset of NC cells was suppressed after Daam1 depletion and in embryos expressing N‐Daam1, a dominant interfering construct. Moreover, N‐Daam1 blocked reporter activation in neuralized ectodermal explants in response to Wnt11, but not Wnt8 or Wnt3a, confirming that the downstream pathways are different. In complementary experiments, a constitutively active Daam1 fragment expanded the NC territory, but this gain‐of‐function activity was eliminated in a construct with a point mutation in the FH2 domain that is critical for actin polymerization. These observations suggest a new role of Daam1 and actin remodeling in NC specification.
Direct Coupling of PEM Fuel Cell to Supercapacitors for Higher Durability and Better Energy Management
Authors: Gérardin K. , Raël S. , Bonnet C. , Arora D. , Lapicque F. 
Published: April 2018

AbstractA single polymer electrolyte fuel cell has been directly hybridized to a stack of three supercapacitors: the system formed has been investigated in operation in the fuel cell dynamic load cycle, which emulates the energy demand in transported applications. Comparison with regular, non‐hybridized fuel cell operation was analyzed in terms of hydrogen consumption in the case that the gas flow rates are directly controlled by cell current during the cycles with constant gas stoichiometric factors: the smoothening effect of the supercapacitors in the overall circuit leads to more even profiles of the cell current and voltage in the cycle, which allows safer and better hydrogen consumption management in this regime: the average H2 consumption per cycle could be reduced by 16% without change of the overall energy produced. Besides, the runs were conducted over more than 1,300 hours with evaluation of the fuel cell performance and capacity at regular intervals, with or without hybridization. A moderate positive effect of hybridization was observed in the time variations of the voltage‐current curves and the fuel crossover. However, the resistances for ohmic, charge transfer and diffusion phenomena, were not so much improved by the hybridization, in spite of less sharp voltage.
Using dolls for therapeutic purposes: A study on nursing home residents with severe dementia
Authors: Cantarella A. , Borella E. , Faggian S. , Navuzzi A. , De Beni R. 
Published: April 2018

ObjectivesAmong the psychosocial interventions intended to reduce the behavioral and psychological symptoms of dementia (BPSD), doll therapy (DT) is increasingly used in clinical practice. Few studies on DT have been based on empirical data obtained with an adequate procedure; however, none have assessed its efficacy using an active control group, and the scales used to assess changes in BPSD are usually unreliable. The aim of the present study was to measure the impact of DT on people with severe dementia with a reliable, commonly used scale for assessing their BPSD, and the related distress in formal caregivers. Effects of DT on the former's everyday abilities (ie, eating behavior) were also examined.MethodTwenty‐nine nursing home residents aged from 76 to 96 years old, with severe dementia (Alzheimer's or vascular dementia), took part in the experiment. They were randomly assigned to an experimental group that used dolls or an active control group that used hand warmers with sensory characteristics equivalent to the dolls. Benefits of DT on BPSD and related formal caregiver distress were examined with the Neuropsychiatric Inventory. The effects of DT on eating behavior were examined with the Eating Behavior Scale.ResultsOnly the DT group showed a reduction in BPSD scores and related caregiver distress. DT did not benefit eating behavior, however.ConclusionsThis study suggests that DT is a promising approach for reducing BPSD in people with dementia, supporting evidence emerging from previous anecdotal studies.
Prevention of work‐related musculoskeletal disorders in a chemical plant in Taiwan and a comparison of three assessment tools
Authors: Chao Chin‐Jung , Chen Ming ‐ Chun , Yau Yi‐Jan 
Published: April 2018

AbstractWork‐related musculoskeletal disorders (WMSDs) caused by a poor working environment or an improper work design are the most common occupational diseases seriously affecting workers’ health, causing huge economic losses in many countries. Thus, the prevention of WMSDs is considered a priority issue worldwide. In this study, three ergonomics analysis tools and a statistic analysis were used to assess the risk level of exposure to WMSDs and to find improvements for the operations in a chemical plant. The applicability of these tools was also evaluated. Results of the analysis suggest that, to greatly prevent the incidence of WMSDs, a mobile elevating platform should be adopted to adjust the handling height of material bags at 90 cm, allowing the operators to stand in front of them to hold their short or long sides. Among the tools, key indicator methods–manual handling operation methods (KIM‐MHO) have the highest sensitivity.
Evaluation of remote sensing‐based evapotranspiration estimates using a water transfer numerical simulation under different vegetation conditions in an arid area
Authors: Lian Jinjiao , Li Danfeng , Huang Mingbin , Chen Hongsong 
Published: April 2018

AbstractDaily actual evapotranspiration (AET) and seasonal AET values are of great practical importance in the management of regional water resources and hydrological modelling. Remotely sensed AET models and Landsat satellite images have been used widely in producing AET estimates at the field scale. However, the lack of validation at a high spatial frequency under different soil water conditions and vegetation coverages limits their operational applications. To assess the accuracies of remote sensing‐based AET in an oasis‐desert region, a total of 59 local‐scale daily AET time series, simulated using HYDRUS‐1D calibrated with soil moisture profiles, were used as ground truth values. Of 59 sampling sites, 31 sites were located in the oasis subarea and 28 sites were located in the desert subarea. Additionally, the locally validated mapping evapotranspiration at high resolution with internalized calibration surface energy balance model was employed to estimate instantaneous AET values in the area containing all 59 of the sampling sites using seven Landsat subimages acquired from June 5 to August 24 in 2011. Daily AET was obtained using extrapolation and interpolation methods with the instantaneous AET maps. Compared against HYDRUS‐1D, the remote sensing‐based method produced reasonably similar daily AET values for the oasis sites, while no correlation was observed for daily AET estimated using these two methods for the desert sites. Nevertheless, a reasonable monthly AET could be estimated. The correlation analysis between HYDRUS‐1D‐simulated and remote sensing‐estimated monthly AET values showed relative root‐mean‐square error values of 15.1%, 12.1%, and 12.3% for June, July, and August, respectively. The root mean square error of the summer AET was 10.0%. Overall, remotely sensed models can provide reasonable monthly and seasonal AET estimates based on periodic snapshots from Landsat images in this arid oasis‐desert region.
Effects of implant‐delivered insulin on bone formation in osteoporotic rats
Authors: Malekzadeh Behnosh Ö. , Erlandsson Malin C. , Tengvall Pentti , Palmquist Anders , Ransjo Maria , Bokarewa Maria I. , Westerlund Anna 
Published: April 2018

AbstractOsteoporosis is a major cause of age‐related fractures. Healing complications in osteoporotic patients are often associated with increased mortality and morbidity. Stimulation of the implant‐adjacent bone could be beneficial in terms of the surgical outcome. Over the past decade, numerous investigations have implicated insulin in normal bone growth, and recent studies have described the advantages of administering insulin locally to increase bone formation. Therefore, we hypothesized that insulin‐coated titanium implants would increase bone formation in osteoporotic animals. The aim of this study was to evaluate the effects of insulin delivered from an implant surface on bone‐related gene expression and bone formation in osteoporotic rats. Characterizations of the surfaces of insulin‐coated and control implants were performed using ellipsometry and interferometry. Forty ovariectomized and four healthy Sprague Dawley rats were used and implants were inserted in the tibias. The systemic effect of insulin was assessed by measuring the blood glucose levels and total body weight. The animals were sacrificed either 1 day or 3 weeks postimplantation. Implant‐adherent cells were analyzed by quantitative real‐time PCR, and the bone adjacent to the implants was examined by microcomputed tomography and histomorphometry. The insulin‐coated implants had no systemic effects. The insulin‐coated samples demonstrated significantly lower expression of the gene for interleukin 1β (p = 0.019) at 1 day, and significantly exhibited more periosteal callus (p = 0.029) at 3 weeks. Locally delivered insulin has potential for promoting bone formation and it exerts potentially anti‐inflammatory effects in osteoporotic rats. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 106A:2472–2480, 2018.
Revisiting the NIH Taskforce on the Research needs of Eosinophil-Associated Diseases (RE-TREAD)
Authors: Khoury Paneez , Akuthota Praveen , Ackerman Steven J , Arron Joseph R , Bochner Bruce S , Collins Margaret H , Kahn Jean-Emmanuel , Fulkerson Patricia C , Gleich Gerald J , Gopal-Srivastava Rashmi , Jacobsen Elizabeth A , Leiferman Kristen M , Francesca Levi-Schaffer , Mathur Sameer K , Minnicozzi Michael , Prussin Calman , Rothenberg Marc E , Roufosse Florence , Sable Kathleen , Simon Dagmar , Simon Hans-Uwe , Spencer Lisa A , Steinfeld Jonathan , Wardlaw Andrew J , Wechsler Michael E , Weller Peter F , Klion Amy D 
Published: April 2018

AbstractEosinophil-associated diseases (EADs) are rare, heterogeneous disorders characterized by the presence of eosinophils in tissues and/or peripheral blood resulting in immunopathology. The heterogeneity of tissue involvement, lack of sufficient animal models, technical challenges in working with eosinophils, and lack of standardized histopathologic approaches have hampered progress in basic research. Additionally, clinical trials and drug development for rare EADs are limited by the lack of primary and surrogate endpoints, biomarkers, and validated patient-reported outcomes. Researchers with expertise in eosinophil biology and eosinophil-related diseases reviewed the state of current eosinophil research, resources, progress, and unmet needs in the field since the 2012 meeting of the NIH Taskforce on the Research of Eosinophil-Associated Diseases (TREAD). RE-TREAD focused on gaps in basic science, translational, and clinical research on eosinophils and eosinophil-related pathogenesis. Improved recapitulation of human eosinophil biology and pathogenesis in murine models was felt to be of importance. Characterization of eosinophil phenotypes, the role of eosinophil subsets in tissues, identification of biomarkers of eosinophil activation and tissue load, and a better understanding of the role of eosinophils in human disease were prioritized. Finally, an unmet need for tools for use in clinical trials was emphasized. Histopathologic scoring, patient- and clinician-reported outcomes, and appropriate coding were deemed of paramount importance for research collaborations, drug development, and approval by regulatory agencies. Further exploration of the eosinophil genome, epigenome, and proteome was also encouraged. Although progress has been made since 2012, unmet needs in eosinophil research remain a priority.Review on eosinophil biology and eosinophil-related disorders (2012–2017) with a focus on continued unmet needs in eosinophil-associated diseases.