bluuebunny/crossref_metadata_2025_split huggingface dataset:
Automated curve fitting and unsupervised clustering of manganese oxide Raman responses
Authors: Mulè G. , Burlet C. , Vanbrabant Y. 
Published: October 2017

Natural manganese oxides characterization represents a challenge due to the broad variety of their structures and geochemical compositions along with a frequent poor crystallinity. This characterization requires the ability to conduct both a phase separation and a phase association operation. In this paper, the Raman spectra acquired on a selection of natural manganese oxide minerals are first processed with an automated curve‐fitting model called MnOx. The adjustment of convolution envelope is realized, thanks to the Levenberg–Marquardt algorithm applied on a set of randomly generated seed pseudo‐Voigt curves. The application conditions of the automated curve‐fitting and, in particular, the number of seed curves are investigated with regards to the risk of overfitting. The MnOx model outputs are in a second step treated by data mining techniques and in particular by unsupervised clustering methods. This data processing shows promising results in terms of phase separation when the number of clusters is equivalent to the number of phases. By contrast, the decrease of number of clusters leads to a phase association which reflects spectral affinities between phases. This result shows the existence of 6 to 7 vibrational bands in Mn oxides Raman spectra, with contrasting behaviours between clustering. Thereby, vibrational bands located in the low wave number domain (<510 cm−1) are more mobile and therefore more sensitive to structural modifications, while bands with higher wave number are less affected by structural changes. Besides these results, Raman responses collected during this study provide new refinement regarding the spectral content of some Mn oxides in particular todorokite, nsutite, and chalcophanite. Copyright © 2017 John Wiley & Sons, Ltd.
In vivo imaging of the internal nasal valve during different conditions using optical coherence tomography
Authors: Englhard Anna S. , Wiedmann Maximilian , Ledderose Georg J. , Lemieux Bryan , Badran Alan , Jing Joseph C. , Chen Zhongping , Volgger Veronika , Wong Brian J. F. 
Published: October 2017

ObjectivePreviously, we proposed long‐range optical coherence tomography (LR‐OCT) to be an effective method for the quantitative evaluation of the nasal valve geometry. Here, the objective was to quantify the reduction in the internal nasal valve angle and cross‐sectional area that results in subjective nasal airway obstruction and to evaluate the dynamic behavior of the valve during respiration using LR‐OCT.MethodsFor 16 healthy individuals, LR‐OCT was performed in each naris during: 1) normal respiration, 2) peak forced inspiration, 3) lateral nasal wall depression (to the onset of obstructive symptoms), and 4) after application of a topical decongestant. The angle and the cross‐sectional area of the valve were measured.ResultsA reduction of the valve angle from 18.3° to 14.1° (11° in Caucasians and 17° in Asians) and a decrease of the cross‐sectional area from 0.65 cm2 to 0.55 cm2 led to subjective nasal obstruction. Forceful breathing did not significantly change the internal nasal valve area in healthy individuals. Application of nasal decongestant resulted in increased values.ConclusionLR‐OCT proved to be a fast and readily performed method for the evaluation of the dynamic behavior of the nasal valve. The values of the angle and the cross‐sectional area of the valve were reproducible, and changes in size could be accurately delineated.Level of Evidence2b. Laryngoscope, 128:E105–E110, 2018
In Vivo Characterizations of the Immune Properties of Sericin: An Ancient Material with Emerging Value in Biomedical Applications
Authors: Jiao Zhanying , Song Yu , Jin Yang , Zhang Cheng , Peng Dong , Chen Zhenzhen , Chang Panpan , Kundu Subhas C. , Wang Guobin , Wang Zheng , Wang Lin 
Published: October 2017

AbstractThe biosafety of sericin remains controversial. The misunderstanding regarding sericin causing adverse biological responses have been clarified by extensively reviewing relevant literatures and experimentally demonstrating that sericin exhibits mild inflammatory responses, negligible allergenicity, and low immunogenicity in vivo. This study supports that sericin is biosafe as a natural biomaterial.
Rheological Study of Soft Matters: A Review of Microrheology and Microrheometers
Authors: Liu Wei , Wu Chi 
Published: October 2017

AbstractRheological properties of soft matter like polymer solutions/gels, colloidal dispersions, and biological materials have been extensively studied by macroscopic methods. Recently, a set of microrheometers has emerged as powerful tools to investigate the dynamics and structures of homogeneous or heterogeneous soft matter at the micro‐ or nanoscale. In this review, these microrheometers, including some novel hybrid microrheometers are summarized and compared.
Proliferative diabetic retinopathy characterization based on fractal features: Evaluation on a publicly available dataset
Authors: Orlando José Ignacio , van Keer Karel , Barbosa Breda João , Manterola Hugo Luis , Blaschko Matthew B. , Clausse Alejandro 
Published: October 2017

PurposeDiabetic retinopathy (DR) is one of the most widespread causes of preventable blindness in the world. The most dangerous stage of this condition is proliferative DR (PDR), in which the risk of vision loss is high and treatments are less effective. Fractal features of the retinal vasculature have been previously explored as potential biomarkers of DR, yet the current literature is inconclusive with respect to their correlation with PDR. In this study, we experimentally assess their discrimination ability to recognize PDR cases.MethodsA statistical analysis of the viability of using three reference fractal characterization schemes — namely box, information, and correlation dimensions — to identify patients with PDR is presented. These descriptors are also evaluated as input features for training and regularized logistic regression classifiers, to estimate their performance.ResultsOur results on MESSIDOR, a public dataset of 1200 fundus photographs, indicate that patients with PDR are more likely to exhibit a higher fractal dimension than healthy subjects or patients with mild levels of DR (). Moreover, a supervised classifier trained with both fractal measurements and red lesion‐based features reports an area under the ROC curve of 0.93 for PDR screening and 0.96 for detecting patients with optic disc neovascularizations.ConclusionsThe fractal dimension of the vasculature increases with the level of DR. Furthermore, PDR screening using multiscale fractal measurements is more feasible than using their derived fractal dimensions. Code and further resources are provided at https://github.com/ignaciorlando/fundus-fractal-analysis.
Fast multiresolution data acquisition for magnetic particle imaging using adaptive feature detection
Authors: Gdaniec Nadine , Szwargulski Patryk , Knopp Tobias 
Published: October 2017

PurposeMagnetic particle imaging is a tomographic imaging modality capable of determining the distribution of magnetic nanoparticles with high temporal resolution. The spatial resolution of magnetic particle imaging is influenced by the gradient strength of the selection field used for spatial encoding. By increasing the gradient strength, the spatial resolution is improved, but at the same time the imaging volume decreases. For a high‐resolution image of an extended field‐of‐view, a multipatch approach can be used by shifting the sampling trajectory in space. As the total imaging timescales with the number of patches, the downside of the multipatch method is the degradation of the temporal resolution.MethodsThe purpose of this work was to develop a scanning procedure incorporating the advantages of imaging at multiple gradient strengths. A low‐resolution overview scan is performed at the beginning followed by a small number of high‐resolution scans at adaptively detected locations extracted from the low‐resolution scan.ResultsBy combining all data during image reconstruction, it is possible to obtain a large field‐of‐view image of anisotropic spatial resolution. It is measured in a fraction of time compared to a fully sampled high‐resolution field of view image.ConclusionsMagnetic particle imaging is a flexible imaging method allowing to rapidly scan small volumes. When scaling magnetic particle imaging from small animal to human applications, it will be essential to keep the acquisition time low while still capturing larger volumes at high resolution. With our proposed adaptive multigradient imaging sequence, it is possible to capture a large field of view while keeping both the temporal and the spatial resolution high.
A parallel multiselection greedy method for the radial basis function–based mesh deformation
Authors: Li Chao , Xu Xinhai , Wang Jinyu , Xu Liyang , Ye Shuai , Yang Xuejun 
Published: October 2017

AbstractGreedy algorithm has been widely adopted for the point selection procedure of radial basis function–based mesh deformation. However, in large deformation simulations with thousands of points selected, the greedy point selection will be too expensive and thus become a performance bottleneck. To improve the efficiency of the point selection procedure, a parallel multiselection greedy method has been developed in this paper. Multiple points are selected at each step to accelerate the convergence speed of the greedy algorithm. In addition, 2 strategies are presented to determine the specific selecting number. The parallelization of the greedy point selection is realized on the basis of a master‐slave model, and a hybrid decomposition algorithm is proposed to address the load imbalance problem. Numerical benchmarks show that both our multiselection method and the parallelization could obviously improve the point selection efficiency. Specifically, total speedups of 20 and 55 are separately obtained for the 3D undulating fish with 106 cell mesh and the 3D rotating hydrofoil with 11 million cell mesh.
Dynamics of entangled supramolecular polymer networks in presence of high‐order associations of strong hydrogen bonding groups
Authors: Jangizehi Amir , Ghaffarian Seyed Reza , Ahmadi Mostafa 
Published: October 2017

Dynamics of entangled polymer chains in the melt state are deliberately excluded in most of the studies on supramolecular polymer networks by utilizing nonentangled precursor chains. Relaxation of the system mainly depends on the dissociation of the associative groups in latter case and nonentangled chains deliver nothing to resist afterward. Conversely, in an entangled system, relaxation of polymer chains and dissociation of associative groups can occurred parallel. Supramolecular networks based on an entangled precursor polymer with different levels of strong associating ureidopyrimidinone (UPy) groups are synthesized to screen the corresponding effects on the dynamics of the system. Binary‐associated UPy groups phase separate into collective assemblies by stacking and form high‐order, needle‐like domains at higher UPy contents. Relaxation of polymer chains is significantly hindered due to the trapping of polymer segments between UPy stacks. Above a certain threshold of UPy content (~4 mol%), the plateau level and final relaxation time of networks show a significant jump, which is attributed to the onset of high‐order association of UPy groups.
Fidaxomicin versus Vancomycin as a First‐Line Treatment for Clostridium difficile–Associated Diarrhea in Specific Patient Populations: A Pharmacoeconomic Evaluation
Authors: Reveles Kelly R. , Backo Jennifer L. , Corvino Frank A. , Zivkovic Marko , Broderick Kelly C. 
Published: October 2017

ObjectivesThe reduction in recurrent Clostridium difficile–associated diarrhea (CDAD) with fidaxomicin therapy may reduce hospital readmissions and lead to lower overall CDAD costs. However, studies assessing the cost‐effectiveness of fidaxomicin as first‐line therapy from the U.S. hospital perspective are lacking. This study evaluated the costs associated with utilizing fidaxomicin or vancomycin as a first‐line therapy for CDAD in specific patient populations from a U.S. hospital perspective.MethodsA decision‐analytic model was developed to estimate total costs (hospitalization and drug costs) associated with using fidaxomicin or vancomycin as first‐line therapy for a first episode and up to two recurrences of CDAD in five patient populations: general population, elderly, patients receiving concomitant antibiotics, and patients with renal impairment or cancer.ResultsThe total cost of CDAD treatment using fidaxomicin first line in the general population was $14,442 per patient versus $14,179 per patient with vancomycin first line. In subgroup analyses, fidaxomicin use resulted in total hospital cost savings of $616 per patient in patients with cancer and $312 in patients with concomitant antibiotic use; vancomycin use was associated with total hospital cost savings of $243 per patient in the elderly and $371 in patients with renal impairment.ConclusionsFidaxomicin as first‐line CDAD therapy is associated with similar total costs as compounded vancomycin oral solution in the general population. In elderly and renally impaired patients, slight increases in hospital cost were observed with fidaxomicin therapy, and in patients with cancer or concomitant antibiotic use, hospital cost savings were observed.
Degradation of Ge subcells by thermal load during the growth of multijunction solar cells
Authors: Barrigón Enrique , Ochoa Mario , García Ivan , Barrutia Laura , Algora Carlos , Rey‐Stolle Ignacio 
Published: October 2017

AbstractGermanium solar cells are used as bottom subcells in many multijunction solar cell designs. The question remains whether the thermal load originated by the growth of the upper layers of the multijunction solar cell structure affects the Ge subcell performance. Here, we report and analyze the performance degradation of the Ge subcell due to such thermal load in lattice‐matched GaInP/Ga(In)As/Ge triple‐junction solar cells. Specifically, we have detected a quantum efficiency loss in the wavelength region corresponding to the emitter layer (which accounts for up to 20% loss in equivalent JSC) and up to 55 mV loss in VOC of the Ge subcell as compared with analogous devices grown as single‐junction Ge solar cells on the same type of substrates. We prove experimentally that there is no direct correlation between the loss in VOC and the doping level of the base. Our simulations show that both the JSC and VOC losses are consistent with a degradation of the minority carrier properties at the emitter, in particular at the initial nanometers of the emitter next to the emitter/window heterointerface. In addition, we also rule out the gradual emitter profile shape as the origin of the degradation observed. Our findings underscore the potential to obtain higher efficiencies in Ge‐based multijunction solar cells if strategies to mitigate the impact of the thermal load are taken into consideration.
Racial equity and school social work
Authors: Stone Susan 
Published: October 2017

AbstractThis manuscript outlines the beginning contours of a racial justice and equity framework for school social work. It briefly summarizes prior social work scholarship related to social and racial justice and race, outline forces related to school social work professional practice that likely shape limited explicit attention to conceptions of racial equity and justice in schools. Specifically it suggests attention to (a) school institutional and organizational structure and (b) school social work practice routines to center issues of racial justice and equity in relation to the school social work profession.
Nitrocellulose Synthesis from Miscanthus Cellulose
Authors: Gismatulina Yulia A. , Budaeva Vera V. , Sakovich Gennady V. 
Published: October 2017

AbstractThe possibility of synthesizing nitrocellulose (NC) from an easily renewable non‐woody feedstock, Miscanthus, is demonstrated herein. Nitration of Miscanthus cellulose with commercial mixed acid was found to afford high‐quality NC: 11.85 % nitrogen content, 18 cP viscosity of 2 % NC‐acetone solution, 97 % solubility in alcohol‐ester mixture, and 0.11 % ash content. The Miscanthus NC structure and fibers were characterized by analytical techniques such as SEM, IR spectroscopy, TGA/DTG, and 13C NMR spectroscopy. The Miscanthus NC is comparable in quality to basic NC types used for the manufacture of films, membranes, lacquers, nail polish, liquid bandage, artificial silk and skin.
Simultaneous refinement of inaccurate local regions and overall structure in the CASP12 protein model refinement experiment
Authors: Lee Gyu Rie , Heo Lim , Seok Chaok 
Published: October 2017

AbstractAdvances in protein model refinement techniques are required as diverse sources of protein structure information are available from low‐resolution experiments or informatics‐based computations such as cryo‐EM, NMR, homology models, or predicted residue contacts. Given semi‐reliable or incomplete structural information, structure quality of a protein model has to be improved by ab initio methods such as energy‐based simulation. In this study, we describe a new automatic refinement server method designed to improve locally inaccurate regions and overall structure simultaneously. Locally inaccurate regions may occur in protein structures due to non‐convergent or missing information in template structures used in homology modeling or due to intrinsic structural flexibilities not resolved by experimental techniques. However, such variable or dynamic regions often play important functional roles by participating in interactions with other biomolecules or in transitions between different functional states. The new refinement method introduced here utilizes diverse types of geometric operators which drive both local and global changes, and the effect of structure changes and relaxations are accumulated. This resulted in consistent refinement of both local and global structural features. Performance of this method in CASP12 is discussed.
Practical estimation of XPS binding energies using widely available quantum chemistry software
Authors: Tardio Sabrina , Cumpson Peter J. 
Published: October 2017

Chemical shifts observed in high‐resolution X‐ray photoelectron spectroscopy (XPS) spectra are normally used to determine the chemical state of the elements of interest. Often, these shifts are small, or an element is present in several oxidation states in the same sample, so that interpretation of the spectra is difficult without good reference data on binding energies of the likely constituents. In many cases, reference spectra taken from pure reference samples of the chemical components can aid the peak fitting procedure. However, reference materials are not always available, so that it becomes necessary to estimate the binding energies of likely components through quantum chemical calculations. In principle, such calculations have become much easier than in the past, due to the availability of powerful personal computers and excellent software. In practice, though, care needs to be taken in the approximations, assumptions, and settings used in applying such software to calculate binding energies.In this work, we present a general summary of the methods for the calculation of the core electron binding energies and compare the use of 2 of these methods using the popular “GAUSSIAN” software package. Furthermore, a series of results for molecules, containing elements of the second and the third row of the periodic table, are presented and compared with experimental results, in order to establish the quality and fitness‐for‐purpose of the quantum chemical‐based predictions.
The Pine‐Needle‐Inspired Structure of Zinc Oxide Nanorods Grown on Electrospun Nanofibers for High‐Performance Flexible Supercapacitors
Authors: Sami Syed Kamran , Siddiqui Saqib , Shrivastava Sajal , Lee Nae‐Eung , Chung Chan‐Hwa 
Published: October 2017

AbstractFlexible supercapacitors with high electrochemical performance and stability along with mechanical robustness have gained immense attraction due to the substantial advancements and rampant requirements of storage devices. To meet the exponentially growing demand of microsized energy storage device, a cost‐effective and durable supercapacitor is mandatory to realize their practical applications. Here, in this work, the fabrication route of novel electrode materials with high flexibility and charge‐storage capability is reported using the hybrid structure of 1D zinc oxide (ZnO) nanorods and conductive polyvinylidene fluoride‐tetrafluoroethylene (P(VDF‐TrFE)) electrospun nanofibers. The ZnO nanorods are conformably grown on conductive P(VDF‐TrFE) nanofibers to fabricate the light‐weighted porous electrodes for supercapacitors. The conductive nanofibers acts as a high surface area scaffold with significant electrochemical performance, while the addition of ZnO nanorods further enhances the specific capacitance by 59%. The symmetric cell with the fabricated electrodes presents high areal capacitance of 1.22 mF cm−2 at a current density of 0.1 mA cm−2 with a power density of more than 1600 W kg−1. Furthermore, these electrodes show outstanding flexibility and high stability with 96% and 78% retention in specific capacitance after 1000 and 5000 cycles, respectively. The notable mechanical durability and robustness of the cell acquire both good flexibility and high performance.
Risk-Based Proactive Process Adaptation
Authors: Metzger Andreas , Bohn Philipp 
Published: October 2017

AbstractProactive process adaptation facilitates preventing or mitigating upcoming problems during process execution, such as process delays. Key for proactive process adaptation is that adaptation decisions are based on accurate predictions of problems. Previous research focused on improving aggregate accuracy, such as precision or recall. However, aggregate accuracy provides little information about the error of an individual prediction. In contrast, so called reliability estimates provide such additional information. Previous work has shown that considering reliability estimates can improve decision making during proactive process adaptation and can lead to cost savings. So far, only constant cost functions have been considered. In practice, however, costs may differ depending on the magnitude of the problem; e.g., a longer process delay may result in higher penalties. To capture different cost functions, we exploit numeric predictions computed from ensembles of regression models. We combine reliability estimates and predicted costs to quantify the risk of a problem, i.e., its probability and its severity. Proactive adaptations are triggered if risks are above a pre-defined threshold. A comparative evaluation indicates that cost savings of up to 31%, with 14.8% savings on average, may be achieved by the risk-based approach.
p-regular nonlinearity: tangency at singularity in degenerate optimization problems
Authors: Bednarczuk Ewa M. , Tretyakov Alexey 
Published: October 2017

Abstract
We investigate description of the tangent cone to the null set of a mapping F at a given point

$$x^{*}$$

x

∗

in the case when F is degenerate at

$$x^{*}$$

x

∗

. To this aim we introduce the concept of modified 2-regular mappings, which generalizes the concept of p-regular mappings. Our main result provides the description of the tangent cone to the null set of modified 2-regular mappings. With the help of this result we derive new optimality conditions for a wide class of optimization problems with equality constraints.