bluuebunny/crossref_metadata_2025_split huggingface dataset:
31P NMR assessment of the phosvitin‐iron complex in mayonnaise
Authors: Merkx Donny W.H. , Delić Faruk , Wierenga Peter A. , Hennebelle Marie , van Duynhoven John P.M. 
Published: November 2018

AbstractLipid oxidation is the main reason for the limited shelf life of mayonnaise. One of the main catalysts of this process is iron, which is introduced in its ferric (Fe(III)) form via phosvitin, an egg yolk phosphoprotein rich in phosphoserines. The binding of Fe(III) to phosvitin and its ability to establish a redox couple with Fe(II) is believed to determine the oxidation rate of unsaturated lipids. In this work, a 31P NMR based method was developed to quantify loading of phosvitin with Fe(III) and its reductive release. Both features could be quantified in model phosvitin solutions by exploiting the paramagnetic broadening of 31P NMR signal of phosphoserine residues by Fe(III). This method was then successfully applied to quantify the phosvitin‐Fe(III) loading in mayonnaise water phase by liquid NMR, whereas 31P NMR MAS could only provide a qualitative measure. The 31P NMR method showed a direct relation between loading of the Fe(III)‐phosvitin complex and lipid oxidation.
Hydrogen bonding networks in gabapentin protic pharmaceutical salts: NMR and in silico studies
Authors: Martins Inês C.B. , Sardo Mariana , Čendak Tomaž , Gomes José R.B. , Rocha João , Duarte M. Teresa , Mafra Luís 
Published: November 2018

AbstractHydrogen bonds (HBs) play a key role in the supramolecular arrangement of crystalline solids and, although they have been extensively studied, the influence of their strength and geometry on crystal packing remains poorly understood. Here we describe the crystal structures of two novel protic gabapentin (GBP) pharmaceutical salts prepared with the coformers methanesulfonic acid (GBP:METHA) and ethanesulfonic acid (GBP:ETHA). This study encompasses experimental and computational electronic structure analyses of 1H NMR chemical shifts (CSs), upon in silico HB cleavage. GBP:METHA and GBP:ETHA crystal packing comprise two main structural domains: an ionic layer (characterized by the presence of charge‐assisted +NHGBP⋯O−METHA/ETHA HB interactions) and a neutral layer generated in a different way for each salt, mainly due to the presence of bifurcated HB interactions. A comprehensive study of HB networks is presented for GBP:METHA, by isolating molecular fragments involved in distinct HB types (NH⋯O, OH⋯O, and CH⋯O) obtained from in silico disassembling of an optimized three‐dimensional packing structure. Formation of HB leads to calculated 1H NMR CS changes from 0.4 to ~5.8 ppm. This study further attempts to assess how 1H NMR CS of protons engaged in certain HB are affected when other nearby HB, involving bifurcated or geminal/vicinal hydrogen atoms, are removed.
A new computation method for signature: Markov process method
Authors: Yi He , Cui Lirong 
Published: November 2018

AbstractSystem signature is a crucial measure in the description and comparison of system structures in the field of reliability, and it does not depend on the component distributions under the assumption that all components are independent and identically distributed. A Markov process method is proposed to compute signatures for general coherent systems in this paper, which is more efficient for the computation of the system signature. As applications of the method, signature formulas of consecutive‐k‐out‐of‐n: F systems and related consecutive‐type systems are investigated, including both the linear and circular ones. Particularly, the related signature formulas for consecutive‐type systems with sparse d are derived for the first time. Illustrative examples are presented for methane reformer furnace systems.
Utility‐based shortfall risk: Efficient computations via Monte Carlo
Authors: Hu Zhaolin , Zhang Dali 
Published: November 2018

AbstractWith the development of financial risk management, the notion of convex risk measures has been proposed and has gained increasing attentions. Utility‐based shortfall risk (SR), as a specific and important class of convex risk measures, has become popular in recent years. In this paper we focus on the computational aspects of SR, which are significantly understudied but fundamental for risk assessment and management. We discuss efficient estimation, optimization, and sensitivity analysis of SR, based on Monte Carlo techniques and stochastic optimization methods. We also conduct extensive numerical studies on the proposed approaches. The numerical results further demonstrate the effectiveness of these approaches.
An alternative metafrontier framework for measuring the heterogeneity of technology
Authors: Wang Qunwei , Hang Ye , Hu Jin‐Li , Chiu Ching‐Ren 
Published: November 2018

AbstractThe metafrontier framework proposed by O'Donnell et al. enables the evaluation of relative efficiencies for decision‐making units (DMUs) operating under heterogeneous technologies. The metatechnology ratio (MTR) constructed under the metafrontier framework helps estimate the gap between group frontiers and the metafrontier, with its score between 0 and 1. However, an unreasonable MTR value (ie, greater than 1) may appear when the traditional metafrontier framework is applied in the nonradial data envelopment analysis (DEA) models. This article proposes an alternative metafrontier framework for addressing this issue. The newly constructed technology gap measurement (TGM) can avoid unreasonable technology gap ratio values in nonradial DEA models and substitute for MTR in radial DEA models. To demonstrate how this alternative metafrontier approach works, this article applies it to the efficiency evaluation of regional transportation sectors in China.
What's in a name? Molecular subclassification of sarcomas creates fresh challenges
Authors: Díaz‐Martín Juan , Biscuola Michele , Benoit Jonatan , Marcilla David , Civantos Gema , de Álava Enrique 
Published: November 2018

AbstractThis commentary addresses the issue of the classification of sarcomas in the article written by Watson and colleagues published recently in this journal. The article delves into the molecular characterization and distinct phenotypes of some recently described entities (e.g. BCOR‐rearranged sarcomas, CIC‐fused sarcomas) and describes new groups with common characteristics. This commentary focuses on several questions raised in the article, such as what makes a group of sarcomas become a clinical entity, which should be the main driver of sarcoma classification, how the classification of small round cell sarcomas is expected to evolve and how high‐throughput techniques could be applied to sarcoma diagnosis in the short term. Copyright © 2018 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
TLC‐MALDI‐TOF‐MS‐based identification of flavonoid compounds using an inorganic matrix
Authors: Fougère Laëtitia , Da Silva David , Destandau Emilie , Elfakir Claire 
Published: November 2018

AbstractIntroductionThin layer chromatography (TLC) is frequently used to obtain the fingerprint of a plant extract. Although the retardation factor and the response to visualisation give primary information about compound identification, the direct TLC‐mass spectrometry (MS) coupling allows a more detailed characterisation of samples.ObjectivesTo demonstrate the potential for the flavonoid dereplication using an inorganic matrix‐assisted laser desorption ionisation time‐of‐flight mass spectrometry (MALDI‐TOF‐MS) method with and without TLC separation.Material and MethodsSamples derived from wine, apple or rose were deposited on an aluminium‐backed silica gel TLC sheet compatible with the MS adapter. Unlike the wine sample, for apple and rose samples compound derivatisation was necessary. These two samples were deposited twice and the plate was cut in two parts. One half was oversprayed with Neu‐Peg reagent to visualise flavonoids while the inorganic matrix was deposited on each flavonoid zone on the second half for MS ionisation.ResultsMass spectra obtained for samples without plate development showed numerous ions corresponding to glycosylated flavonoids. The lower m/z observed could be due either to aglycone flavonoids or to in‐source fragment ions. After plate development, a separation of many spots was observed and each spot was analysed separately leading to a deeper identification of the present flavonoids. Moreover, isobaric flavonoids with different hRf values could be differentiated.ConclusionTLC‐MALDI‐TOF‐MS using an inorganic matrix enabled the analysis of anthocyanins in positive mode and of flavonols, flavanols, dihydrochalcones and phenolic acids in negative mode, reducing adduct, aggregate forms giving thus simple and reliable spectra for the dereplication approach of flavonoids in complex samples.
High‐performance electromagnetic interference shielding material based on an effective mixing protocol
Authors: Kunjappan Aswathi M , Poothanari Mohammed A , Ramachandran Ajitha A , Padmanabhan Moothetty , Mathew Lovely , Thomas Sabu 
Published: November 2018

AbstractA facile and economic method is developed for the fabrication of new lightweight materials with high electromagnetic interference (EMI) shielding performance, good mechanical properties and low electrical percolation threshold through melt mixing. Electrical properties, DC conductivity, EMI shielding performance and mechanical properties of poly(trimethylene terephthalate) (PTT)/multiwalled carbon nanotube (MWCNT) nanocomposites with varying filler loading of MWCNTs were investigated. High‐resolution transmission electron microscopy was used to determine the distribution of MWCNTs in the PTT matrix. The newly developed nanocomposites show excellent dielectric and EMI shielding properties. Theoretical electrical percolation threshold was achieved at 0.21 wt% loading of MWCNTs, due to the high aspect ratio and the three‐dimensional network formation of MWCNTs. Experimental DC conductivity values were compared with those of theoretical models such as the Voet, Bueche and Scarisbrick models, which showed good agreement. The PTT/3% MWCNT composite showed an EMI shielding value of ∼38 dB (99.99% attenuation) with a sample thickness of 2 mm. Power balance was used to determine the actual contribution of reflection, absorption and transmission loss to the total EMI shielding value. The nanocomposites showed good tensile and impact properties and the composite with 2% MWCNTs exhibited an improvement in tensile strength of as much as 96%. © 2018 Society of Chemical Industry
Proteomic Profiling of LPS‐Induced Macrophage‐Derived Exosomes Indicates Their Involvement in Acute Liver Injury
Authors: Wang Guozhen , Jin Siyi , Ling Xuguang , Li Yang , Hu Ye , Zhang Yijie , Huang Yun , Chen Tingting , Lin Jiayi , Ning Zuowei , Meng Ying , Li Xu 
Published: November 2018

AbstractExosomes are typically involved in cellular communication and signaling. Macrophages play a key role in lipopolysaccharide (LPS)‐induced sepsis. However, the molecular comparison of exosomes derived from LPS‐induced macrophage has not been well analyzed. The macrophage‐exosomes are validated and the protein composition of those exosomes are investigated by isobaric tags for relative and absolute quantification (iTRAQ) mass spectrometry. A total of 5056 proteins are identified in macrophage‐exosomes. We discovered 341 increased proteins and 363 reduced proteins in LPS‐treated macrophage‐exosomes compared with control exosomes. In addition, gene ontology analysis demonstrates that macrophage‐exosomes proteins are mostly linked to cell, organelle, extracellular region, and membrane. The bioinformatics analysis also indicates that these proteins are mainly involved in cellular process, single‐organism process, metabolic process, and biological regulation. Among these 341 upregulated proteins, Kyoto Encyclopedia of Genes and Genomes analysis reveals that 22 proteins are involved in the NOD‐like receptor signaling pathway. Finally, hepatocytes can uptake macrophage‐exosomes and subsequently NLRP3 inflammasome is activated in vitro and in vivo. These data emphasize the fundamental importance of macrophage‐exosomes in sepsis‐induced liver injury. Therefore, the iTRAQ proteomic strategy brings new insights into macrophage‐derived exosomes. It may improve our understanding of macrophage‐exosomes’ functions and their possible use as therapeutic targets for sepsis.
Stretching‐induced phase transition of the butene‐1/ethylene random copolymer: Orientation and kinetics
Authors: Wang Wei , Shao Chunguang , Zheng Lirong , Wang Bin , Pan Li , Ma Guiqiu , Li Yuesheng , Wang Yaming , Liu Chuntai , Ma Zhe 
Published: November 2018

ABSTRACTThe stretching‐induced phase transition from tetragonal Form II to hexagonal Form I and the evolution of corresponding crystallite orientation were studied for the butene‐1/ethylene random copolymer with 1.5 mol % ethylene by using a combination of tensile test and in situ wide‐angle X‐ray diffraction. Three orientation pathways were distinguished for II‐I phase transition, including phase transition accomplishing within off‐axis oriented crystallites (Orientation Pathway 1), phase transition with simultaneous formation of highly oriented crystallites (Orientation Pathway 2), and phase transition occurring within the highly oriented crystallites already formed (Orientation Pathway 3). The kinetics of II‐I transition was correlated with the macroscopic mechanical response, which exhibits a strong dependence on orientation. In Orientation Pathway 1, the triggering of phase transition corresponds to the mechanical yielding. More interestingly, the kinetics of transition exhibits the identical dependence on stress. However, in Orientation Pathways 2 and 3, appearance of the highly oriented crystallites substantially alters transition kinetics, which is tentatively associated with the stress bearing by interstack tie chains. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2019, 57, 116–126
Examining peer support and survivorship for African American women with breast cancer
Authors: Nicks Shannon E. , Wray Ricardo J. , Peavler Olivia , Jackson Sherrill , McClure Stephanie , Enard Kimberly , Schwartz Theresa 
Published: November 2018

AbstractObjectiveMore than 3.5 million female breast cancer (BrCa) survivors live in the United States, and the number continues to grow. Health status and quality of life among survivors are variable, and African American (AA) survivors suffer disproportionately from BrCa morbidity and mortality. Emerging evidence suggests that peer support is an effective strategy to promote positive survivorship outcomes for AA BrCa survivors. This study aimed to explore the role of peer support in the BrCa experiences of AA survivors.MethodsWorking collaboratively with The Breakfast Club, Inc. (BCI), a community‐based BrCa peer support organization, we conducted a quasiexperiment to compare the BrCa experiences of AA survivors. We conducted in‐depth interviews with two survivor groups (N = 12 per group), categorized according to receiving peer support during their BrCa experiences.ResultsSurvivors who received peer support reported greater access to and utilization of alternative support sources, more capacity to process BrCa‐related stress, and improved quality of life and adjustment to life as BrCa survivors compared with those who did not receive peer support.ConclusionsPeer relationships provide consistent, quality social support. Consistent peer support helps survivors cope with the continued stress of BrCa, with implications for psychosocial health and quality of life. Findings expand our current understanding of peer support and may enable public health and clinical practitioners to better recognize and intervene with those for whom additional support services are needed.
MALDI‐Imaging for Classification of Epithelial Ovarian Cancer Histotypes from a Tissue Microarray Using Machine Learning Methods
Authors: Klein Oliver , Kanter Frederic , Kulbe Hagen , Jank Paul , Denkert Carsten , Nebrich Grit , Schmitt Wolfgang D. , Wu Zhiyang , Kunze Catarina A. , Sehouli Jalid , Darb‐Esfahani Silvia , Braicu Ioana , Lellmann Jan , Thiele Herbert , Taube Eliane T. 
Published: November 2018

PurposePrecise histological classification of epithelial ovarian cancer (EOC) has immanent diagnostic and therapeutic consequences, but remains challenging in histological routine. The aim of this pilot study is to examine the potential of matrix‐assisted laser desorption/ionization (MALDI) imaging mass spectrometry in combination with machine learning methods to classify EOC histological subtypes from tissue microarray.Experimental designFormalin‐fixed‐paraffin‐embedded tissue of 20 patients with ovarian clear‐cell, 14 low‐grade serous, 19 high‐grade serous ovarian carcinomas, and 14 serous borderline tumors are analyzed using MALDI‐Imaging. Classifications are computed by linear discriminant analysis (LDA), support vector machines with linear (SVM‐lin) and radial basis function kernels (SVM‐rbf), a neural network (NN), and a convolutional neural network (CNN).ResultsMALDI‐Imaging and machine learning methods result in classification of EOC histotypes with mean accuracy of 80% for LDA, 80% SVM‐lin, 74% SVM‐rbf, 83% NN, and 85% CNN. Based on sensitivity (69–100%) and specificity (90–99%), CCN and NN are most suited to EOC classification.Conclusion and clinical relevanceThe pilot study demonstrates the potential of MALDI‐Imaging derived proteomic classifiers in combination with machine learning algorithms to discriminate EOC histotypes. Applications may support the development of new prognostic parameters in the assessment of EOC.
Improvement of the 15N gas flux method for in situ measurement of soil denitrification and its product stoichiometry
Authors: Well Reinhard , Burkart Stefan , Giesemann Anette , Grosz Balázs , Köster Jan Reent , Lewicka‐Szczebak Dominika 
Published: November 2018

RationaleField measurement of denitrification in agricultural ecosystems using the 15N gas flux method has been limited by poor sensitivity because current isotope ratio mass spectrometry is not precise enough to detect low 15N2 fluxes in the presence of a high atmospheric N2 background. For laboratory studies, detection limits are improved by incubating soils in closed systems and under N2‐depleted atmospheres.MethodsWe developed a new procedure to conduct the 15N gas flux method suitable for field application using an artificially N2‐depleted atmosphere to improve the detection limit at the given precision of mass spectrometry. Laboratory experiments with and without 15N‐labelling and using different flushing strategies were conducted to develop a suitable field method. Subsequently, this method was tested in the field and results were compared with those obtained from the conventional 15N gas flux method.ResultsResults of the two methods were in close agreement showing that the denitrification rates determined were not biased by the flushing procedure. Best sensitivity for N2 + N2O fluxes was 10 ppb, which was 80‐fold better than that of the reference method. Further improvement can be achieved by lowering the N2 background concentration below the values established in the present study.ConclusionsIn view of this progress in sensitivity, the new method will be suitable to measure denitrification dynamics in the field beyond peak events.
A comprehensive multimodality heart motion prediction algorithm for robotic‐assisted beating heart surgery
Authors: Mansouri Saeed , Farahmand Farzam , Vossoughi Gholamreza , Ghavidel Alireza Alizadeh 
Published: November 2018

AbstractBackgroundAn essential requirement for performing robotic‐assisted surgery on a freely beating heart is a prediction algorithm that can estimate the future heart trajectory.MethodHeart motion, respiratory volume (RV) and electrocardiogram (ECG) signal were measured from two dogs during thoracotomy surgery. A comprehensive multimodality prediction algorithm was developed based on the multivariate autoregressive model to incorporate the heart trajectory and cardiorespiratory data with multiple inherent measurement rates explicitly.ResultsExperimental results indicated strong relationships between the dominant frequencies of heart motion with RV and ECG. The prediction algorithm revealed a high steady state accuracy, with the root mean square (RMS) errors in the range of 82 to 162 μm for a 300‐second interval, less than half of that of the best competitor.ConclusionThe proposed multimodality prediction algorithm is promising for practical use in robotic assisted beating heart surgery, considering its capability of providing highly accurate predictions in long horizons.
An integration approach of hybrid databases based on SQL in cloud computing environment
Authors: Li Changqing , Gu Jianhua 
Published: November 2018

SummaryAs the applications with big data in cloud computing environment grow, many existing systems expect to expand their service to support the dramatic increase of data, and modern software development for services computing and cloud computing software systems is no longer based on a single database but on existing multidatabases and this convergence needs new software architecture design. This paper proposes an integration approach to support hybrid database architecture, including MySQL, MongoDB, and Redis, to make it possible of allowing users to query data simultaneously from both relational SQL systems and NoSQL systems in a single SQL query. Two mechanisms are provided for constructing Redis's indexes and semantic transforming between SQL and MongoDB API to add the SQL feature for these NoSQL databases. With the proposed approach, hybrid database systems can be performed in a flexible manner, ie, access can be either relational database or NoSQL, depending on the size of data. The approach can effectively reduce development complexity and improve development efficiency of the software systems with multidatabases. This is the result of further research on the related topic, which fills the gap ignored by relevant scholars in this field to make a little contribution to the further development of NoSQL technology.