bluuebunny/crossref_metadata_2025 huggingface dataset:
A comparison between wishes and status: Gray is not the preference for residents while the city shows neutral colors
Authors: Gou Aiping , Wang Jiangbo
Published: April 2017

Urban color has become one of the hot topics in China since 2000. To provide suggestions for making the urban color plan for Changzhou of about 253 square kilometers in 2011, the research group evaluated the visual quality of the present architectural color in real urban space and investigated the residential attitude for the present and the future ones. Open‐ended questionnaire of 1065 was taken effectively face to face accompanied with NCS Cascade 980 to understand the residents' attitude about the present architectural color in Changzhou city, and the expectations for the future. At the same time, an overall survey and evaluation on the present architectural color was conducted from the aspects of materials, functions, environmental and color relationship as well as the color code itself. Data reveal the residents' attitude to color preferences is more tolerant in hue with no special color bias, and inclined to those with obvious chroma and clear color predisposition, not very vivid, nor very dark. While the site survey shows the present color focuses mostly in high or middle‐high brightness, neutral ones. In site evaluation and analysis, architecture obtained good scores are those have obviously color predisposition. Colors that are inclined to good scores still have obvious color tendency but is lighter than that of good ones and mostly concentrate in the middle high and high brightness. Although still shows warm colors the most, the color tendency was not so obvious and the proportion of grayish ones increased. As to colors inclined to bad, very large proportion of grayish color existed. Actually, the most insurance color people usually thought, if has no good façade form supporting, is difficult to obtain a pleasant visual effect. Also, if the material is not in agreement with the color, the visual effect will be even worse.
An aesthetic measurement method for matching colours in product design
Authors: Hsiao Shih‐Wen , Yang Meng‐Hua , Lee Chu‐Hsuan
Published: April 2017

Since it is important to know how to evaluate human emotions reflected in the image of a product during the process of product design precisely, a means of evaluating the aesthetic measurement of the image of a product with colour matching is proposed in this article. This method entails a solid visual angle of the subject, the distribution of colour‐area ratios, and colour images as experimental samples for colour matching. The evaluation was conducted based on a formula of the aesthetic measurement of the coloured area. To ensure that the entire practical colour co‐ordinate system was covered, 111 coloured chips were distributed throughout the implementation procedure. The aesthetic measure of colour harmony in this study was calculated based on aesthetic measure theory; moreover, each of the three given images received three symbolic colour combinations before using the fuzzy theory to determine the relationship between the image and the colour combinations of the products. Observers' evaluations of the fuzzy theory and the aesthetic measurement model were then compared, and the results showed that the proposed method succeeded in obtaining a high degree of satisfaction for the top 2 ranked samples in the aesthetic measurement model evaluation and human evaluation. Although only 2 product designs were used as examples for performing the evaluation procedure, the procedure can also be applied to other products.
A comparative study on using linear programming and simulated annealing in the optimal realization of a SC filter
Authors: Shi Guoyong , Zhang Ailin , Gu Yanjie
Published: April 2017

The switched‐capacitor (SC) circuit realization problem is traditionally solved by heuristic algorithms. However, an algorithm‐like simulated annealing (SA) is stochastic, and its behavior in solving a non‐convex optimization problem is unpredictable. In this paper, we make an investigation on using a deterministic and a stochastic optimization algorithm for solving the realization problem of the classical Fleischer–Laker SC filter. By considering minimum area as the design goal, we prove that the a linear programming‐based deterministic algorithm is capable of finding a global minimum. With the global optimality established, we then use an SA algorithm to solve the same problem in purpose of investigating the search capability of the SA algorithm. We find that the stochastic SA algorithm cannot always reach a suboptimal solution with quality comparable with the linear programming result. Other issues like convergence speed and the percentage of arriving at the global minimum are examined as well. This research exposes that understanding the underlying optimization problem structure for the realization of SC circuits is of fundamental meaning for developing more efficient heuristic algorithms. Copyright © 2017 John Wiley & Sons, Ltd.
Pneumocytoma (sclerosing hemangioma), a potential pitfall
Authors: Hissong Erika , Rao Rema
Published: April 2017

Pneumocytoma is an uncommon benign tumor of the lung, derived from primitive respiratory epithelium, with a predilection for middle‐aged females. A single, well‐circumscribed mass is commonly identified on imaging, necessitating pathologic evaluation for further assessment. Fine‐needle aspiration cytology is a minimally invasive and cost‐effective method that can be utilized in the diagnosis of these lesions. Yet, distinction of pneumocytoma from other entities such as well‐differentiated adenocarcinoma or carcinoid tumor can be quite challenging. Herein, we describe a case initially misdiagnosed as lung adenocarcinoma on FNA that was proven to be pneumocytoma on subsequent resection. This report highlights the importance of recognizing key cytologic features of pneumocytoma, namely the papillary architecture, dual cell population, and the hemorrhagic background with foamy macrophages, among others. An accurate preoperative diagnosis of this entity provides optimal patient management, as conservative surgical excision is curative. Diagn. Cytopathol. 2017;45:744–749. © 2017 Wiley Periodicals, Inc.
Reproductive ecology of interior least tern and piping plover in relation to Platte River hydrology and sandbar dynamics
Authors: Farnsworth Jason M. , Baasch David M. , Smith Chadwin B. , Werbylo Kevin L.
Published: April 2017

Investigations of breeding ecology of interior least tern (Sternula antillarum athalassos) and piping plover (Charadrius melodus) in the Platte River basin in Nebraska, USA, have embraced the idea that these species are physiologically adapted to begin nesting concurrent with the cessation of spring floods. Low use and productivity on contemporary Platte River sandbars have been attributed to anthropomorphically driven changes in basin hydrology and channel morphology or to unusually late annual runoff events. We examined distributions of least tern and piping plover nest initiation dates in relation to the hydrology of the historical central Platte River (CPR) and contemporary CPR and lower Platte River (LPR). We also developed an emergent sandbar habitat model to evaluate the potential for reproductive success given observed hydrology, stage–discharge relationships, and sandbar height distributions. We found the timing of the late‐spring rise to be spatially and temporally consistent, typically occurring in mid‐June. However, piping plover nest initiation peaks in May and least tern nest initiation peaks in early June; both of which occur before the late spring rise. In neither case does there appear to be an adaptation to begin nesting concurrent with the cessation of spring floods. As a consequence, there are many years when no successful reproduction is possible because emergent sandbar habitat is inundated after most nests have been initiated, and there is little potential for successful renesting. The frequency of nest inundation, in turn, severely limits the potential for maintenance of stable species subpopulations on Platte River sandbars. Why then did these species expand into and persist in a basin where the hydrology is not ideally suited to their reproductive ecology? We hypothesize the availability and use of alternative off‐channel nesting habitats, like sandpits, may allow for the maintenance of stable species subpopulations in the Platte River basin.
Estimating utilization distributions from fitted step‐selection functions
Authors: Signer Johannes , Fieberg John , Avgar Tal
Published: April 2017

Habitat‐selection analyses are often used to link environmental covariates, measured within some spatial domain of assumed availability, to animal location data that are assumed to be independent. Step‐selection functions (SSFs) relax this independence assumption, by using a conditional model that explicitly acknowledges the spatiotemporal dynamics of the availability domain and hence the temporal dependence among successive locations. However, it is not clear how to produce an SSF‐based map of the expected utilization distribution. Here, we used SSFs to analyze virtual animal movement data generated at a fine spatiotemporal scale and then rarefied to emulate realistic telemetry data. We then compared two different approaches for generating maps from the estimated regression coefficients. First, we considered a naïve approach that used the coefficients as if they were obtained by fitting an unconditional model. Second, we explored a simulation‐based approach, where maps were generated using stochastic simulations of the parameterized step‐selection process. We found that the simulation‐based approach always outperformed the naïve mapping approach and that the latter overestimated home‐range size and underestimated local space‐use variability. Differences between the approaches were greatest for complex landscapes and high sampling rates, suggesting that the simulation‐based approach, despite its added complexity, is likely to offer significant advantages when applying SSFs to real data.
Consequences of distributional asymmetry in a warming environment: invasion of novel forests by the mountain pine beetle
Authors: Burke Jordan Lewis , Bohlmann Joerg , Carroll Allan L.
Published: April 2017

The range of many Holarctic forest insects does not comprise the entire range of their hosts, as they are often limited to more southern latitudes by the adverse effects of cold temperatures. Global climate warming has led to the increased potential for forest insects to invade novel habitats of native hosts within the same landmass. The mountain pine beetle (MPB;Dendroctonus ponderosae) has recently expanded into higher‐latitude forests of the principal host, lodgepole pine (Pinus contortavar.latifolia), and the susceptibility of trees is greater in these systems compared to forests in the native range. We assessed the contribution of the induced defensive response of hosts to this elevated susceptibility, and whether these discrepancies are the result of coevolution with host populations within the historic native range of the insect. We challenged trees using paired treatments of a beetle‐attack simulation and a generic defensive response elicitor (methyl jasmonate) to mitigate variability in the induced response among trees within and among populations, from within and outside the historic range of the beetle. We then assessed the production of monoterpene chemicals by the trees in response to treatments using gas chromatography/mass spectrometry. The differential induction of monoterpenes in response to simulated beetle attack relative to the generic elicitor was highest in populations with the highest putative historic exposure to MPB. Elevated susceptibility and invasion potential of the beetle in novel systems is the proximate result of reduced defensive capacity, ultimately arising from a lack of coevolution with the beetle in novel systems. In forested systems with climate‐driven herbivore–host distributional asymmetry, continued warming will potentially exacerbate the impacts of aggressive insect herbivores as they invade defensively naïve host populations.
Design, Synthesis, and Evaluation of N‐(tert‐Butyl)‐Alanine‐Derived Chiral Ligands – Aspects of Reactivity and Diastereoselectivity in the Reactions with α‐Amino Acids
Authors: Bremerich Maximilian , Bolm Carsten , Raabe Gerhard , Soloshonok Vadim A.
Published: April 2017

N‐(2‐Benzoylphenyl)‐2‐(tert‐butylamino)propanamide has been designed as an advanced chiral auxiliary for the general asymmetric synthesis of α‐amino acids by in situ formation of the corresponding Schiff bases with amino acids followed by complexation with NiII ions and base‐catalyzed thermodynamic equilibrium. The first discovery stage described in this work has been focused on the exploration of stereocontrolling properties of the compound as a function of the reaction conditions and structural facets of various α‐amino acids. By using reactions with unprotected α‐amino acids as a model process, it was found that the corresponding Schiff base–NiII complexes were formed in a straightforward manner with both good to excellent chemical yields (73–99 %) and diastereoselectivity (74–26 to >98–2). The observed stereochemical outcome bodes well with the wide synthetic applications of this new type of 2‐(tert‐butylamino)propanamide‐derived chiral auxiliary.
Photocatalysis in Organic Synthesis – Past, Present, and Future
Authors: König Burkhard
Published: April 2017

The use of visible light as a catalyst in organic reactions has developed greatly in the last decade as a result of the increasing urge to implement energy‐efficient and green processes and through the availability of light‐emitting diodes as convenient sources of visible light. Although photoredox reactions with visible light have been used in a broad range of transformations, the mechanism behind these reactions needs to be understood to design better catalytic systems.
First Total Synthesis of the Cytotoxic Carbazole Alkaloid Excavatine‐A and Regioselective Annulation to Pyrano[2,3‐a]carbazoles and [1,4]Oxazepino[2,3,4‐jk]carbazoles
Authors: Brütting Christian , Kataeva Olga , Schmidt Arndt W. , Knölker Hans‐Joachim
Published: April 2017

We describe the first total synthesis of the cytotoxic carbazole alkaloid excavatine‐A. The carbazole framework was constructed through double C–H bond activation of a diarylamine by using our palladium(II)‐catalyzed oxidative cyclization. Treatment of the intermediate 8‐hydroxycarbazoles with prenal and different additives led either to pyrano[2,3‐a]carbazoles or to [1,4]oxazepino[2,3,4‐jk]carbazoles. The pyran annulation was investigated to determine the influence of substitution pattern, additives, and reaction time on the selectivity.
Synthesis, characterization, and electrophoretic concentration of titanium dioxide nanoparticles in AOT microemulsions
Authors: Bulavchenko Alexander I. , Shaparenko Nikita O. , Demidova Marina G.
Published: April 2017

Stable organosols of TiO2 nanoparticles were prepared by hydrolysis of titanium tetraisopropoxide (TTIP) in microemulsions of sodium bis(2‐ethylhexyl)sulfoxynate (АОТ) in n‐decane with increasing the content of aqueous pseudophase from 0.15 to 0.85 vol.%. As the water content increased, the hydrodynamic diameter of nanoparticles grew from 10 to 225 nm, and the  ζ‐potential, from ‐6 to 18 mV (the surface of TiO2 nanoparticles was recharged when the water content was 0.45 vol.%). Nonaqueous electrophoresis in a capacitor‐type cell made it possible to concentrate nanoparticles with a diameter of 60 to 225 nm (concentration factor was 10), separate 20 nm and 225 nm particles, and decrease the content of АОТ in organosol by an order of magnitude. Preparation of a concentrate of nanoparticles with a low content (0.015 M) of AOT included the following stages: (i) electrophoresis after synthesis; (ii) sampling of the concentrate and its twenty‐fold dilution with pure n‐decane; and (iii) repeated electrophoresis. In situ laser and spectrophotometric scanning of the interelectrode space showed the formation of a sharp boundary between the raffinate and the layer of moving nanoparticles during electrophoresis.
Self‐Supported Cobalt Nickel Nitride Nanowires Electrode for Overall Electrochemical Water Splitting
Authors: Han Lei , Feng Kun , Chen Zhongwei
Published: April 2017

The design and synthesis of electrocatalysts possessing both hydrogen and oxygen evolution activity is of critical importance to simplify the water splitting system. In this work, we reported the preparation of porous Ni–Co nitride nanowires (NiCoN NWs) supported on carbon cloth, and used as bifunctional electrocatalysts to achieve overall water splitting. Benefiting from the 1D porous nanowire structure, the close contact between catalysts and support, and the increased conductivity, the resultant NiCoN NWs exhibited high activities in both the hydrogen and oxygen evolution reactions (HER and OER) with low overpotential at a current density of 10 mA cm−2 (≈145 mV for HER and 360 mV for OER), low Tafel slope (105.2 mV dec−1 for HER and 46.9 mV dec−1 for OER), and good electrochemical stability. Good stability was also obtained upon using the material as HER and OER catalysts in a two‐electrode system to split water.
PARX model for football match predictions
Authors: Angelini Giovanni , De Angelis Luca
Published: April 2017

We propose an innovative approach to model and predict the outcome of football matches based on the Poisson autoregression with exogenous covariates (PARX) model recently proposed by Agosto, Cavaliere, Kristensen, and Rahbek (Journal of Empirical Finance, 2016, 38(B), 640–663). We show that this methodology is particularly suited to model the goal distribution of a football team and provides a good forecast performance that can be exploited to develop a profitable betting strategy. This paper improves the strand of literature on Poisson‐based models, by proposing a specification able to capture the main characteristics of goal distribution. The betting strategy is based on the idea that the odds proposed by the market do not reflect the true probability of the match because they may also incorporate the betting volumes or strategic price settings in order to exploit betters' biases. The out‐of‐sample performance of the PARX model is better than the reference approach by Dixon and Coles (Applied Statistics, 1997, 46(2), 265–280). We also evaluate our approach in a simple betting strategy, which is applied to English football Premier League data for the 2013–2014, 2014–2015, and 2015–2016 seasons. The results show that the return from the betting strategy is larger than 30% in most of the cases considered and may even exceed 100% if we consider an alternative strategy based on a predetermined threshold, which makes it possible to exploit the inefficiency of the betting market.
Brucella abortus‐activated microglia induce neuronal death through primary phagocytosis
Authors: Rodríguez Ana M. , Delpino M. Victoria , Miraglia M. Cruz , Costa Franco Miriam M. , Barrionuevo Paula , Dennis Vida A. , Oliveira Sergio C. , Giambartolomei Guillermo H.
Published: April 2017

Inflammation has long been implicated as a contributor to pathogenesis in neurobrucellosis. Many of the associated neurocognitive symptoms of neurobrucellosis may be the result of neuronal dysfunction resulting from the inflammatory response induced by Brucella abortus infection in the central nervous system. In this manuscript, we describe an immune mechanism for inflammatory activation of microglia that leads to neuronal death upon B. abortus infection. B. abortus was unable to infect or harm primary cultures of mouse neurons. However, when neurons were co‐cultured with microglia and infected with B. abortus significant neuronal loss occurred. This phenomenon was dependent on TLR2 activation by Brucella lipoproteins. Neuronal death was not due to apoptosis, but it was dependent on the microglial release of nitric oxide (NO). B. abortus infection stimulated microglial proliferation, phagocytic activity and engulfment of neurons. NO secreted by B. abortus‐activated microglia induced neuronal exposure of the “eat‐me” signal phosphatidylserine (PS). Blocking of PS‐binding to protein milk fat globule epidermal growth factor‐8 (MFG‐E8) or microglial vitronectin receptor‐MFG‐E8 interaction was sufficient to prevent neuronal loss by inhibiting microglial phagocytosis without affecting their activation. Taken together, our results indicate that B. abortus is not directly toxic to neurons; rather, these cells become distressed and are killed by phagocytosis in the inflammatory surroundings generated by infected microglia. Neuronal loss induced by B. abortus‐activated microglia may explain, in part, the neurological deficits observed during neurobrucellosis.
Brain atrophy can introduce age‐related differences in BOLD response
Authors: Liu Xueqing , Gerraty Raphael T. , Grinband Jack , Parker David , Razlighi Qolamreza R.
Published: April 2017

Use of functional magnetic resonance imaging (fMRI) in studies of aging is often hampered by uncertainty about age‐related differences in the amplitude and timing of the blood oxygenation level dependent (BOLD) response (i.e., hemodynamic impulse response function (HRF)). Such uncertainty introduces a significant challenge in the interpretation of the fMRI results. Even though this issue has been extensively investigated in the field of neuroimaging, there is currently no consensus about the existence and potential sources of age‐related hemodynamic alterations. Using an event‐related fMRI experiment with two robust and well‐studied stimuli (visual and auditory), we detected a significant age‐related difference in the amplitude of response to auditory stimulus. Accounting for brain atrophy by circumventing spatial normalization and processing the data in subjects' native space eliminated these observed differences. In addition, we simulated fMRI data using age differences in brain morphology while controlling HRF shape. Analyzing these simulated fMRI data using standard image processing resulted in differences in HRF amplitude, which were eliminated when the data were analyzed in subjects' native space. Our results indicate that age‐related atrophy introduces inaccuracy in co‐registration to standard space, which subsequently appears as attenuation in BOLD response amplitude. Our finding could explain some of the existing contradictory reports regarding age‐related differences in the fMRI BOLD responses. Hum Brain Mapp 38:3402–3414, 2017. © 2017 Wiley Periodicals, Inc.
Diagnosis and management of neuropathies associated with plasma cell dyscrasias
Authors: Rosenbaum Evan , Marks Douglas , Raza Shahzad
Published: April 2017

Neuropathies associated with plasma cell dyscrasias are a major cause of morbidity for patients managed by medical oncologists. Because of similarities in clinical presentation and on nerve conduction studies, identifying the underlying disease leading to a paraproteinemic neuropathy can often be difficult. In addition, the degree of neurologic deficit does not strictly correlate with the extent of abnormalities on common clinical laboratory testing. Fortunately, with increasing understanding into the biologic mechanisms of underlying hematologic diseases, additional biomarkers have recently been developed, thus improving our diagnostic capacity. Neuropathies associated with plasma cells dyscrasias are seen with Monoclonal gammopathy of undetermined significance (MGUS) particularly IgM subtype, followed by IgG and IgA MGUS, multiple myeloma, Waldenström's macroglobulinemia, amyloid, Castleman's disease, and POEMS syndrome. The mechanisms of neuronal injury associated with plasma cell dyscrasia vary based on underlying diagnosis and include malignant infiltration, immune‐mediated antibody deposition, or local compression of nerve roots. The polyneuropathies are frequently demyelinating, although axonal and mixed neuropathies can also be seen. As demonstrated by the cases included in this review, patients frequently present with symmetric sensory disturbance, followed by progressive motor weakness. Unfortunately, because of the complexity of diagnostic testing, patients are frequently examined late, often after receiving several ineffective therapies. The aim of this case‐based review is to provide clinicians with insight on how to properly recognize these atypical neuropathies and send the appropriate diagnostic work, increasing the likelihood of accurately classify the patient's underlying hematologic disorder.
Genome resequencing analysis of Salmonella typhimurium LT‐2 strains TA98 and TA100 for the establishment of a next‐generation sequencing‐based mutagenicity assay
Authors: Matsumura Shoji , Ito Yuichi , Morita Osamu , Honda Hiroshi
Published: April 2017

Next‐generation sequencing (NGS) is a potentially useful technology to achieve a more precise evaluation of chemical mutagenicity. To establish NGS‐based mutagenicity assays, which enable the direct detection of chemically induced mutations in a whole genome manner, the selection of appropriate biological resources and their precise genome sequences are essential. Here, we performed genome re‐sequencing analyses of Salmonella typhimurium LT‐2 strains TA98 and TA100, which have been frequently used in mutagenicity assays. We identified several strain‐specific mutations including those that were relevant to their known phenotypes (his, ΔuvrB and rfa). The details of rfa mutations were first clarified in this study, which was a frameshift variant in rfaF and a missense variant in rfaC in TA98 and TA100, respectively. The uvrB deletion in TA98 was larger than that in TA100, which suggested differences in defects of lipopolysaccharide synthesis between these strains. The re‐sequenced genome data of TA98 and TA100 will help us establish NGS‐based bacterial mutagenicity assays and understand the biological events seen in them. Copyright © 2017 John Wiley & Sons, Ltd.
Flavonoids of Rosa roxburghii Tratt Exhibit Anti‐Apoptosis Properties by Regulating PARP‐1/AIF
Authors: Xu Ping , Liu Xingxia , Xiong Xiwen , Zhang Wenbo , Cai Xinhua , Qiu Peiyong , Hao Minghua , Wang Lijuan , Lu Dandan , Zhang Xiuhua , Yang Wancai
Published: April 2017

Radioprotection is an important approach to reduce the side‐effects of radiotherapy. The radioprotective effect of the flavonoids of Rosa roxburghii Tratt (FRT) has been confirmed, and the mechanism has been identified as theBcl‐2/caspase‐3/PARP‐1 signaling pathway. In this study, we investigated the effects of FRT on the intercellular adhesion molecule (ICAM), and vascular cell adhesion protein (VCAM) in addition to apoptosis‐related proteins such as Bax/Bcl‐2, p‐ERK/ERK, p‐p53/p53, and p‐p38/p38. In the present study, we focused on the effect of FRT on PARP‐1/AIF. Ionizing radiation triggered the activation of PARP‐1 and AIF translocation from the mitochondrion to the nucleus. The inhibition of PARP‐1/AIF signaling pathway by FRT was investigated. Our results showed that the expressions of Bax/Bcl‐2, p‐ERK/ ERK, p‐p53/p53, and p‐p38/p38 were decreased after FRT treatment compared with the radiation‐treated group. FRT inhibited PARP‐1 activation to inhibit AIF translocation from mitochondrion to nucleus. Pretreatment with FRT diminished the comet's tail and reduced fragments in six Gy‐irradiated thymocytes compared with the irradiated cells without FRT treatment. We conclude that FRT enhanced radioprotection at least partially by regulating PARP‐1/AIF to reduce apoptosis. J. Cell. Biochem. 118: 3943–3952, 2017. © 2017 Wiley Periodicals, Inc.
Identification of Key Gene Modules in Human Osteosarcoma by Co‐Expression Analysis Weighted Gene Co‐Expression Network Analysis (WGCNA)
Authors: Liu Xiangsheng , Hu Ai‐Xin , Zhao Jia‐Li , Chen Feng‐Li
Published: April 2017

Osteosarcoma is the eighth‐most common form of childhood cancer, comprising about 20% of all primary bone cancers. To date, systemic co‐expression analysis for this cancer is still insufficient to explain the pathogenesis of poorly understood OC. The objective of this study was to construct a gene co‐expression network to predict clusters of candidate genes involved in the pathogenesis of osteosarcoma. First, we contributed co‐expression modules via weighted gene co‐expression network analysis (WGCNA) and investigated the functional enrichment analysis of co‐expression genes in terms of GO and KEGG. In result, seven co‐expression modules were identified, containing 2,228 differentially expressed genes identified from the 22 human osteosarcoma samples. Subsequently, correlation study showed that the hub‐genes between pair‐wise modules displayed significant differences. Lastly, functional enrichment analysis of the co‐expression modules showed that the module 5 enriched in progresses of immune response, antigen processing, and presentation. In conclusion, we identified essential genes in module 5 which were associated to human osteosarcoma. The key genes in our findings might provide the framework of co‐expression gene modules of human osteosarcoma. Further, the functional analysis of these associated genes provides references to understand the mechanism of Osteosarcoma. J. Cell. Biochem. 118: 3953–3959, 2017. © 2017 Wiley Periodicals, Inc.
Optimization of the GBMV2 implicit solvent force field for accurate simulation of protein conformational equilibria
Authors: Lee Kuo Hao , Chen Jianhan
Published: April 2017

Accurate treatment of solvent environment is critical for reliable simulations of protein conformational equilibria. Implicit treatment of solvation, such as using the generalized Born (GB) class of models arguably provides an optimal balance between computational efficiency and physical accuracy. Yet, GB models are frequently plagued by a tendency to generate overly compact structures. The physical origins of this drawback are relatively well understood, and the key to a balanced implicit solvent protein force field is careful optimization of physical parameters to achieve a sufficient level of cancellation of errors. The latter has been hampered by the difficulty of generating converged conformational ensembles of non‐trivial model proteins using the popular replica exchange sampling technique. Here, we leverage improved sampling efficiency of a newly developed multi‐scale enhanced sampling technique to re‐optimize the generalized‐Born with molecular volume (GBMV2) implicit solvent model with the CHARMM36 protein force field. Recursive optimization of key GBMV2 parameters (such as input radii) and protein torsion profiles (via the CMAP torsion cross terms) has led to a more balanced GBMV2 protein force field that recapitulates the structures and stabilities of both helical and β‐hairpin model peptides. Importantly, this force field appears to be free of the over‐compaction bias, and can generate structural ensembles of several intrinsically disordered proteins of various lengths that seem highly consistent with available experimental data. © 2017 Wiley Periodicals, Inc.
Comparison of three multiplex PCR assays for detection of respiratory viruses: Anyplex II RV16, AdvanSure RV, and Real‐Q RV
Authors: Yun Seung Gyu , Kim Min Young , Choi Jong Moon , Lee Chang Kyu , Lim Chae Seung , Cho Yunjung , Suh In Bum
Published: April 2017

Background

Due to its great sensitivity, the nucleic acid amplification test (NAAT) is widely used for detection of respiratory viruses (RV). However, few reports have described a direct comparison between multiplex RT‐PCR assays for RV. The objective of this study was to perform a direct comparison of three multiplex RT‐PCR assays for the detection of respiratory viruses.

Methods

A total of 201 respiratory samples (161 nasopharyngeal swab samples and 40 sputum samples) were tested with three commercial RV assays: Seegene Anyplex II RV16 (AP), LG AdvanSure RV (AD), and Biosewoom Real‐Q RV (RQ). The additional tests for the discrepant results were conducted by repeat RV assay or monoplex PCR coupled direct sequencing. Data analysis using percent agreement, kappa, and prevalence‐adjusted and bias‐adjusted kappa (PABAK) values was performed for comparisons among the three RV assays.

Results

Of the 201 samples, AP, AD, and RQ detected 105 (52.2%), 99 (49.3%), and 95 (47.3%) positive cases respectively. The overall agreement, kappa, and PABAK values for the three assays ranged between 97%‐98%, 0.76‐0.86, and 0.93‐0.96 respectively. The performance of the three assays was very similar, with 94%‐100% agreement for all comparisons, each virus types. The additional testing of samples showed discrepant results demonstrating that AD assay had the highest rate of concordance with original results.

Conclusions

We suggest that all multiplex assay would be suitable for the detection of for respiratory viruses in clinical setting.
Results From the First‐in‐Human Study With Ozanimod, a Novel, Selective Sphingosine‐1‐Phosphate Receptor Modulator
Authors: Tran Jonathan Q. , Hartung Jeffrey P. , Peach Robert J. , Boehm Marcus F. , Rosen Hugh , Smith Heather , Brooks Jennifer L. , Timony Gregg A. , Olson Allan D. , Gujrathi Sheila , Frohna Paul A.
Published: April 2017

The sphingosine‐1‐phosphate 1 receptor (S1P1R) is expressed by lymphocytes, dendritic cells, and vascular endothelial cells and plays a role in the regulation of chronic inflammation and lymphocyte egress from peripheral lymphoid organs. Ozanimod is an oral selective modulator of S1P1R and S1P5R receptors in clinical development for the treatment of chronic immune‐mediated, inflammatory diseases. This first‐in‐human study characterized the safety, pharmacokinetics (PK), and pharmacodynamics (PD) of ozanimod in 88 healthy volunteers using a range of single and multiple doses (7 and 28 days) and a dose‐escalation regimen. Ozanimod was generally well tolerated up to a maximum single dose of 3 mg and multiple doses of 2 mg/d, with no severe adverse events (AEs) and no dose‐limiting toxicities. The most common ozanimod‐related AEs included headache, somnolence, dizziness, nausea, and fatigue. Ozanimod exhibited linear PK, high steady‐state volume of distribution (73–101 L/kg), moderate oral clearance (204–227 L/h), and an elimination half‐life of approximately 17 to 21 hours. Ozanimod produced a robust dose‐dependent reduction in total peripheral lymphocytes, with a median decrease of 65% to 68% observed after 28 days of dosing at 1 and 1.5 mg/d, respectively. Ozanimod selectivity affected lymphocyte subtypes, causing marked decreases in cells expressing CCR7 and variable decreases in subsets lacking CCR7. A dose‐dependent negative chronotropic effect was observed following the first dose, with the dose‐escalation regimen attenuating the first‐dose negative chronotropic effect. Ozanimod safety, PK, and PD properties support the once‐daily regimens under clinical investigation.
Regulation of protein‐binding activities of molecularly imprinted polymers via post‐imprinting modifications to exchange functional groups within the imprinted cavity
Authors: Sunayama Hirobumi , Kitayama Yukiya , Takeuchi Toshifumi
Published: April 2017

We prepared lysozyme‐imprinted polymers bearing modifiable sites within the imprinted cavity to introduce various functional groups via post‐imprinting modifications. For this purpose, ({[2‐(2‐methacrylamido)‐ethyldithio]‐ethylcarbamoyl}‐methoxy)acetic acid (MDTA), which has a carboxy group to interact with the target protein, lysozyme, and a disulfide linkage for post‐imprinting modifications, was used as a functional monomer. A lysozyme‐imprinted polymer film was prepared by copolymerization of MDTA with a cross‐linker, N,N′‐methylenebisacrylamide, in the presence of lysozyme. After removing lysozyme, followed by reducing the disulfide linkage, various functional groups, such as carboxy, amino, sulfonate, and oligo‐ethylene oxide, were introduced to the exposed thiol groups via a disulfide exchange reaction using the pyridyldisulfide derivatives of these functional groups. Various functional groups could be introduced reversibly via this post‐imprinting disulfide exchange reaction after the construction of the lysozyme‐imprinted cavities. The modification regulated the protein‐binding activity. The proposed post‐imprinting modification system, based on a molecular imprinting process, is expected to lead to the development of advanced materials for fine‐tuning and/or introducing desired functions.
The novel anticonvulsant neuropeptide and galanin analogue, NAX‐5055, does not alter energy and amino acid metabolism in cultured brain cells
Authors: Aldana Blanca I. , Waagepetersen Helle S. , Schousboe Arne , White H. Steve , Bulaj Grzegorz , Walls Anne B.
Published: April 2017

A large body of evidence suggests that the neuropeptide galanin plays an important role in seizure control. In line with this, it was demonstrated that the galanin analogue, NAX‐5055, exerts a potent anticonvulsant activity in animal seizure models. We recently found that the NAX‐5055‐mediated anticonvulsant action involves modulation of both excitatory and inhibitory neurotransmission. Since homeostasis of neurotransmitters and cerebral energy metabolism are intimately linked, it was investigated whether the effects of NAX‐5055 on neurotransmission involve changes in energy metabolism and in particular glucose‐ and amino acid metabolism. With this aim, cultured neurons from mouse brain were incubated with [U‐13C]glucose in absence or presence of NAX‐5055. Since effects of NAX‐5055 on neurotransmission were detected during repetitive stimulation, we tested potential metabolic effects while mimicking repetitive bursts of neurotransmitter release as occurring in the intact brain. The metabolic pathways were mapped using gas‐chromatography coupled to mass‐spectrometry. We found that NAX‐5055 does not modify glucose metabolism in glutamatergic and GABAergic neurons. Furthermore, the effect of NAX‐5055 on astrocyte‐neuron metabolic interactions was investigated by incubating co‐cultures of astrocytes and either glutamatergic or GABAergic neurons with [U‐13C]glucose or the glial‐selective substrate [1,2‐13C]acetate, with or without NAX‐5055. In the presence of NAX‐5055, no changes in the metabolic landscape were traced. The findings suggest that the anticonvulsant action of NAX‐5055 and the accompanying changes in neurotransmission do not involve alterations in energy and amino acid metabolism. Hence, NAX‐5055 appears to be an anti‐seizure drug candidate displaying no unwanted side effects concerning brain energy and amino acid homeostasis. © 2017 Wiley Periodicals, Inc.
Extended spectrum β‐lactamase producing Escherichia coli and Klebsiella pneumoniae: critical tools for antibiotic resistance pattern
Authors: Padmini Nagarajan , Ajilda Antony Alex Kennedy , Sivakumar Natesan , Selvakumar Gopal
Published: April 2017

Drug resistance is a phenomenon where by an organism becomes fully or partially resistant to drugs or antibiotics being used against it. Antibiotic resistance poses an exacting intimidation for people with underlying medical immune conditions or weakened immune systems. Infections caused by the enzyme extended spectrum β‐lactamase (ESBL) producing multi drug resistance (MDR) Enterobacteriaceae especially Escherichia coli and Klebsiella pneumoniae are resistant to a broad range of beta lactams, including third generation cephalosporins. Among all the pathogens, these two MDR E. coli and K. pneumoniae have emerged as one of the world's greatest health threats in past two decades. The nosocomial infections caused by these ESBL producing MDR E. coli and K. pneumoniae complicated the therapy and limit treatment options.
Portable Raman verification and quantification of jade in Olmec ceremonial axes from El Manatí, Veracruz, Mexico
Authors: Gendron François , Smith David C. , Masson Pierre , Rodríguez Martínez María del Cármen , Ortiz Ceballos Ponciano
Published: April 2017

The El Manatí archaeological site in Veracruz State, Mexico, is famous for its deposits of ceremonial stone axes and beads from the Olmec culture. Some of these have been considered to be in jadeite‐jade, but this rock type in these artefacts has never before been physico‐chemically verified. A portable Raman spectrometer was employed in situ inside the Centro‐INAH Veracruz reserve for this remote analytical operation of non‐destructive direct hand‐held analysis to identify some of the mineral species present. The key points of interest were as follows: which objects can correctly be called ‘jade’ because they contain the high‐pressure minerals jadeite or omphacite and, if so, with what mol. % Jd (Jd%) in the solid‐solution jadeite–diopside–hedenbergite. The Jd% value was then quantified from the wavenumber shift of the symmetric Si–O–Si Raman vibration band. Although some artefacts did not yield any usable Raman spectra, exploitable spectra were obtained from 41 stone axes or beads. Jadeite was found in 13 artefacts and omphacite in another 11. Jd% varied from 95 to 38% such that many of these jades are actually omphacite‐jade rather than jadeite‐jade. The complicated terminology of jades is thus re‐examined. A partial correlation is shown to exist between the Jd% value and the density of the artefacts. These results provide important, hitherto unknown, mineralogical data for archaeologists studying artefacts at different horizons at different sites of Mesoamerican cultures. These results also allow these artefacts to be now labelled correctly in their Museum reserve or exhibition display. Copyright © 2017 John Wiley & Sons, Ltd.
Modern analytical methods for the detection of food fraud and adulteration by food category
Authors: Hong Eunyoung , Lee Sang Yoo , Jeong Jae Yun , Park Jung Min , Kim Byung Hee , Kwon Kisung , Chun Hyang Sook
Published: April 2017

This review provides current information on the analytical methods used to identify food adulteration in the six most adulterated food categories: animal origin and seafood, oils and fats, beverages, spices and sweet foods (e.g. honey), grain‐based food, and others (organic food and dietary supplements). The analytical techniques (both conventional and emerging) used to identify adulteration in these six food categories involve sensory, physicochemical, DNA‐based, chromatographic and spectroscopic methods, and have been combined with chemometrics, making these techniques more convenient and effective for the analysis of a broad variety of food products. Despite recent advances, the need remains for suitably sensitive and widely applicable methodologies that encompass all the various aspects of food adulteration. © 2017 Society of Chemical Industry
Relationship between hyperspectral indices, agronomic parameters and phenolic composition of Vitis vinifera cv Tempranillo grapes
Authors: García‐Estévez Ignacio , Quijada‐Morín Natalia , Rivas‐Gonzalo Julián C , Martínez‐Fernández José , Sánchez Nilda , Herrero‐Jiménez Carlos M , Escribano‐Bailón M Teresa
Published: April 2017

BACKGROUND

The phenolic composition of grapes is key when making decisions about harvest date and ensuring the quality of grapes. The present study aimed to investigate the relationship between the detailed phenolic composition of grapes and the agronomic parameters and hyperspectral indices, with the latter being measured via field radiometry techniques.

RESULTS

Good correlations were found between phenolic composition (both anthocyanin and flavanol composition) and some hyperspectral indices related to vigor, such as the NDVI (normalized difference vegetation index) and the SAVI (soil adjusted vegetation index). The strongest correlations were observed between the phenolic composition of grape skin at harvest time and variables measured from grapes at veraison time, as well as variables determined from grapevines at harvest time. The potential usefulness of these hyperspectral indices calculated from measurements performed directly on grapes or grapevines for estimating the anthocyanin and flavanol composition of grape skins was indicated by the high coefficients of determination (R2 = 0.7955 and R2 = 0.8594, respectively) as obtained by means of principal component regression.

CONCLUSION

According to the results of the present study, hyperspectral indices calculated from measurements performed directly on grapes at veraison time or on grapevines at harvest time may be useful for estimating the anthocyanin and flavanol composition of grape skins. This suggests that field radiometry might provide valuable information for estimating the phenolic composition of grapes, which may prove to be very useful when establishing strategies for harvest planning. © 2017 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
A novel controlled release ethanol emitter: preparation and effect on some postharvest quality parameters of Chinese bayberry during storage
Authors: Mu Honglei , Gao Haiyan , Chen Hangjun , Fang Xiangjun , Han Qiang
Published: April 2017

BACKGROUND

Reducing spoilage and prolonging the shelf‐life of food materials are both critically important in the food industry. Among the many available preservatives, ethanol has been widely used for the storage of fruits and vegetables. Although a few ethanol emitters are available in the form of antimicrobial packaging, these ethanol emitters demonstrate high volatility, uncontrolled release and other disadvantages, and so the practical applications are limited.

RESULTS

A novel ethanol gel with a controlled release rate was prepared by a gelatification reaction between ethanol and sodium stearate to overcome the disadvantage of conventional ethanol emitters. The hardness, adhesiveness and cohesiveness of developed ethanol gels increased, whereas the springiness decreased along with an increase in the sodium stearate concentration. The release rate of ethanol in the gels was controlled by the concentration of sodium stearate, in which a first‐order release kinetic was observed. The release rate constant (k) of the gels with 12.5, 37.5, 62.5 g kg−1 of sodium stearate was 0.58 ± 0.029, 0.49 ± 0.035 and 0.41 ± 0.021 h−1, respectively, at 25 °C. The application of the controlled release ethanol emitter with respect to the storage of Chinese bayberry fruit demonstrated its ability to reduce the decay rate, maintain firmness and inhibit increased malondialdehyde content at 4 °C.

CONCLUSION

In terms of practical applications, an appropriate sodium stearate content can be selected in accordance with the storage period, aiming to achieve precise storage goals. Therefore, the ethanol emitter has potential application prospects as an active packaging for Chinese bayberry fruit, as well as for other perishable products. © 2017 Society of Chemical Industry
Minimising variation in aspalathin content of aqueous green rooibos extract: optimising extraction and identifying critical material attributes
Authors: Miller Neil , De Beer Dalene , Joubert Elizabeth
Published: April 2017

BACKGROUND

High levels of aspalathin, an antidiabetic dihydrochalcone, in green rooibos underpins interest in the production of a standardised extract. Elements of a quality‐by‐design approach were applied to optimise extraction conditions, aiming at the delivery of a dry matter yield (DMY) ≥ 160 g kg−1 and an extract with an aspalathin content (AC) ≥ 80 g kg−1.

RESULTS

Hot water extraction parameters, namely extraction time, extraction temperature and water‐to‐plant material ratio, were optimised for DMY and aspalathin extraction efficiency (AEE) using Design of Experiments. Good polynomial prediction models were obtained and multiresponse desirability plots indicated 37 min, 93 °C and 23:1 as optimal conditions. Even when using 30 min and 10:1 instead for practical reasons, the target DMY and AC values could be achieved with the caveat that plant material with an AC ≥ 30 g kg−1 is used. Particle size distribution and stem content were identified as contributing to variation in the AC of raw material.

CONCLUSION

By setting raw material specifications in terms of AC, as well as applying practical optimum extraction conditions, 160 g kg−1 extract with an AC ≥ 80 g kg−1 could be consistently achieved from green rooibos plant material. © 2017 Society of Chemical Industry