bluuebunny/crossref_metadata_2025 huggingface dataset:
Two‐Dimensional Metal‐Organic Framework Nanosheets: A Rapidly Growing Class of Versatile Nanomaterials for Gas Separation, MALDI‐TOF Matrix and Biomimetic Applications
Authors: Xu Ming , Yang Shi‐Shu , Gu Zhi‐Yuan
Published: August 2018

Two‐dimensional (2D) metal‐organic framework (MOF) nanosheets, as an emerging type of 2D materials, attract numerous attention due to their unique properties. First, the ultrathin thickness and nanoscale of the materials results in homogeneous dispersion in aqueous solution, giving the materials more opportunities to be utilized in solution chemistry, especially beneficial to the biomimetic catalysis and bio‐related analytical applications. Second, the large surface area and accessible active sites of the MOF nanosheets are favorable to the binding between materials and the substrate, leading to their superior performance in catalysis, sensing and enzyme inhibition. Third, the suitable sizes of nanopores on the 2D MOF nanosheets give them the abilities to act as membranes for highly selective and energy‐saving gas separation. This minireview covers the synthesis, characterization as well as bio‐related and separation applications of 2D MOF nanosheets.
Thermodynamics of Anion Binding by Chalcogen Bonding Receptors
Authors: Lim Jason Y. C. , Liew Jane Y. , Beer Paul D.
Published: August 2018

The application of chalcogen bonding (ChB) to anion recognition is an underdeveloped area of host–guest supramolecular chemistry. The chemical instability of heavier chalcogen derivatives may in part be responsible for the lack of progress. Herein, the synthesis of a new structurally simple, tellurium‐based ChB binding motif is reported, the robust stability of which has enabled the thermodynamic properties for ChB halide anion binding in polar aprotic and wet protic organic solvent media to be elucidated. The thermodynamic data reveals how the subtle interplay between ChB host, anion guest and solvent dictates halide binding selectivity and affinity trends. These findings help to provide a deeper insight into the nature of the ChB–anion interaction.
Accelerating multi‐dimensional interpolation using moving least‐squares on the GPU
Authors: Ding Zengyu , Mei Gang , Cuomo Salvatore , Tian Hong , Xu Nengxiong
Published: August 2018

This paper focuses on designing and implementing parallel Moving Least Squares (MLS) interpolation algorithms by exploiting the Graphics Processing Unit (GPU) for the usage in Meshfree methods. The MLS method is an approach for scattered points' approximation / interpolation, which is commonly employed as the shape functions in various Meshfree methods. To improve the computational efficiency in building stiffness matrices in Meshfree methods, we are specifically interested in parallelizing the MLS interpolation on the GPU. The accelerated Meshfree methods can be employed to numerically analyze large deformations of soil and rock masses such as the landslides. In this paper, we first introduce our previously proposed method for finding the k nearest neighboring points located within the local region of the interest point in MLS. We then develop one sequential and three parallel implementations for each of three variations of the MLS interpolation, including the serial implementation, the parallel implementation on the multi‐core CPU, the parallel implementation on a single GPU, and the parallel implementation on multi‐GPUs. To evaluate the computational performance of our GPU implementations, five groups of benchmark tests are conducted in both two‐dimensions and three‐dimensions. We observe that our GPU implementations can achieve satisfied speedups over the sequential CPU implementation for varied sizes of testing data. To benefit the community, all source code and testing data related to the presented parallel MLS interpolation are publicly available.
Challenges and Opportunities for Improving the Safety Assessment of Botanical Dietary Supplements: A United States Pharmacopeia Perspective
Authors: Oketch‐Rabah Hellen A. , Roe Amy L. , Muldoon‐Jacobs Kristi , Giancaspro Gabriel I.
Published: August 2018

The United States Pharmacopeia (USP) is an independent, nonprofit, science‐based organization whose mission is to improve global health through public quality standards for dietary supplements, medicines, and food ingredients.1 Before developing standards for dietary supplement ingredients, the USP performs an “Admission Evaluation” (Figure 1), which includes an assessment to ascertain that an ingredient does not present a serious health risk.2 This article discusses the challenges encountered during the evaluation of botanicals and proposes possible solutions.
Expected limits on the ocean acidification buffering potential of a temperate seagrass meadow
Authors: Koweek David A. , Zimmerman Richard C. , Hewett Kathryn M. , Gaylord Brian , Giddings Sarah N. , Nickols Kerry J. , Ruesink Jennifer L. , Stachowicz John J. , Takeshita Yuichiro , Caldeira Ken
Published: August 2018

Ocean acidification threatens many marine organisms, especially marine calcifiers. The only global‐scale solution to ocean acidification remains rapid reduction in CO2 emissions. Nevertheless, interest in localized mitigation strategies has grown rapidly because of the recognized threat ocean acidification imposes on natural communities, including ones important to humans. Protection of seagrass meadows has been considered as a possible approach for localized mitigation of ocean acidification due to their large standing stocks of organic carbon and high productivity. Yet much work remains to constrain the magnitudes and timescales of potential buffering effects from seagrasses. We developed a biogeochemical box model to better understand the potential for a temperate seagrass meadow to locally mitigate the effects of ocean acidification. Then we parameterized the model using data from Tomales Bay, an inlet on the coast of California, USA which supports a major oyster farming industry. We conducted a series of month‐long model simulations to characterize processes that occur during summer and winter. We found that average pH in the seagrass meadows was typically within 0.04 units of the pH of the primary source waters into the meadow, although we did find occasional periods (hours) when seagrass metabolism may modify the pH by up to ±0.2 units. Tidal phasing relative to the diel cycle modulates localized pH buffering within the seagrass meadow such that maximum buffering occurs during periods of the year with midday low tides. Our model results suggest that seagrass metabolism in Tomales Bay would not provide long‐term ocean acidification mitigation. However, we emphasize that our model results may not hold in meadows where assumptions about depth‐averaged net production and seawater residence time within the seagrass meadow differ from our model assumptions. Our modeling approach provides a framework that is easily adaptable to other seagrass meadows in order to evaluate the extent of their individual buffering capacities. Regardless of their ability to buffer ocean acidification, seagrass meadows maintain many critically important ecosystem goods and services that will be increasingly important as humans increasingly affect coastal ecosystems.
The effect of compression on Sphagnum hydrophysical properties: Implications for increasing hydrological connectivity in restored cutover peatlands
Authors: Gauthier Tasha‐Leigh J. , McCarter Colin P.R. , Price Jonathan S.
Published: August 2018

Sphagnum moss, a dominant peat‐forming species in northern peatlands, relies on capillary rise to sustain metabolic activities. However, in restored peatlands, a capillary barrier resulting from distinctly different pore‐size distributions in the degraded remnant cutover peat and regenerated Sphagnum moss limits capillary rise. Space‐for‐time analogues suggest it could take >40 years for decomposition and degradation of the moss profile to overcome this capillary barrier effect. This paper explores the feasibility of mechanical compression to ameliorate the capillary barrier effect and accelerate the return of ecohydrological function in restored Sphagnum moss. Seven reference cores (10 × 20 cm) and 29 samples (10 × 5 cm) representing various depths from surface (0–5 cm, n = 9; 5–10 cm, n = 9; 10–15 cm, n = 7; 15–20 cm, n = 4) were tested in a laboratory setting to analyse pre‐compression and post‐compression water retention‐unsaturated hydraulic conductivity relationships, proportion of macropores, and other hydrophysical parameters. Post‐compression, reference core moss height (originally 20 cm) decreased by 5.5 ± 1.2 cm, and sample bulk density increased, while porosity decreased (Wilcoxon signed rank test, p < 0.01). Increased water retention and subsequent increase in unsaturated hydraulic conductivity post‐compression was a result of a decrease in macropores (diameter > 75 μm). Simulation results with Hydrus‐1D indicate that the post‐compression moss profile was better suited to maintain pressure heads above critical values for photosynthesis. These findings suggest that mechanical compression may be used to ameliorate the capillary barrier effect in restored cutover peatlands; however, field scale studies are required.
Experimental shifts in phenology affect fitness, foraging, and parasitism in a native solitary bee
Authors: Farzan Shahla , Yang Louie H.
Published: August 2018

Phenological shifts have been observed in a wide range of taxa, but the fitness consequences of these shifts are largely unknown, and we often lack experimental studies to assess their population‐level and evolutionary consequences. Here, we describe an experimental study to determine the fitness consequences of phenological shifts in blue orchard bee (Osmia lignaria) emergence, compare the measured seasonal fitness landscape with observed phenology in the unmanipulated population, and assess seasonal variation in key factors related to reproduction, foraging, and brood parasitism that were expected to affect the shape of the fitness landscape. By tracking individually marked females, we were able to estimate the lifetime fitness impacts of phenological advances and delays. We also measured parasitism risk, floral resource use, and nesting behavior to understand how each varies seasonally, and their combined effects on realized fitness. Survival to nesting decreased non‐monotonically throughout the season, with a 20.4% decline in survival rates between the first and second cohorts. The total reproductive output per maternal bee was 14.9% higher in the second cohort compared to the first, and 161% higher in the second cohort compared to the third. Combining seasonal patterns in survival and reproductive output, experimentally advanced females showed 30.6% higher fitness than bees released at the historic peak. In contrast, the nesting phenology of unmanipulated bees showed nearly equal numbers of nesting attempts in the first two cohorts. Both increased resource availability and reduced parasitism risk favored earlier emergence. These results are consistent with a population experiencing directional selection for earlier emergence, adaptive bet‐hedging, or developmental constraints. Our study offers insight into the fitness consequences of phenological shifts, the mechanisms affecting the fitness consequences of phenological shifts in a community context, and the potential for adaptive responses to climate change.
NK cell‐mediated anti‐leukemia cytotoxicity is enhanced using a NKG2D ligand MICA and anti‐CD20 scfv chimeric protein
Authors: Zou Yizhou , Luo Weiguang , Guo Jing , Luo Qizhi , Deng Mi , Lu Zhigang , Fang Yi , Zhang Cheng Cheng
Published: August 2018

NK cells are important innate cytotoxic lymphocytes that have potential in treatment of leukemia. Engagement of NKG2D receptor on NK cells enhances the target cytotoxicity. Here, we produced a fusion protein consisting of the extracellular domain of the NKG2D ligand MICA and the anti‐CD20 single‐chain variable fragment (scfv). This recombinant protein is capable of binding both NK cells and CD20+ tumor cells. Using a human NKG2D reporter cell system we developed, we showed that this fusion protein could decorate CD20+ tumor cells with MICA extracellular domain and activate NK through NKG2D. We further demonstrated that this protein could specifically induce the ability of a NK cell line (NKL) and primary NK cells to lyse CD20+ leukemia cells. Moreover, we found that downregulation of surface HLA class I expression in the target cells improved NKL‐mediated killing. Our results demonstrated that this recombinant protein specifically lyses leukemia cells by NK cells, which may lead to development of a novel strategy for treating leukemia and other tumors.
Sonogashira Reaction of Bromofluoropyridinaldoxime Nuclei: Convergent Synthesis of Functionalized 2‐ and 3‐Fluoropyridine Scaffolds
Authors: Yerri Jagadeesh , Baati Rachid
Published: August 2018

A chemoselective palladium catalyzed Sonogashira cross‐coupling of bromofluoropyridinaldoxime with highly functionalized alkynes is presented. This reaction is fully compatible with unprotected sensitive aldoxime and affords representative underexplored new scaffolds. The process exhibits a broad scope of alkynes, dialkynes, and large functional group compatibility, including the use of non‐radioactive isotopic reporter such as 15N labeled oxime and chiral substrates.
BIM modelling in mined tunnelling – Discussions and recommendation for the structural geometry to be considered in 3D models
Authors: Frodl Stephan , Mayer Peter‐Michael
Published: August 2018

In the context of mined tunnelling, the excavation of the tunnel cross‐section is performed with an overcut. The size of the required overcut depends on the expected rock deformation as well as on typical construction tolerances. Likewise, secondary linings are also built with an overcut in order to account for formwork deformation, construction tolerances and deformation due to ground loads. On the other hand, clients usually specify the nominal tunnel geometry, which differs from the overcut geometries previously mentioned. When designing a tunnel according to the BIM method, it should be clarified which geometry should be used to create the geometrical model, since deviations between the target and the overcut geometry can be considerable. To generate a drawing derived directly from the 3D BIM model for tunnel construction use, it is imperative that the geometrical model is created based on the overcut geometry. Only then can the reinforcement quantity or formwork be designed correctly. Only a model based on overcut geometries will yield the correct theoretical masses, which for example could be used for target‐actual comparisons. This article outlines the basics of the current 2D design approach; its technical limits are presented and contrasted with the proposed 3D design model. The article further shows how a 3D BIM design model has to be created so that 2D drawings for construction can be derived or created from it. In addition, general recommendations are provided for creation of BIM geometrical models.
Using reanalysis‐driven regional climate model outputs for hydrology modelling
Authors: Chen Jie , Brissette François P. , Chen Hua
Published: August 2018

Bias correction methods are usually applied to climate model outputs before using these outputs for hydrological climate change impact studies. However, the use of a bias correction procedure is debatable, due to the lack of physical basis and the bias nonstationarity of climate model outputs between future and historical periods. The direct use of climate model outputs for impact studies has therefore been recommended in a few studies. This study investigates the possibility of using reanalysis‐driven regional climate model (RCM) outputs directly for hydrological modelling by comparing the performance of bias‐corrected and nonbias‐corrected climate simulations in hydrological simulations over 246 watersheds in the Province of Québec, Canada. When using RCM outputs directly, the hydrological model is specifically calibrated using RCM simulations. Two evaluation metrics (Nash–Sutcliffe efficiency [NSE] and transformed root mean square error [TRMSE]) and three hydrological indicators (mean, high, and low flows) are used as criteria for this comparison. Two reanalysis‐driven RCMs with resolutions of 45 km and 15 km are used to investigate the scale effect of climate model simulations and bias correction approaches on hydrology modelling. The results show that nonbias‐corrected simulations perform better than bias‐corrected simulations for the reproduction of the observed streamflows when using NSE and TRMSE as criteria. The nonbias‐corrected simulations are also better than or comparable with the bias‐corrected simulations in terms of reproducing the three hydrological indicators. These results imply that the raw RCM outputs driven by reanalysis can be used directly for hydrological modelling with a specific calibration of hydrological models using these datasets when gauged observations are scarce or unavailable. The nonbias‐corrected simulations (at a minimum) should be provided to end users, along with the bias‐corrected ones, especially for studying the uncertainty of hydrological climate change impacts. This is especially true when using an RCM with a high resolution, since the scale effect is observed when the RCM resolution increases from a 45‐km to a 15‐km scale.
A note on bank loan officers' expectations for credit standards: Evidence from the European bank lending survey
Authors: Anastasiou Dimitrios , Drakos Konstantinos
Published: August 2018

We employ quarterly credit standards data from the Bank Lending Survey, covering 14 EU countries for the period 2003 Q1 to 2016 Q1. By linking consecutive surveys and utilizing loan officers' responses regarding actual and expected credit standards, we set out to investigate which expectations formation mechanism best describes loan officers' expectations. According to our findings, bank loan officers' expectations are compatible with the adaptive expectations mechanism.
Circulating long noncoding RNA ANRIL downregulation correlates with increased risk, higher disease severity and elevated pro‐inflammatory cytokines in patients with acute ischemic stroke
Authors: Feng Lijuan , Guo Jun , Ai Fen
Published: August 2018

Background

To investigate the correlation of plasma lncRNA ANRIL expression with stroke risk, severity and inflammatory cytokines levels in acute ischemic stroke (AIS) patients.

Methods

A total of 126 AIS patients and 125 controls were consecutively recruited in this case‐control study. Blood samples from all participants were collected, and plasma was separated. Plasma lncRNA ANRIL expression was quantified by quantitative real‐time polymerase chain reaction (qRT‐PCR). Plasma tumor necrosis factor‐α (TNF‐α) and interleukin (IL)‐1β (IL‐1β), IL‐6, IL‐8, IL‐10, and IL‐17 levels were measured by enzyme‐linked immunosorbent assay (ELISA). National Institutes of Health Stroke Scale (NIHSS) scores were used to assess the stroke severity in AIS patients.

Results

Plasma lncRNA ANRIL expression was lower in AIS patients than in controls (P < 0.001), and the receiver operating characteristic (ROC) curve showed a good prediction value of lncRNA ANRIL for AIS risk with area under curve (AUC) of 0.759 (95% CI: 0.741‐0.849). In addition, lncRNA ANRIL expression was negatively correlated with NIHSS score (r = −0.351, P < 0.001). Furthermore, while lncRNA ANRIL expression was negatively associated with hs‐CRP level (r = −0.247, P = 0.005), no correlation was found between lncRNA ANRIL expression and ESR level (P = 0.619). For inflammatory cytokines, lncRNA ANRIL expression was inversely associated with TNF‐α (r = −0.216, P = 0.015) and IL‐6 levels (r = −0.326, P < 0.001), while it positively correlated with IL‐10 level (r = 0.210, P = 0.018).

Conclusion

Circulating lncRNA ANRIL downregulation correlates with increased stroke risk, higher disease severity and elevated inflammation in AIS patients.
CYP2D6 allele frequencies, copy number variants, and tandems in the population of Hong Kong
Authors: Chan Wing , Li Man S. , Sundaram Senthil K. , Tomlinson Brian , Cheung Pik Y. , Tzang Chi H.
Published: August 2018

Background

CYP2D6 plays a crucial role in drug metabolism of several drugs. It is known to be highly polymorphic with enzymatic activity ranging from poor to ultrarapid metabolic rates. While the frequencies of CYP2D6 alleles are generally known in different Asian populations, data on frequencies of the copy number variations (CNV) and tandems in CYP2D6 in which they occur are less well studied in these populations.

Methods

A cohort of 800 consecutive, unrelated individuals were referred to Prenetics Limited (Prenetics) iGenes test by physicians in Hong Kong as part of their care with informed consent. These clinical samples were deidentified prior to further analysis. Genotyping and copy number determination of CYP2D6 were performed using target specific TaqMan® SNP genotyping and copy number assays. The phenotypes of CYP2D6 were predicted based on its genotypes and is dependent on the biallelic expression of alleles.

Results

Among the Asian group (n = 735, 92%), the observed frequency of CYP2D6*36‐*10 tandems was 34.1%. We also identified duplication of CYP2D6 alleles in 86 (11.7%) individuals of the study cohort. The frequency of all CYP2D6 duplicated alleles was 154 (10.5%) while only 28 (1.9%) of the duplications were of functional alleles (ie CYP2D6*1 and CYP2D6*2).

Conclusion

The present study provides a comprehensive analysis on the occurrences of CNV and tandems of the CYP2D6 gene in the Hong Kong population. The results contribute to the overall knowledge of pharmacogenomics and may accelerate the implementation of precision medicine in Asia.
Chibby is a weak regulator of β‐catenin activity in gastric epithelium
Authors: Li Feng‐Qian , Chiriboga Luis , Black Margaret A. , Takemaru Ken‐Ichi , Raffaniello Robert D.
Published: August 2018

The canonical Wnt–β‐catenin pathway is important in normal development. Mutations in β‐catenin or proteins involved with regulating its phosphorylation or localization result in its nuclear accumulation where it activates its target genes and stimulates cell proliferation. This pathway is dysregulated in many different types of cancer, including gastric cancer (GC). Chibby (Cby) is a 14‐kDa protein that inhibits β‐catenin localization to the nucleus and represses β‐catenin‐induced transcriptional activity. In the current study, we examined the expression and function of Cby in normal and cancerous human gastric tissue. Reverse‐transcription polymerase chain reaction and immunohistochemistry revealed that Cby is expressed in human stomach and localized to glandular elements. Immunohistochemical staining intensity of Cby was decreased in GC tissue when compared with normal gastric epithelium. In AGS cells, a human gastric carcinoma cell line, Cby expression was low. Stable AGS cell transfectants overexpressing Cby were prepared. Cby overexpression did not affect proliferation rates or β‐catenin levels. However, confocal microscopy and subcellular fractionation studies revealed that Cby overexpression resulted in a small decrease in nuclear β‐catenin. Moreover, Cby overexpression caused a molecular weight shift in nuclear β‐catenin and resulted in decreased β‐catenin signaling in AGS cells as measured by the TopFlash assay. However, Cby overexpression did not affect c‐Myc protein levels. To conclude, Cby expression was decreased in GC samples and Cby expression altered β‐catenin localization in cultured GC cells. However, Cby did not affect cell proliferation rates or β‐catenin‐induced protein expression. Cby may be involved in the early events in the pathogenesis of GC.
Aerated extraction columns for in situ separation of bio‐based diamines from cell suspensions
Authors: Bednarz Andreas , Jupke Andreas , Spieß Antje C , Pfennig Andreas
Published: August 2018

Background

Extraction is the method of choice for separating sensitive products. For example, it has been applied in aromatics and rare‐earth metal separation. Recently, biotechnological processes entered the field of bulk chemicals and might benefit from process intensification by in situ extraction of inhibiting products, however in the presence of cells and/or aeration. This study applies reactive extraction of the polyamide monomer hexane‐1,6‐diamine from cell‐containing medium.

Results

To prove technical feasibility of this reactive extraction, simulation of the extraction column based on single‐drop measurements was validated at pilot‐scale. Simulated results show good accordance with experimental data with an error below 20%. The extraction column was subsequently used as a bioreactor with integrated aeration and product extraction applying a four‐phase system investigating the effect on drop distributions and holdup of the dispersed phases. Interestingly, aeration increased the holdup up to five‐fold and decreased the mean drop size of the organic extractive phase by 30%, thereby potentially improving extraction efficiency.

Conclusion

The ReDrop simulation tool is capable of predicting challenging separation processes like the reactive extraction of hexane‐1,6‐diamine with D2EHPA diluted in oleyl alcohol from a biotransformation medium. The process design enabled four‐phase operation of the column with aeration, extractive organic phase and cell‐containing continuous aqueous phase. © 2018 Society of Chemical Industry
Application of 2‐hydroxy‐1,4‐naphthoquinone‐ graphene oxide (HNQ‐GO) composite as recyclable catalyst to enhance Cr(VI) reduction by Shewanella xiamenensis
Authors: Li Yixin , Luo Qingliu , Li Hua , Chen Zheng , Shen Liang , Peng Yajuan , Wang Haitao , He Ning , Li Qingbiao , Wang Yuanpeng
Published: August 2018

BACKGROUND

Microbial reduction of Cr(VI) has been demonstrated as an environmentally friendly remediation protocol in recent years. In this study, the catalytic capability of soluble quinone compounds [i.e. anthraquinone‐2,6‐disulphonate (AQDS), 2‐hydroxy‐1,4‐naphthoquinone (HNQ) and ubiquinone (CoQ)] as well as an immobilized HNQ‐graphene oxide (GO) composite were evaluated for their ability to mediate Cr(VI) bioreduction by Shewanella xiamenensis. Additionally, the mechanism for Cr(VI) bioreduction was rigorously explored.

RESULT

At a test concentration of 0.02 mmol L−1, HNQ exhibited the highest efficiency for catalysing Cr(VI) bioreduction compared to AQDS and CoQ. During a 48 h test period, the highest removal efficiency (100%) of Cr(VI) (50 mg L−1) was exhibited in the presence of 0.015 mmol L−1 HNQ compared to biotic supplementations with 0.005, 0.010 and 0.020 mmol L−1 of HNQ. Furthermore, supplementation with 13.0 mg HNQ‐GO composite greatly enhanced Cr(VI) bioreduction compared to the biotic assay without any quinone compounds. Specifically, complete reduction of Cr(VI) was found in the first reaction cycle (following 72 h), compared to < 26% Cr(VI) reduction observed in the control group under the same reaction time. Moreover, HNQ‐GO composite was recovered and reused up to three times resulting in a ∼20% loss of catalytic efficacy during the third use. In the presence of HNQ‐GO composite, Cr(VI) bioreduction resulted predominantly from the enhancement of extracellular electron transfer mediated by HNQ and partly due to intracellular electron transfer processes occurring in the special metal respiratory system.

CONCLUSION

Our findings provide a promising alternative technology for remediating Cr(VI)‐polluted wastewater. © 2018 Society of Chemical Industry
Changes of wind speed at different heights over eastern China during 1980–2011
Authors: Wu Jian , Zha Jinlin , Zhao Deming , Yang Qidong
Published: August 2018

Long‐term decreasing trends of near‐surface wind speed (SWS) have been well demonstrated in China, and at the same time the factors causing the slowdown in SWS have also been explored. However, changes in wind speed and pressure gradient force (PGF) at higher elevations have received little attention. In this paper, the spatio‐temporal changes of wind speed and PGF at different heights were explored in eastern China during the period 1980–2011, and the potential causes inducing the changes of wind speed were analysed. The results included that the reduction in wind speed emerged from the near surface to 300 hPa, while the PGF also exhibited a synchronous reduction. The influence of PGF on the decrease of wind speed was relative smaller at near surface than that at higher levels (850–300 hPa). At the near surface, 71.8% of changes in annual mean SWS could be attributed to the changes of PGF, in which the seasonal difference of the influence of PGF on wind speed was less than 7.0%. At the higher levels, most of the changes in wind speed (>90%) was induced by PGF, in which the seasonal difference of the influence of PGF was less than 1.0%. Furthermore, the changes of PGF in eastern China could be mainly influenced by both the Northern Hemisphere annular mode (NAM) and the Pacific Decadal Oscillation (PDO). The NAM could affect the inter‐annual and inter‐decadal changes of PGF, and the effects of NAM played more significant role on the inter‐annual scale than that on the inter‐decadal scale. At the same time, the correlation between NAM and PGF increased with height. Otherwise, the PDO mainly affected the inter‐decadal changes of PGF, and their correlation decreased with height.
Use of odorant series for extra virgin olive oil aroma characterisation
Authors: Genovese Alessandro , Caporaso Nicola , Leone Terigi , Paduano Antonello , Mena Carmen , Perez‐Jimenez Maria A , Sacchi Raffaele
Published: August 2018

BACKGROUND

Extra virgin olive oil (EVOO) volatile composition is mainly used as a means of characterisation and authentication, especially for protected denomination of origin (PDO) products. This work investigated the volatile compounds from 25 EVOOs from four Spanish (Cornicabra, Manzanilla Castellana, Picual and Manzanilla Cacereña) and four Italian (Ortice, Ravece, Nocellara del Belice and Itrana) cultivars in terms of odour activity value (OAV). Forty‐seven volatile compounds were analysed by solid phase microextraction gas chromatography/mass spectrometry (SPME‐GC/MS). OAVs of volatile compounds with similar descriptors were grouped in order to establish eight odorant series: fruity, grass, apple, tomato, floral, woody‐spicy, fatty and mushroom.

RESULTS

No differences in sensory descriptors were observed among the EVOOs analysed by official VOO sensory analysis. The method of odorant series applied herein was demonstrated to successfully characterise EVOO odour as expected from a sensory panel but using only instrumental analysis of volatile compounds, and giving additional reliable quantitative information. The results can be presented as a ‘barcode’, providing a visual and effective graphical representation allowing an easy and rapid description of EVOO sensory attributes using instrumental data.

CONCLUSION

The odorant series have the potential to better differentiate the aroma of food products, opening new possibilities allowing a schematic and effective visual representation to be used for EVOO quality control and consumer information, especially in new olive oil consuming countries. © 2018 Society of Chemical Industry
An integrated look at the effect of structure on nutrient bioavailability in plant foods
Authors: Capuano Edoardo , Pellegrini Nicoletta
Published: August 2018

The true bioavailability of a nutrient being intrinsically coupled to the specific food matrix in which it occurs remains poorly considered in nutrition science. During digestion, the food matrix and, in particular, the structure of food modulate the extent and kinetics to which nutrients and bioactive compounds make themselves available for absorption. In this perspective, we describe an integrated look at the effect of structure on nutrient bioavailability in plant foods. Based on this integrated look, cell wall integrity and the particle size of the plant material during its transit in the small intestine determine the bioavailability of plant nutrients; in turn, cell wall integrity and particle size are determined by the level of oral processing and, accordingly, what subsequently escapes digestion in the upper intestine and is utilized by colon microbiota. Ultimately, the effect on nutrient digestion is linked to food structure through each step of digestion. A consideration of the structure rather than just the composition of foods opens up possibilities for the design of healthier foods. © 2018 Society of Chemical Industry
Parity‐Time‐Symmetric Optical Lattice with Alternating Gain and Loss Atomic Configurations
Authors: Zhang Zhaoyang , Yang Liu , Feng Jingliang , Sheng Jiteng , Zhang Yiqi , Zhang Yanpeng , Xiao Min
Published: August 2018

Since the periodic parity‐time (PT)‐symmetric potential can possess unique properties compared to a single PT cell (with only two coupled components), various schemes have been proposed to realize PT symmetry in optical lattices. Here, a PT‐symmetric optical lattice is experimentally constructed with simultaneous gain and loss in an atomic medium. The gain and loss arrays are created in the four‐level N‐type configurations excited by spatially alternating strong and weak pump fields, respectively, which do not require discrete diffractions and can be realized more easily with more relaxed operating conditions. Also, the gain and loss coefficients can be modified independently. The dynamical behaviors of the system are investigated by measuring the phase difference between two adjacent gain and loss channels. The demonstrated PT‐symmetric lattice with easy accessibility and better tunability shows obvious advantages in exploiting more peculiar properties and great improvements in practical applications of periodic PT‐symmetric potentials.
Hepatopulmonary Syndrome in Children: A 20‐Year Review of Presenting Symptoms, Clinical Progression, and Transplant Outcome
Authors: Warner Suz , McKiernan Patrick J. , Hartley Jane , Ong Evelyn , van Mourik Indra D. , Gupte Girish , Abdel‐Hady Mona , Muiesan Paolo , Perera Thamera , Mirza Darius , Sharif Khalid , Kelly Deirdre A. , Beath Susan V.
Published: August 2018

Hepatopulmonary syndrome (HPS) in stable patients with cirrhosis can easily be overlooked. We report on the presenting symptoms, disease progression, and outcomes after liver transplantation (LT) in children with HPS. Twenty patients were diagnosed with HPS between 1996 and 2016. The etiologies were as follows: biliary atresia (n = 9); alpha‐1‐antitrypsin deficiency (n = 2); cryptogenic liver disease (n = 3); and others (n = 6). HPS presentations were as follows; dyspnea (n = 17) and pneumonia (n = 3). For diagnostic confirmation, the following techniques were used: technetium‐99m‐labeled macroaggregated albumin lung perfusion scan (n = 13) or contrast echocardiogram (n = 7). There were 16 patients listed for LT, with a median age at HPS diagnosis of 10 years and an average wait from listing to LT of 9 weeks. A marked rise in hemoglobin (Hb; median, 125‐143.5 g/L) and modest decrease in oxygen saturation (SpO2; median 91% to 88% room air) were evident over this time. Patients’ need for assisted ventilation (1 day), pediatric intensive care unit (PICU) stay (3 days), and total hospital stay (20 days) were similar to our general LT recipients—the key difference in the postoperative period was the duration of supplementary O2 requirement. Hb of ≥130 g/L on the day of LT correlated with a longer PICU stay (P value = 0.02), duration of supplementary O2 (P value = 0.005), and the need for the latter beyond 7 days after LT (P value = 0.01). Fifteen patients had resolution of their HPS after LT. The 5‐, 10‐, and 20‐year survival rates were unchanged at 87.5%. None had a recurrence of HPS. In conclusion, HPS is a life‐threatening complication of cirrhosis which usually develops insidiously. This combined with the often‐stable nature of the liver disease leads to delays in diagnosis and listing for LT. Progressive polycythemia extends the need for supplementary O2 and PICU stay. We advocate screening for HPS with a combination of SpO2 and Hb monitoring to facilitate earlier recognition, timely LT, and shortened recovery periods.
Increasing Liver Transplantation Wait‐List Dropout for Hepatocellular Carcinoma With Widening Geographical Disparities: Implications for Organ Allocation
Authors: Mehta Neil , Dodge Jennifer L. , Hirose Ryutaro , Roberts John P. , Yao Francis Y.
Published: August 2018

Given the increasing incidence of hepatocellular carcinoma (HCC) and regional variation in liver transplantation (LT) rates for HCC, we investigated temporal and geographic disparities in LT and wait‐list dropout. LT candidates receiving Model for End‐Stage Liver Disease (MELD) exception from 2005 to 2014 were identified from the United Network for Organ Sharing database (n = 14,320). Temporal differences were compared across 2 eras (2005‐2009 and 2010‐2014). Regional groups were defined based on median wait time as long‐wait region (LWR; regions 1, 5, and 9), mid‐wait region (MWR; regions 2, 4, 6, 7, and 8), and short‐wait region (SWR; regions 3, 10, and 11). Fine and Gray competing risk regression estimated risk of wait‐list dropout as hazard ratios (HRs). The cumulative probability of LT within 3 years was 70% in the LWR versus 81% in the MWR and 91% in the SWR (P < 0.001). From 2005‐2009 to 2010‐2014, median time to LT increased by 6.0 months (5.6 to 11.6 months) in the LWR compared with 3.8 months (2.6 to 6.4 months) in the MWR and 1.3 months (1.0 to 2.3 months) in the SWR. The cumulative probability of dropout within 3 years was 24% in the LWR versus 16% in the MWR and 8% in the SWR (P < 0.001). From 2005‐2009 to 2010‐2014, the LWR also had the greatest increase in probability of dropout. Risk of dropout was increased in the LWR (HR, 3.5; P < 0.001) and the MWR (HR, 2.2; P < 0.001) compared with the SWR, and year of MELD exception 2010‐2014 (HR, 1.9; P < 0.001) compared with 2005‐2009. From 2005‐2009 to 2010‐2014, intention‐to‐treat 3‐year survival decreased from 69% to 63% in the LWR (P < 0.001), 72% to 69% in the MWR (P = 0.008), and remained at 74% in the SWR (P = 0.48). In conclusion, we observed a significant increase in wait‐list dropout in HCC patients in recent years that disproportionately impacted LWR patients. Widening geographical disparities call for changes in allocation policy as well as enhanced efforts at increasing organ donation and utilization.
An Unusual Dystonic Manifestation in Wilson's Disease
Authors: Overdijk M. Joleine , de Bie Rob M.A. , Berendse Henk W. , van Rootselaar Anne‐Fleur
Published: August 2018

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What research is needed to validate new urodynamic methods? ICI‐RS2017
Authors: Harding Christopher , Rosier Peter F.W.M. , Drake Marcus J. , Valentini Francoise , Nelson Pierre P. , Goping Ing , Gammie Andrew
Published: August 2018

Aims

In recent years urodynamic innovations, although well researched, have failed to follow a standardized development pathway specifically in terms of clinical trials undertaken to demonstrate efficacy. This was discussed at the International Consultation on Incontinence Research Society (ICI‐RS) in Bristol, United Kingdom, 2017 with the aim of defining minimum standards for future urodynamic research.

Methods

The recent recommendations from the IDEAL (innovation, development, exploration, assessment, and long‐term study) collaboration regarding surgical research were reviewed. Two examples of recent novel urodynamic technologies, the penile cuff test and air charged urodynamic catheters were used as case studies and the research programmes behind their development were critiqued.

Results

The rigorous and standardized model of surgical research proposed by the IDEAL collaboration was endorsed as an appropriate model for future urodynamic research. A methodical approach to research can fulfil a host of objectives including illustration of the clinical need, help with design and refinement of technique and proving efficacy for any new test or device. The penile cuff test is a novel urodynamic measurement technique that has been well researched and is now used in clinical practice. Further research is needed before air charged catheters can be recommended for widespread clinical use and the IDEAL framework provides a template for ongoing development.

Conclusions

In the future, these recommendations should lead to a more standardized and uniform programme of urodynamic research and enable a thorough evaluation of new technologies prior to wider clinical uptake.
Comparison of quantitative real‐time PCR and short‐term (18‐hour) microculture in diagnosis of fetal cytomegalovirus infection: Impact of hyperimmunoglobulin treatment
Authors: Penka Lukas , Kagan Karl‐Oliver , Goelz Rangmar , Hamprecht Klaus
Published: August 2018

Objective

The prognostic value of human cytomegalovirus detection (HCMV) DNA levels from amniotic fluid (AF) for the outcome of the infected newborn is still a matter of debate, especially if the onset of maternal primary infection at amniocentesis is unknown. The objective of this study was to investigate the analytical performance in short‐term (18‐hour) microculture from preconcentrated samples and quantitative real‐time PCR (rtPCR) for diagnosis of fetal HCMV infection.

Methods

A retrospective diagnostic study was conducted on 51 AF samples taken from women that transmitted HCMV prenatally. Amniocentesis was performed around 22‐week gestation. The samples were tested for HCMV viral load via quantitative rtPCR and additionally with quantitative short‐term (18‐hour) microculture following preconcentration via a 50 000 g centrifugation step prior to inoculation to fibroblast monolayers.

Results

Both methods show correlating results (ρ = 0.903). In 25 samples, the women received intravenous hyperimmunoglobulin prior to amniocentesis resulting in a lower correlation of both quantitative methods (ρ = 0.445), in reduced median copy numbers of HCMV DNA (P = .037) and reduced viral infectivity in short‐term microculture (P = .025).

Conclusion

Both methods lead to correlating results using AF samples from HIG‐naïve women. Human cytomegalovirus viral load and infectivity in cell culture are reduced in samples following maternal hyperimmunoglobulin treatment.
Theoretical investigation on facial and stereoselectivity in Diels‐Alder cycloadditions of maleic anhydride to dissymmetric cage‐annulated cyclohexa‐1,3‐dienes
Authors: Atalay Abdurrahman , Abbasoglu Rza
Published: August 2018

The facial and stereoselectivity of the polar Diels‐Alder (P‐DA) reaction of dissymmetric cage‐annulated cyclohexa‐1,3‐diene,10,12,13,14‐tetrachloro‐11,11‐dimethoxy‐hexacyclo [7.5.1.01,6.06,13.08,12.010,14]pentadeca‐2,4‐diene‐7,15‐dione with maleic anhydride, has been theoretically investigated using density functional theory (DFT) method at B3LYP/6‐31G(d) level. Within possible 4 reaction pathways of this P‐DA reaction explored, the anti/endo reactive channel is found to be favored both kinetically and thermodynamically according to calculated results, in compatible with experimental findings. The analysis of DFT‐based global and local reactivity indices of reagents at the ground state enables us to correctly explain the polar nature of these DA reactions' pathways. The presence of steric interactions appeared at exo approaches and nonclassical hydrogen bond interactions seen at endo ones has significant effect on both facial and stereoselectivity of the corresponding DA reaction.
The experience of persistent pain and quality of life among women following treatment for breast cancer: An attachment perspective
Authors: Smith Michelle D. , Meredith Pamela J. , Chua Siong Yin
Published: August 2018

Objectives

The aims of this study were to investigate associations between attachment and the presence of persistent pain in women following treatment for breast cancer and to investigate the relationship between attachment, pain, and quality of life (QOL) in women with persistent pain.

Methods

Women (N = 335) previously diagnosed with primary non‐metastatic breast cancer completed an online survey with measures of attachment, pain, QOL, demographics, and medical history. Variables were compared between women with (N = 128) and without (N = 207) persistent pain. For those reporting pain, regression analyses were conducted to investigate relationships between attachment, pain, and QOL.

Results

Higher attachment anxiety, but not attachment avoidance, was related to the presence of persistent pain. Among women with persistent pain, associations between attachment anxiety and avoidance and greater pain intensity were lost when pain catastrophizing was considered in analysis. Significant associations between attachment and diminished QOL and perceived effectiveness of pain management were identified in multivariate analysis.

Conclusions

These findings extend the available literature regarding associations between pain and attachment insecurity. In women with pain after breast cancer treatment, attachment anxiety and avoidance were associated with negative pain and QOL outcomes. Further attention regarding the use of attachment‐informed approaches in supporting women following breast cancer treatment is indicated.
Adaptive covariance inflation in the ensemble Kalman filter by Gaussian scale mixtures
Authors: Raanes Patrick N. , Bocquet Marc , Carrassi Alberto
Published: August 2018

This paper studies multiplicative inflation: the complementary scaling of the state covariance in the ensemble Kalman filter (EnKF). Firstly, error sources in the EnKF are catalogued and discussed in relation to inflation; nonlinearity is given particular attention as a source of sampling error. In response, the “finite‐size” refinement known as the EnKF‐N is re‐derived via a Gaussian scale mixture, again demonstrating how it yields adaptive inflation. Existing methods for adaptive inflation estimation are reviewed, and several insights are gained from a comparative analysis. One such adaptive inflation method is selected to complement the EnKF‐N to make a hybrid that is suitable for contexts where model error is present and imperfectly parametrized. Benchmarks are obtained from experiments with the two‐scale Lorenz model and its slow‐scale truncation. The proposed hybrid EnKF‐N method of adaptive inflation is found to yield systematic accuracy improvements in comparison with the existing methods, albeit to a moderate degree.
Simulating vertical excitation energies of solvated dyes: From continuum to polarizable discrete modeling
Authors: Giovannini Tommaso , Macchiagodena Marina , Ambrosetti Matteo , Puglisi Alessandra , Lafiosca Piero , Lo Gerfo Giulia , Egidi Franco , Cappelli Chiara
Published: August 2018

We present a computational study on the spectroscopic properties of UV‐Vis absorbing dyes in water solution. We model the solvation environment by using both continuum and discrete models, with and without polarization, to establish how the physical and chemical properties of the solute–solvent interaction may affect the spectroscopic response of aqueous systems. Seven different compounds were chosen, representing different classes of organic molecules. The classical atomistic description of the solvent molecules was enriched with polarization effects treated by means of the fluctuating charges (FQ) model, propagated to the first‐order response function of the quantum‐mechanical (QM) solute to include its effects withing the modeling of the electronic excitations of the systems. Results obtained with the QM/FQ model were compared with those from continuum solvation models as well as nonpolarizable atomistic models, and then confronted with the experimental values to determine the accuracy that can be expected with each level of theory. Moreover, a thorough structural analysis using molecular dynamics simulations is provided for each system.