bluuebunny/crossref_metadata_2025_split huggingface dataset:
1,2,4‐Triazole‐3‐thione Compounds as Inhibitors of Dizinc Metallo‐β‐lactamases
Authors: Sevaille Laurent , Gavara Laurent , Bebrone Carine , De Luca Filomena , Nauton Lionel , Achard Maud , Mercuri Paola , Tanfoni Silvia , Borgianni Luisa , Guyon Carole , Lonjon Pauline , Turan‐Zitouni Gülhan , Dzieciolowski Julia , Becker Katja , Bénard Lionel , Condon Ciaran , Maillard Ludovic , Martinez Jean , Frère Jean‐Marie , Dideberg Otto , Galleni Moreno , Docquier Jean‐Denis , Hernandez Jean‐François 
Published: May 2017

AbstractMetallo‐β‐lactamases (MBLs) cause resistance of Gram‐negative bacteria to β‐lactam antibiotics and are of serious concern, because they can inactivate the last‐resort carbapenems and because MBL inhibitors of clinical value are still lacking. We previously identified the original binding mode of 4‐amino‐2,4‐dihydro‐5‐(2‐methylphenyl)‐3H‐1,2,4‐triazole‐3‐thione (compound IIIA) within the dizinc active site of the L1 MBL. Herein we present the crystallographic structure of a complex of L1 with the corresponding non‐amino compound IIIB (1,2‐dihydro‐5‐(2‐methylphenyl)‐3H‐1,2,4‐triazole‐3‐thione). Unexpectedly, the binding mode of IIIB was similar but reverse to that of IIIA. The 3 D structures suggested that the triazole–thione scaffold was suitable to bind to the catalytic site of dizinc metalloenzymes. On the basis of these results, we synthesized 54 analogues of IIIA or IIIB. Nineteen showed IC50 values in the micromolar range toward at least one of five representative MBLs (i.e., L1, VIM‐4, VIM‐2, NDM‐1, and IMP‐1). Five of these exhibited a significant inhibition of at least four enzymes, including NDM‐1, VIM‐2, and IMP‐1. Active compounds mainly featured either halogen or bulky bicyclic aryl substituents. Finally, some compounds were also tested on several microbial dinuclear zinc‐dependent hydrolases belonging to the MBL‐fold superfamily (i.e., endonucleases and glyoxalase II) to explore their activity toward structurally similar but functionally distinct enzymes. Whereas the bacterial tRNases were not inhibited, the best IC50 values toward plasmodial glyoxalase II were in the 10 μm range.
Mechanical and Drug Release Properties of Sponges from Cross‐linked Cellulose Nanofibers
Authors: Fiorati Andrea , Turco Gianluca , Travan Andrea , Caneva Enrico , Pastori Nadia , Cametti Massimo , Punta Carlo , Melone Lucio 
Published: May 2017

AbstractAll‐organic porous sponges were obtained throughout the direct and solvent‐free (oven 105 °C, time>6 h) crosslinking of TEMPO‐oxidized cellulose nanofibers (TOCNF) with 25 kDa branched polyethyleneimine (bPEI) in the presence of different amounts of citric acid (CA) as co‐crosslinker. The chemical and mechanical stability of these materials was provided by the formation of amide bonds between the carboxylic moieties of TOCNF and CA with the primary amines of bPEI. The mechanical properties were investigated under static and dynamic loads with both dry and wet samples. The materials had the interesting capability to recover their shape with reduced losses in mechanical resistance, while their Young's modulus progressively increased with the content of CA. In work toward developing possible applications of bPEI‐TOCNF sponges in drug delivery, amoxicillin (AM) and ibuprofen (IB) were considered as model drugs. All materials showed very good performance in adsorbing both AM and IB (ca. 200 mg g−1) from methanol solution. In particular, an increased adsorption of IB was observed in parallel to the increase of citrate moieties in the samples. Moreover, samples crosslinked in presence of CA showed slower kinetic release in aqueous environments than materials obtained without CA.
Synthesis of 3‐Benzylated Isoindolinones by Photoredox Decarboxylation of Arylacetates in the Presence of N‐Benzylphthalimide: Conductivity as a Kinetic Tool
Authors: Griesbeck Axel G. , Neudörfl Jörg.‐M. , Goldfuss Bernd , Molitor Sabrina 
Published: May 2017

AbstractN‐Benzylphthalimide was selectively monobenzylated when irradiated in the presence of arylacetates in aqueous solution with acetone acting as the triplet sensitizer. The resulting 3‐hydroxyisoindolinones were dehydrated to the corresponding alkenes and hydrogenated to give 3‐benzylisoindolinones, overall a straight‐forward route to biologically relevant isoindolinone structures. Following kinetic traces by conductivity measurements revealed that the primary electron transfer is rate‐determining in contrast to acetate or other alkyl carboxylates as electron‐donor components.
Demand Simulation of Inter‐Regional Railway Passengers Considering Multi‐Mode Route Alternatives
Authors: SHIBATA MUNENORI , SUZUKI TAKAMASA , OKUDA DAIKI 
Published: May 2017

SUMMARYThis study attempts to develop a method for inter‐regional train demand estimation considering multi‐mode route alternatives. A special effort is made to avoid the path overlapping problem when using logit‐type route choice models by adopting the C‐logit type model. The characteristics of route choice behavior between multi‐mode and single‐mode routes are indicated on the basis of the original questionnaire survey data to reveal factors that apply to multi‐mode route choice. On the basis of these factors, the modified C‐logit type route choice model is applied to route choice behavior of inter‐regional passengers to take path overlapping problems in a multi‐mode inter‐regional transportation network into account. Compared to the classic logit‐type model, the developed model has a better performance, a conclusion drawn on the basis of Akaike's information criterion and the adjusted likelihood ratio. A sample demand simulation is then conducted to demonstrate how the developed model can be applied in practice. The result indicates that the developed model successfully estimated route choice behavior in a multi‐mode inter‐regional transportation network.
Modeling dynamics of native and invasive species to guide prioritization of management actions
Authors: Lohr Cheryl A. , Hone Jim , Bode Michael , Dickman Christopher R. , Wenger Amelia , Pressey Robert L. 
Published: May 2017

AbstractAction to achieve biodiversity conservation is usually expensive, and resources are limited relative to conservation goals. Prioritizing management investment therefore is essential if important goals are to be achieved. New software, the “Islands DSS,” has been developed to prioritize the mix of management actions that will optimally mitigate biodiversity loss. Here, we present novel temporally dynamic models of species population growth, interaction, and management efficacy that have been incorporated into the software. We have analyzed the sensitivity of these models to uncertainty in four parameters: maximum rate of population growth (rmax), coefficient of species interaction (αij), quantity of food resources required to maintain species equilibrium (Ji), and the coefficient of management efficacy (θi). We focused on the projected abundance of species by simulating interactions among one to four species, both invasive and native, on a hypothetical arid‐tropical island that is 1000 ha in size and consists of five evenly distributed habitat types. Sensitivity analysis revealed significant variation in species abundance due to uncertainty in rmax (coefficient = 51.34; P < 0.001) and αij (Ni = −16.48; P = 0.43; Nj = −2.332; P = 2.00−16), a significant but potentially stabilizing effect of modeling multiple species simultaneously (coefficient = −65.80; P = 2.00−16), and mirroring by species response trajectories of threat mitigation trajectories. There are several benefits of using temporally dynamic models of species responses to threat mitigation in systematic conservation planning including increased accuracy in estimates of the cost of management; locally relevant understanding of lag‐times between threat establishment and unacceptable impacts on valued species; understanding of threat abundance and required intensity of control for biodiversity features to persist; site‐ and species‐specific understanding of time to eradication and threat recovery when management is interrupted; and an improved understanding of the opportunity cost, in terms of threat levels and responses of native species, for islands not selected for management. Our models and associated software are based on decades of ecological research, potentially useful in a wide range of situations, including islands, the mainland, and marine regions, and we suggest that they provide managers with novel and powerful tools to efficiently prioritize conservation actions via the new systematic conservation planning software, “Islands DSS.”
Mindfulness meditation regulates anterior insula activity during empathy for social pain
Authors: Laneri Davide , Krach Sören , Paulus Frieder M , Kanske Philipp , Schuster Verena , Sommer Jens , Müller‐Pinzler Laura 
Published: May 2017

AbstractMindfulness has been shown to reduce stress, promote health, and well‐being, as well as to increase compassionate behavior toward others. It reduces distress to one's own painful experiences, going along with altered neural responses, by enhancing self‐regulatory processes and decreasing emotional reactivity. In order to investigate if mindfulness similarly reduces distress and neural activations associated with empathy for others' socially painful experiences, which might in the following more strongly motivate prosocial behavior, the present study compared trait, and state effects of long‐term mindfulness meditation (LTM) practice. To do so we acquired behavioral data and neural activity measures using functional magnetic resonance imaging (fMRI) during an empathy for social pain task while manipulating the meditation state between two groups of LTM practitioners that were matched with a control group. The results show increased activations of the anterior insula (AI) and anterior cingulate cortex (ACC) as well as the medial prefrontal cortex and temporal pole when sharing others' social suffering, both in LTM practitioners and controls. However, in LTM practitioners, who practiced mindfulness meditation just prior to observing others' social pain, left AI activation was lower and the strength of AI activation following the mindfulness meditation was negatively associated with trait compassion in LTM practitioners. The findings suggest that current mindfulness meditation could provide an adaptive mechanism in coping with distress due to the empathic sharing of others' suffering, thereby possibly enabling compassionate behavior. Hum Brain Mapp 38:4034–4046, 2017. © 2017 Wiley Periodicals, Inc.
Prediction of thrombophilia in patients with unexplained recurrent pregnancy loss using a statistical model
Authors: Wang Tongfei , Kang Xiaomin , He Liying , Liu Zhilan , Xu Haijing , Zhao Aimin 
Published: May 2017

AbstractObjectiveTo establish a statistical model to predict thrombophilia in patients with unexplained recurrent pregnancy loss (URPL).MethodsA retrospective case–control study was conducted at Ren Ji Hospital, Shanghai, China, from March 2014 to October 2016. The levels of D‐dimer (DD), fibrinogen degradation products (FDP), activated partial thromboplastin time (APTT), prothrombin time (PT), thrombin time (TT), fibrinogen (Fg), and platelet aggregation in response to arachidonic acid (AA) and adenosine diphosphate (ADP) were collected. Receiver operating characteristic curve analysis was used to analyze data from 158 UPRL patients (≥3 previous first trimester pregnancy losses with unexplained etiology) and 131 non‐RPL patients (no history of recurrent pregnancy loss). A logistic regression model (LRM) was built and the model was externally validated in another group of patients.ResultsThe LRM included AA, DD, FDP, TT, APTT, and PT. The overall accuracy of the LRM was 80.9%, with sensitivity and specificity of 78.5% and 78.3%, respectively. The diagnostic threshold of the possibility of the LRM was 0.6492, with a sensitivity of 78.5% and a specificity of 78.3%. Subsequently, the LRM was validated with an overall accuracy of 83.6%.ConclusionThe LRM is a valuable model for prediction of thrombophilia in URPL patients.
Nonparametric methods and local‐time‐based estimation for dynamic power law distributions
Authors: Fernholz Ricardo T. 
Published: May 2017

SummaryThis paper introduces nonparametric econometric methods that characterize general power law distributions under basic stability conditions. These methods extend the literature on power laws in the social sciences in several directions. First, we show that any stationary distribution in a random growth setting is shaped entirely by two factors: the idiosyncratic volatilities and reversion rates (a measure of cross‐sectional mean reversion) for different ranks in the distribution. This result is valid regardless of how growth rates and volatilities vary across different economic agents, and hence applies to Gibrat's law and its extensions. Second, we present techniques to estimate these two factors using panel data. Third, we describe how our results imply predictability as higher‐ranked processes must on average grow more slowly than lower‐ranked processes. We employ our empirical methods using data on commodity prices and show that our techniques accurately describe the empirical distribution of relative commodity prices. We also show that rank‐based out‐of‐sample forecasts of future commodity prices outperform random‐walk forecasts at a 1‐month horizon.
Quantitative comparative analysis of the nasal chemosensory organs of anurans during larval development and metamorphosis highlights the relative importance of chemosensory subsystems in the group
Authors: Jungblut Lucas David , Reiss John O. , Paz Dante A. , Pozzi Andrea G. 
Published: May 2017

AbstractThe anuran peripheral olfactory system is composed of a number of subsystems, represented by distinct neuroepithelia. These include the main olfactory epithelium and vomeronasal organ (found in most tetrapods) and three specialized epithelia of anurans: the buccal‐exposed olfactory epithelium of larvae, and the olfactory recess and middle chamber epithelium of postmetamorphic animals. To better characterize the developmental changes in these subsystems across the life cycle, morphometric changes of the nasal chemosensory organs during larval development and metamorphosis were analyzed in three different anuran species (Rhinella arenarum, Hypsiboas pulchellus, and Xenopus laevis). We calculated the volume of the nasal chemosensory organs by measuring the neuroepithelial area from serial histological sections at four different stages. In larvae, the vomeronasal organ was relatively reduced in R. arenarum compared with the other two species; the buccal‐exposed olfactory epithelium was absent in X. laevis, and best developed in H. pulchellus. In postmetamorphic animals, the olfactory epithelium (air‐sensitive organ) was relatively bigger in terrestrial species (R. arenarum and H. pulchellus), whereas the vomeronasal and the middle chamber epithelia (water‐sensitive organs) was best developed in X. laevis. A small olfactory recess (likely homologous with the middle chamber epithelium) was found in R. arenarum juveniles, but not in H. pulchellus. These results support the association of the vomeronasal and middle chamber epithelia with aquatic olfaction, as seen by their enhanced development in the secondarily aquatic juveniles of X. laevis. They also support a role for the larval buccal‐exposed olfactory epithelium in assessment of oral contents: it was absent in X. laevis, an obligate suspension feeder, while present in the two grazing species. These initial quantitative results give, for the first time, insight into the functional importance of the peripheral olfactory subsystems across the anuran life cycle.
An RGB to RGBG conversion algorithm for AMOLED panel
Authors: Huang Chengqiang , Zhang Qi , Wang Hui , Feng Songlin 
Published: May 2017

AbstractIn this paper, an RGB‐to‐RGBG conversion algorithm based on the weighting factor (WF) has been proposed. The gray level of each RGBG sub‐pixel is represented by the weighted sum of the original gray levels. The weighting factors are adaptively calculated by minimizing the square error. Furthermore, the color fringing artifact is significantly improved by using this method. Peak signal‐to‐noise ratio of U component and peak signal‐to‐noise ratio of V component of the image processed by WF is larger than that processed by direct assignment and FRB. The mean square error of the image processed by the WF is 14% and 53% smaller than that of image processed by direct assignment and FRB, respectively. The proposed algorithm has been implemented on a field‐programmable gate array, and the displayed image has good visual effect.
Addition of Color Doppler Sonography for Detection of Amniotic Fluid Disturbances and Its Implications on Perinatal Outcomes
Authors: Odibo Imelda N. , Whittemore Brianna S. , Hughes Dawn S. , Simmons Pamela M. , Ounpraseuth Songthip T. , Magann Everett F. 
Published: May 2017

ObjectivesTo determine whether color Doppler sonography increases the detection of pregnancies at risk for adverse outcomes.MethodsParticipants admitted to labor and delivery with the anticipation of a vaginal delivery underwent measurements of amniotic fluid volume (AFV) using amniotic fluid index (AFI) and single deepest pocket (SDP) techniques by grayscale followed by color Doppler sonography. Oligohydramnios was defined as an AFI of less than 5 cm or an SDP of less than 2 cm. Intrapartum and perinatal outcomes were compared between participants with a diagnosis of a low AFV by grayscale and color Doppler sonography.ResultsOver 42 months, 428 women were enrolled in the study. Color Doppler sonography resulted in lower AFV estimates (mean ± SD by the AFI, 10.7 ± 3.7 cm by grayscale sonography and 8.6 ± 3.6cm by color Doppler sonography; P < .0001). For the SDP, the mean AFVs were 4.6 ± 2.0 cm by grayscale sonography and 3.4 ± 1.4 cm by color Doppler sonography (P < .0001). The level of agreement between grayscale and color Doppler sonography in estimating the AFV was fair, with κ = 0.32 for the AFI and 0.28 for the SDP. Outcome measures of AFVs classified as low based on color Doppler sonography (normal by grayscale sonography) and those classified as low by grayscale sonography (low by color Doppler sonography) were compared. There was no difference in composite perinatal complications, mode of delivery, or composite neonatal complications.ConclusionsThe use of color Doppler sonography leads to the overdiagnosis of low AFVs and does not appear to increase the detection of pregnancies destined for adverse intrapartum or perinatal outcomes.
A novel marine bioinvasion vector: Ichthyochory, live passage through fish
Authors: Guy‐Haim Tamar , Hyams‐Kaphzan Orit , Yeruham Erez , Almogi‐Labin Ahuva , Carlton James T. 
Published: May 2017

AbstractMany species of Indo‐Pacific holobenthic foraminifera have been introduced and successfully established sustainable populations in the Mediterranean Sea over the past few decades. However, known natural and anthropogenic vectors do not explain how these species were introduced long distances from their origin. We present evidence for a novel marine bioinvasion vector explaining this long‐distance transport and introduction using both contemporary field and historical analyses. In 2015–2016, we found living specimens of 29 foraminiferal species in the fecal pellets of two Red Sea herbivorous rabbitfish—Siganus rivulatus and Siganus luridus in the Mediterranean. In our historical analysis, we found 34 foraminiferal species in preserved Red Sea rabbitfish specimens, dating between 1967 and 1975. In addition, we found congruent propagation patterns of the non‐indigenous rabbitfish and foraminifera, lagging 4–11 yrs between discoveries, respectively. Predation of marine benthos by non‐indigenous fish, followed by incomplete digestion and defecation of viable individuals, comprise the main introduction vector of these organisms into novel environments.
Wetting Transitions in Polymer Nanograss Generated by Nanoimprinting
Authors: Hönes Roland , Kondrashov Vitaliy , Huai Haosu , Rühe Jürgen 
Published: May 2017

To study the transitions between wetting regimes on highly rough surfaces, the authors have fabricated a set of polymer nanograss surfaces with virtually identical geometry, but different surface chemistry by double replication. A common silicon master of the “black silicon” type, obtained by cryogenic SF6/O2 plasma etching, is used for all replications. Additionally, the same process is used to generate nanograss‐carrying, transferrable foils, and the authors show how to increase sample size by multiple lithography steps side by side on one support. This process proves generally applicable to soluble thermoplastics. Thus, by choosing polymers with different surface energy, all three possible wetting regimes on highly rough surfaces are realized—superwetting, superhydrophobicity, and the intermediate, sticky Wenzel regime. The locations of and the phenomena close to the transitions between these three wetting regimes are studied, based on dynamic contact angle measurements.
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Effects of Alterations to Ziegler–Natta Catalysts on Kinetics and Comonomer (1‐Butene) Incorporation
Authors: Aigner Paul , Averina Elena , Garoff Thomas , Paulik Christian 
Published: May 2017

AbstractVarious MgCl2‐supported Ziegler–Natta (ZN) catalysts are synthesized with the intention to influence polymerization performance and 1‐butene incorporation in an ethylene copolymer. Modifications are introduced during different steps in the synthesis process, namely support preparation, titanation, and catalyst workup. While multiple different effects are observed upon modification, heat treatment during titanation shows the greatest impact. Increasing the heat‐treatment temperature increases polymerization activity. More importantly, the 1‐butene distribution can be shifted toward a more homogeneous profile. The amount of 1‐butene incorporated is similar to both for short‐ and for very long‐chain molecules. This behavior has so far been known only from metallocene‐based polyethylene and suggests that active sites are distributed more homogeneously in the ZN catalyst.
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The three‐vessel and trachea view (3VTV) in the first trimester of pregnancy: an additional tool in screening for congenital heart defects (CHD) in an unselected population
Authors: De Robertis Valentina , Rembouskos Georgios , Fanelli Tiziana , Volpe Grazia , Muto Brunella , Volpe Paolo 
Published: May 2017

AbstractObjectiveThe aim of the study was to evaluate the feasibility of obtaining the three‐vessel and trachea view (3VTV) in an unselected population undergoing first trimester screening for aneuploidy, and to investigate its role in the early detection of congenital heart defects (CHD).MethodsCardiac examination was performed by expert sonographers. Abnormal findings of 3VTV were classified in three different subgroups: number, size and spatial relationship of the vessels.ResultsWe enrolled 6350 consecutive singleton pregnancies and included 5343 cases. Examination of 3VTV was feasible in 94% of cases. Fifty‐seven (1%) CHD were present in the study period; 24 cases were excluded because parents opted for termination of pregnancy. Of the remaining 33 cases, 25 were suspected at the first trimester and eight were detected only at the mid‐trimester. An abnormal 3VTV was suspected in 22 cases, and it was confirmed in 21. Five cases that were erroneously classified in the subgroup of abnormal vessel number were actually characterized by a diminutive size of one of the great arteries. The detection rate for CHD, including 4‐CV and 3VTV, was 75.8%.ConclusionsOur study demonstrates that 3VTV is an easy plane to obtain by expert sonographers in an unselected population during first trimester. Typical suspicions include detection of abnormal number, size or spatial relationship of the vessels. © 2017 John Wiley & Sons, Ltd.