bluuebunny/crossref_metadata_2025_split huggingface dataset:
Interaction between turbulent flow and sea breeze front over urban‐like coast in large‐eddy simulation
Authors: Jiang Ping , Wen Zhiping , Sha Weiming , Chen Guixing 
Published: May 2017

AbstractTurbulent flow and its interaction with a sea breeze front (SBF) over an urban‐like coast with a regular block array were investigated using a building‐resolving computational fluid dynamics model. It was found that during daytime with an offshore ambient flow, streaky turbulent structures tended to grow within the convective boundary layer (CBL) over a warm urban surface ahead of the SBF. The structures were organized as streamwise streaks at an interval of a few hundred meters, which initiated at the rooftop level with strong wind shear and strengthens in the CBL with moderate buoyancy. The streaks then interacted with the onshore‐propagating SBF as it made landfall. The SBF, which was initially characterized as a shallow and quasi‐linear feature over the sea, developed three‐dimensional structures with intensified updrafts at an elevated frontal head after landfall. Frontal updrafts were locally enhanced at intersections where the streaks merged with the SBF, which greatly increased turbulent fluxes at the front. The frontal line was irregular because of merging, tilting, and transformation effects of vorticity associated with streaky structures. Inland penetration of the SBF was slowed by the frictional effect of urban‐like surfaces and turbulent flow on land. The overall SBF intensity weakened after the interaction with turbulent flow. These findings aid understanding of local weather over coastal cities during typical sea breeze conditions.
Cumulative Sum (CUSUM) Chart
Authors: Gan Fah Fatt 
Published: May 2017

AbstractThe use of the cumulative sum (CUSUM) charting procedure in process monitoring is first described. The relationship between the CUSUM charting procedure and Wald's sequential probability ratio test is then explained. This is followed by three main approaches of determining the average run length. The strengths and weaknesses of the CUSUM charting procedure, with respect to the Shewhart charting procedure, are illustrated with simulated data sets. Various other aspects of the CUSUM chart are also discussed. These include estimation of process mean using the CUSUM, weighting of samples for signaling, fast initial response for a newly start‐up process, simultaneous CUSUM schemes, design of CUSUM chart, multivariate CUSUM schemes, and risk‐adjusted CUSUM charts.
Correction Methods for Non‐
G
aussian
B
erkson Errors in Bioassay
Authors: Donev Alexander N. 
Published: May 2017

Abstract
Setting the factor levels in designed experiments is sometimes done with errors. The case when these are Berkson errors is discussed. Ignoring them in the statistical analysis induces inaccurate estimates of the variance of the response of interest and may lead to bias in the estimates of the model parameters. Minimizing this effect can be achieved using correction methods, such as regression calibration and a simulation and extrapolation method. These methods are described and contrasted with the methods used for correcting errors in variables in observation studies. The setting of bioassay experiments is used to illustrate the ideas.
The B‐SIMEX method is particularly effective when the Berkson errors are non‐Gaussian and dependent. Regression calibration is also useful when the errors are independent.
Polysaccharide Nanobiotechnology: A Case Study of Dental Implant Coating
Authors: Morra Marco , Cassinelli Clara , Cascardo Giovanna , Kokkonen Hanna , Tuukkanen Juha , Volpe Claudio Della , Siboni Stefano , Segatta Giordano , Brugnara Marco , Ceccone Giacomo 
Published: May 2017

AbstractSurface modification of biomaterials and medical devices by polysaccharides is presently a topic of great interest, both at fundamental and applied levels. Plant polysaccharides constitute an untapped resource in this regard. The very self‐assembly properties of the polymers that the plant cell exploits during cell wall biogenesis may be exploited in assembly of contiguous coatings of medical devices and implants. Cell wall polysaccharides not only display advantageous physical properties but some are also known to be biologically active in a mammalian context. Bioactivities include anti‐inflammatory and immunomodulatory effects that are hypothesized to suppress rejection and promote implant integration. These activities are in most cases associated with polysaccharides of the pectin family. The present study thus focuses on engineering biocompatible surfaces using rhamnogalacturonan‐I. The target application is titanium dental implants and the study reports extensively on the methods used for surface characterization, both biological methods that probe biocompatability and nanotechnology methods used for the physical characterization of the modified surfaces.
Nitrogen Assimilation and its Relevance to Crop Improvement
Authors: Lea Peter J. , Miflin Ben J. 
Published: May 2017

AbstractThe majority if not all of the organic nitrogen in plants is derived from the assimilation of ammonia into the amide position of glutamine by the enzyme glutamine synthetase (GS). A second enzyme, glutamate synthase, also known as glutamine:2‐oxoglutarate amidotransferase (GOGAT), carries out the transfer of the amide group of glutamine to 2‐oxoglutarate to yield two molecules of glutamate and thus completes the assimilation of ammonia into amino acids. This GS/GOGAT pathway of ammonia assimilation is of crucial importance for crop growth and productivity and ultimately animal and human nutrition. Glutamate dehydrogenase (GDH) is now considered to be only involved in glutamate catabolism to form ammonia, an important role in N recycling within the plant. Nitrogen is also often diverted from glutamine to asparagine as a temporary measure during periods of carbohydrate shortage and excess of reduced nitrogen. This diversion requires the action of asparagine synthetase in the anabolic reaction and asparaginase in the catabolic reaction. This chapter describes the properties of these enzymes in the assimilation and reassimilation of nitrogen and in particular the genes that encode them, their complexity and the time and place they are expressed. Plant transformation has allowed the construction of a range of plants with enhanced and decreased activity of several of these enzymes, some of which have shown improved agronomic performance.
Transcriptional Profiling Approaches for Studying Nitrogen Use Efficiency
Authors: Hawkesford Malcolm J. , Howarth Jonathan R. 
Published: May 2017

Abstract
Nitrogen use efficiency comprises multiple interacting subtraits. In agronomic terms, the two major components are nitrogen uptake efficiency and nitrogen utilization efficiency, the former dominated by root acquisition processes and the latter describing harvestable yield as function of the nitrogen taken up. The complexity of both of these processes is ideally tackled using genomic approaches including transcriptomics. Profiling gene expression in relation to nitrogen supply and with the consideration of germplasm variation is a route to identifying genes underpinning key traits involved in the efficient use of nitrogen. Substantial progress has been made on identifying nitrogen‐responsive genes in model plant systems; however, a challenge remains to incorporate these technologies into crop improvement programmes. An approach is detailed where field agronomic performance is related to specific gene expression in canopy tissues, which is indicative of the efficiency of nitrogen remobilization processes from the canopy to the grain in wheat. Identified genes include transcription factors likely to be involved in controlling expression of multiple genes encoding the various components in the complex pathways contributing to the traits.
Nitric Oxide Signalling in Plants: Cross‐Talk withCa2+, Protein Kinases and Reactive Oxygen Species
Authors: Astier Jéremy , Besson‐Bard Angélique , Wawer Izabela , Parent Claire , Rasul Sumaira , Jeandroz Sylvain , Dat James , Wendehenne David 
Published: May 2017

AbstractNitric oxide (NO) is a gaseous free radical recognized as a ubiquitous signal transducer that contributes to various biological processes in animals. It exerts most of its effects by regulating the activities of various proteins including Ca2+channels, protein kinases and transcription factors. In plants, studies conducted over the past 10 years revealed that NO also functions as an endogenous mediator in diverse physiological processes ranging from root development to stomatal closure. Its biological role as an intracellular plant messenger molecule, however, remains poorly understood. Here, we review the molecular basis of NO signalling in animals and discuss current knowledge of NO signalling in plants, focusing on its interplay with Ca2+, protein kinases and reactive oxygen species which are well established as widespread key regulators of signal transduction.
Crops and Tasty, Nutritious Food – How Can Metabolomics Help?
Authors: Stewart Derek , Shepherd Louise V.T. , Hall Robert D. , Fraser Paul D. 
Published: May 2017

AbstractFood quality, security and safety have become topics of considerable recent interest. With a rapidly growing world population, entailing an ever‐expanding requirement for food, and with the global consumer making higher and better‐informed demands on our crop and food producers, much attention is being given to how we can meet all these growing needs. Crop growers and food processors alike are already looking at state‐of‐the‐art technologies such as metabolomics as a source of new inroads into the generation of detailed knowledge on the biochemical composition of crop products and how they change during transport, storage and industrial processing. All the steps in the food production chain, from the moment the plant breeder makes the first cross to the canning factory delivering to the supermarket distributor, have potentially significant influence on the quality of the final product the consumer places on the kitchen table. Metabolomics of crop plants and plant products is already being widely applied and is generating new information on the complexity of food composition. In this chapter, some of the main subjects of recent research, concerning both fresh and processed materials, are covered. Emphasis has been laid on technological advances and how we approach food improvement strategies as well as the role of metabolomics is also finding a role in food safety analysis.
Genetics, Genomics and Metabolomics
Authors: Fernie Alisdair R. , Keurentjes Joost J.B. 
Published: May 2017

Abstract

Metabolomics approaches enable the parallel assessment of the levels of a broad range of metabolites. They have been documented to have great value in phenotyping and diagnostic analyses in plants as well as showing great promise as a tool for bio‐prospecting novel pharmaceuticals. These tools have recently been turned to evaluation of the natural variance apparent in metabolite composition both in the model species
Arabidopsis thaliana
and a range of crop species. Here, we describe exciting progress made in the identification of the genetic determinants of plant chemical composition, focusing on the application of various different metabolomics strategies. We focus on the integration of these data with those other high‐throughput technologies and discuss the value of such approaches for gaining fundamental insights into metabolic and even cellular regulation. Finally, we discuss the fact that when considered from an applied perspective metabolomics represents an important addition to the tools currently employed in genomics‐assisted selection for crop improvement.
Transmetalation of Alkylzirconocenes in Copper‐Catalyzed Alkyl–Alkynyl Cross‐Coupling Reactions
Authors: Indukuri Kiran , Riant Olivier 
Published: May 2017

AbstractA simple copper‐catalyzed alkyl–alkynyl cross‐coupling strategy has been developed using the reaction between alkynyl bromides and alkylzirconocenes. The alkylzirconocenes were generated in situ via regioselective addition of Schwartz's reagent (ZrCp2HCl) on to alkenes. The reaction has a broad scope, a range of functionalized bromoalkynes and alkylzirconium reagents were successfully coupled, resulting in moderate to good yields of the desired internal alkynes.magnified image
Dielectric response of frustrated water down to a single‐molecule contribution
Authors: Fernández Ariel 
Published: May 2017

A theory of dielectric response of water under nanoscale confinement was long overdue. This work addresses the problem by establishing a relation between dielectric response and hydrogen‐bond frustration subsumed in a non‐Debye polarization term. The results hold down to the single‐molecule contribution and are validated vis‐à‐vis experimental measurements on a system where dielectric modulation entails removal of a single water molecule. The frustrated dielectric response down to molecular scales is assessed by contrasting two enantiomeric ligands in association with the same protein, with the complexes differing in the removal of a single interfacial water molecule.
image
Detection of Localized Hepatocellular Amino Acid Kinetics by using Mass Spectrometry Imaging of Stable Isotopes
Authors: Arts Martijn , Soons Zita , Ellis Shane R. , Pierzchalski Keely A. , Balluff Benjamin , Eijkel Gert B. , Dubois Ludwig J. , Lieuwes Natasja G. , Agten Stijn M. , Hackeng Tilman M. , van Loon Luc J. C. , Heeren Ron M. A. , Olde Damink Steven W. M. 
Published: May 2017

AbstractMass spectrometry imaging (MSI) simultaneously detects and identifies the spatial distribution of numerous molecules throughout tissues. Currently, MSI is limited to providing a static and ex vivo snapshot of highly dynamic systems in which molecules are constantly synthesized and consumed. Herein, we demonstrate an innovative MSI methodology to study dynamic molecular changes of amino acids within biological tissues by measuring the dilution and conversion of stable isotopes in a mouse model. We evaluate the method specifically on hepatocellular metabolism of the essential amino acid l‐phenylalanine, associated with liver diseases. Crucially, the method reveals the localized dynamics of l‐phenylalanine metabolism, including its in vivo hydroxylation to l‐tyrosine and co‐localization with other liver metabolites in a time course of samples from different animals. This method thus enables the dynamics of localized biochemical synthesis to be studied directly from biological tissues.
Access to Hexahydrocarbazoles: The Thorpe–Ingold Effects of the Ligand on Enantioselectivity
Authors: Chen Hao , Wang Lijia , Wang Feng , Zhao Liu‐Peng , Wang Pan , Tang Yong 
Published: May 2017

AbstractA novel cyclization reaction of methylenemalonate with indoles is reported, and it provides efficient access to a variety of hexahydrocarbazoles. The enantioselective version was realized by a finely tuned ligand/CuII catalyst. The optically active hexahydrocarbazoles contain three quaternary carbon centers and are obtained in up to 99 % yield with greater than 99:1 d.r. and up to greater than 99 % ee. This reaction can be carried out on gram scale and stereoselective transformation of the product led to the core structure of a series of alkaloids from Kopsia plants.
Silver‐Catalyzed Three‐Component 1,1‐Aminoacylation of Homopropargylamines: α‐Additions for Both Terminal Alkynes and Isocyanides
Authors: Tong Shuo , Piemontesi Cyril , Wang Qian , Wang Mei‐Xiang , Zhu Jieping 
Published: May 2017

AbstractThe reaction of secondary homopropargylamines, isocyanides, and water in the presence of a catalytic amount of silver acetate and subsequent purification by chromatography on silica gel afforded substituted proline amides in good to excellent yields. Primary homopropargylamines underwent a cyclizative Ugi–Joullié three‐component reaction with isocyanides and carboxylic acids to afford functionalized N‐acyl proline amides. High diastereoselectivity was observed in the synthesis of 4‐alkoxy and 4,5‐disubstituted proline derivatives. This work represents the first examples of a three‐component cyclizative 1,1‐aminoacylation of terminal alkynes.
Structure–stability correlation of copolyimide membranes derived from aliphatic/alicyclic/aromatic diamine and aromatic dianhydrides
Authors: Loukotová Lenka , Dodda Jagan M. , Bělský Petr , Kullová Lucie , Kadlec Jaroslav , Podivinská Martina , Vohlídal Jiří 
Published: May 2017

ABSTRACTNew polyamic acids with ‐A‐B‐A‐C‐ type periodic sequence of monomeric units (A derived from a diamine, B from benzophenone‐3,3′,4,4′‐tetracarboxylic dianhydride, and C from benzene‐1,2,4,5‐tetracarboxylic dianhydride) are prepared and transformed into polyimide membranes that are examined by various methods in order to investigate the influence of diamine units (aliphatic, alicyclic, or aromatic) on the morphology, thermal stability, and mechanical properties of membranes. Small‐ and wide‐angle X‐ray scattering and Atomic force microscopy show amorphous character of all membranes except for those containing hexane‐1,6‐diamine units. Thermogravimetric analysis reveals a decrease in the initial decomposition temperature from 551/501 °C to 437/395 °C (for N2/O2 atmosphere) when going from membranes with aromatic to those with aliphatic diamine units. Dynamic mechanical analysis shows quite high initial storage modulus (2100–3300 MPa) for all membranes at frequencies of 1, 10, and 20 Hz. The properties of prepared copolymeric polyimide are promising for a wide range of their potential technological applications. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45227.
Development and validation of HPLC‐MS/MS method for the determination of lixivaptan in mouse plasma and its application in a pharmacokinetic study
Authors: Kadi Adnan A. , Alrabiah Haitham , Attwa Mohamed W. , Attia Sabry , Mostafa Gamal A. E. 
Published: May 2017

AbstractThe aim of the present study was to develop a simple, sensitive and accurate liquid chromatography–electrospray ionization tandem mass spectrometry (ESI‐MS/MS) method for the determination of lixivaptan (LIX) in mouse plasma using vildagliptin as the internal standard (IS). A precipitation procedure was used for the extraction of LIX and vildagliptin from mouse plasma. Chromatographic separation of LIX was achieved using a C18 analytical column (50 × 2.1 mm, 1.8 μm) at 25°C. The mobile phase comprised acetonitrile and ammonium formate (10 mm, pH 3.1; 40:60, v/v) pumped at a flow rate of 0.3 mL min−1. A tandem mass spectrometer with an electrospray ionization source was used to perform the assay. Quantification of LIX at m/z 290 → 137 and IS at 154 → 97 was attained through multiple reaction monitoring. The investigated method was authenticated following the bio‐analytical method of validation guidelines of the US Food and Drug Administration. The developed method showed a good linearity over the concentration range from 5 to 500 ng mL−1, and the calibration curve was linear (r = 0.9998). The mean recovery of LIX from mouse plasma was 99.2 ± 0.68%. All validation parameters for LIX were within the levels required for acceptance. The proposed method was effectively used for a pharmacokinetic study of LIX in mouse plasma.
Conformational Analysis of the Mannosidase Inhibitor Kifunensine: A Quantum Mechanical and Structural Approach
Authors: Males Alexandra , Raich Lluís , Williams Spencer J. , Rovira Carme , Davies Gideon J. 
Published: May 2017

AbstractThe varied yet family‐specific conformational pathways used by individual glycoside hydrolases (GHs) offer a tantalising prospect for the design of tightly binding and specific enzyme inhibitors. A cardinal example of a GH‐family‐specific inhibitor, and one that finds widespread practical use, is the natural product kifunensine, which is a low‐nanomolar inhibitor that is selective for GH family 47 inverting α‐mannosidases. Here we show, through quantum‐mechanical approaches, that kifunensine is restrained to a “ring‐flipped” 1C4 conformation with another accessible, but higher‐energy, region around the 1,4B conformation. The conformations of kifunensine in complex with a range of GH47 enzymes—including an atomic‐level resolution (1 Å) structure of kifunensine with Caulobacter sp. CkGH47 reported herein and with GH family 38 and 92 α‐mannosidases—were mapped onto the kifunensine free‐energy landscape. These studies revealed that kifunensine has the ability to mimic the product state of GH47 enzymes but cannot mimic any conformational states relevant to the reaction coordinate of mannosidases from other families.
Impact of pre‐existing or new‐onset atrial fibrillation on 30‐day clinical outcomes following transcatheter aortic valve replacement: Results from the BRAVO 3 randomized trial
Authors: Hengstenberg Christian , Chandrasekhar Jaya , Sartori Samantha , Lefevre Thierry , Mikhail Ghada , Meneveau Nicolas , Tron Christophe , Jeger Raban , Kupatt Christian , Vogel Birgit , Farhan Serdar , Sorrentino Sabato , Sharma Madhav , Snyder Clayton , Husser Oliver , Boekstegers Peter , Hambrecht Rainer , Widder Julian , Hildick‐Smith David , De Carlo Marco , Wijngaard Peter , Deliargyris Efthymios , Bernstein Debra , Baber Usman , Mehran Roxana , Anthopoulos Prodromos , Dangas George ,   for the BRAVO‐3 Investigators
Published: May 2017

AbstractBackgroundPrior studies have suggested that patients with atrial fibrillation (AF) undergoing transcatheter aortic valve replacement (TAVR) are at higher risk for adverse cardiovascular events. Whether procedural bivalirudin compared with unfractionated heparin (UFH) has a beneficial effect on early outcomes in these patients is unknown. We examined for the effect of baseline or new‐onset AF within 30 days of TAVR and explored for the effect of bivalirudin versus UFH by AF status, on 30‐day outcomes from the BRAVO 3 trial.MethodsThe BRAVO‐3 trial multicenter randomized trial included 802 patients undergoing transfemoral TAVR randomized to bivalirudin or UFH. We compared AF and no‐AF groups and examined for 30‐day Bleeding Academic Research Consortium type ≥3b bleeding, major vascular complications and all ischemic endpoints. Adjusted outcomes were analyzed using logistic regression methods.ResultsOf the study population, 41.4% (n = 332) patients had baseline or new‐onset AF within 30 days of TAVR, whereas 58.6% (n = 470) had no AF. Patients with AF had greater prevalence of renal dysfunction, lower left ventricular ejection fraction, and higher euroSCORE I compared with their counterparts without AF. Among AF and no‐AF patients, there were no significant baseline differences between bivalirudin and UFH groups. At 30 days the incidence of death (6.0 vs. 4.5%, P = 0.324) and stroke (3.9 vs. 2.6%, P = 0.274) was similar in AF vs. no‐AF patients. However, new‐onset AF (n = 38) was associated with significantly greater crude risk of 30‐day stroke compared with no AF (HR 4.49, 95% CI 1.37–14.67). Regardless of AF status, there were no differences in 30‐day death (P‐int = 0.652) or stroke (P‐int = 0.066) by anticoagulation type.ConclusionsPrior or new‐onset AF is noted in more than one‐third of patients undergoing transfemoral TAVR. Despite greater baseline comorbidities than non‐AF patients, AF was not associated with significantly higher risk of adjusted 30‐day outcomes. In the BRAVO 3 trial, early outcomes were similar regardless of anticoagulant strategy in each group.