bluuebunny/crossref_metadata_2025_split huggingface dataset:
Inverse Sampling for McNemar's Test
Authors: Von Tress Mark 
Published: December 2016

Inverse sampling for McNemars test is studied. Sampling is conducted until a pre-specified number of discordant pairs is observed instead of sampling until a pre-specified total number of pairs is observed. The joint likelihood is decomposed into a product of a negative binomial distribution for the number of pairs required to observe r discordant pairs, a binomial distribution for the number of successes in the concordant observations, and a binomial distribution for the number of successes in the discordant observations. Since inference in this problem is based on the discordant observations, inverse sampling controls the type II error when small numbers of discordant observations are observed and the exact binomial test is required. The control results from fixing the sample size for the exact binomial test. Standard sampling instead lets the sample size for the exact binomial test vary and then performs the test conditionally on the observed number of discordant pairs.
Diversity of weed communities in soybean [Glycine max (L.)] crop growing under direct sowing depending on cover crops and different herbicide doses
Authors: Harasim Elżbieta , Kwiatkowski Cezary Andrzej , Haliniarz Małgorzata , Harasim Paweł , Gocół Magdalena 
Published: December 2016

Despite being harmful for agricultural production, weeds are an essential component of biodiversity in agricultural landscapes. A field study was conducted during the period 2007–2009 on grey-brown podzolic soil (sandy), designated as PWsp, with the granulometric composition of silt and classified Class 2 in agricultural land suitability. The study evaluated the structure of weed communities based on selected indicators of diversity of a soybean crop grown under no-tillage with mulch from winter rye, winter oilseed rape, and white mustard as well as using herbicide rates reduced by 25% and 50% in relation to the standard rate (2 L ha<sup>−1</sup>). The studied factors were as follows: (i) mulch plant species and mulch management method; (ii) rates of the foliar herbicide Basagran 600 SL (a.i. bentazon; 600 g L<sup>−1</sup>). The results of this study confirm that no-tillage with mulch significantly changes the diversity of weed flora in a soybean crop. Among the mulches used, the mowed rye and winter oilseed rape in particular increased the values of the general diversity (<em>H</em>'), species richness (<em>d</em>), and evenness (<em>J</em>') indices relative to the control treatment. On the other hand, the study found a strong decrease in the value of the dominance index (<em>c</em>). Reduced herbicide rates modified only the species richness index, in the case of which the 75% rate resulted in its significantly higher values compared to the full rate.
Survey Evaluating the Practice of Children's Hospitals Having Pharmacist Collaborative Drug Therapy Management Protocols
Authors: Welsh Chelsea , Miah Rukshana , Girotto Jennifer 
Published: December 2016

OBJECTIVES: The purpose of this study is to determine how frequently children's hospitals in the United States are using pharmacist-physician collaborative drug therapy management (CDTM), and to characterize their use in this population.
METHODS: A phone survey was created to collect data regarding the use of pharmacist-physician CDTM at children's hospitals. Children's hospitals were called between February 2014 and April 2014. Data were collected from either a clinical pharmacist or pharmacy director. Pharmacists were asked to answer questions regarding hospital demographics as well as to what extent and for which medications they use CDTM. Differences between types of hospitals were evaluated using Fisher exact test.
RESULTS: A total of 171 children's hospitals were identified; 51.5% hospitals (n = 88) completed the survey. Of the 88 hospitals that completed the survey, 32 (31.7%) had some level of CDTM in place. Of the 28 children's hospitals with CDTM in place that completed the survey, all allowed pharmacists to modify doses and monitor therapy, and 75% provided pharmacists with the ability to initiate the first dose. The specific medications that were included in the CDTM protocols in children's hospitals included vancomycin (n = 23), aminoglycosides (n = 22), anticoagulation medications (n = 7), and total parenteral nutrition (n = 3). Training was required for pharmacists to participate in CDTM protocols at most hospitals (n = 26). Lack of support from medical staff was the most common perceived barrier. No differences were identified between types of children's hospitals.
CONCLUSION: CDTM protocols are practiced in about one third of the children's hospitals. Pharmacists commonly initiate, monitor, and modify therapies as part of these protocols. The most frequently included medications were vancomycin and aminoglycosides.
Molecular phylogenetics, seed morphometrics, chromosome number evolution and systematics of EuropeanElatineL. (Elatinaceae) species
Authors: Sramkó Gábor , Molnár V. Attila , Tóth János Pál , Laczkó Levente , Kalinka Anna , Horváth Orsolya , Skuza Lidia , Lukács Balázs András , Popiela Agnieszka 
Published: December 2016

The genusElatinecontainsca25 species, all of which are small, herbaceous annuals distributed in ephemeral waters on both hemispheres. However, due to a high degree of morphological variability (as a consequence of their amphibious life-style), the taxonomy of this genus remains controversial. Thus, to fill this gap in knowledge, we present a detailed molecular phylogenetic study of this genus based on nuclear (rITS) and plastid (accD-psaI,psbJ-petA,ycf6-psbM-trnD) sequences using 27 samples from 13 species. On the basis of this phylogenetic analysis, we provide a solid phylogenetic background for the modern taxonomy of the European members of the genus. Traditionally accepted sections of this tree (i.e., CryptaandElatinella) were found to be monophyletic; onlyE. borchoni—found to be a basal member of the genus—has to be excluded from the latter lineage to achieve monophyly. A number of taxonomic conclusions can also be drawn:E. hexandra, a high-ploid species, is most likely a stabilised hybrid between the main sections;E. campylospermamerits full species status based on both molecular and morphological evidence;E. gussoneiis a more widespread and genetically diverse species with two main lineages; and the presence of the AsianE. ambiguain the European flora is questionable. The main lineages recovered in this analysis are also supported by a number of synapomorphic morphological characters as well as uniform chromosome counts. Based on all the evidence presented here, two new subsections withinElatinellaare described: subsectionHydropiperaconsisting of the temperate species of the section, and subsectionMacropodaeincluding the Mediterranean species of the section.
Cretaceous origin of dogwoods: an anatomically preservedCornus(Cornaceae) fruit from the Campanian of Vancouver Island
Authors: Atkinson Brian A. , Stockey Ruth A. , Rothwell Gar W. 
Published: December 2016

BackgroundCornaceae consists of 58 species, all within the genusCornus. The Cenozoic record ofCornusis extensive and well documented. Molecular divergence-time studies suggest that crown-groupCornusmay have originated by the Late Cretaceous. However, there has been no formal report ofCornusfrom Cretaceous deposits. Here, we characterize a permineralized fossil fruit assignable toCornussubg.Cornusfrom the Upper Cretaceous (Campanian) Shelter Point locality of Vancouver Island, British Columbia, Canada.MethodsSerial sections of the specimen were made using the cellulose acetate peel technique. Peels were mounted onto microscope slides and studied by light microscopy.ResultsThe fossil fruit consists of a tri-locular woody endocarp with dorsal germination valves. The locules are sub-triangular to ellipsoidal in transverse section and are separated by thin septa. Endocarp tissue consists of elongated and isodiametric sclereids and secretory cavities. Internal vascular tissue was not observed, but is interpreted to have been located along the outer periphery of the septa for some length, common in many cornalean taxa. There is one seed in each locule, one of which was found to have endosperm and a dicotyledonous embryo.DiscussionWoody endocarps with germination valves, without central vascular bundles, and with one seed per locule are characteristic of several families within the order Cornales. The interpreted vascular pattern and presence of secretory cavities indicates that the fossil fruit is assignable toCornussubg.Cornus. Comparative analysis suggests that the fossil is most similar toCornus piggae, a species described from the Paleocene of North Dakota. This fossil is the first evidence of crown-group Cornaceae from the Cretaceous and sheds light on both the plesiomorphic fruit characters and the timing of the initial diversification of the family and basal asterid lineage, Cornales.
Floral development and vascularization help to explain merism evolution inPaepalanthus(Eriocaulaceae, Poales)
Authors: Silva Arthur de Lima , Trovó Marcelo , Coan Alessandra Ike 
Published: December 2016

BackgroundFlowers in Eriocaulaceae, a monocot family that is highly diversified in Brazil, are generally trimerous, but dimerous flowers occur inPaepalanthusand a few other genera. The floral merism in an evolutionary context, however, is unclear.Paepalanthusencompasses significant morphological variation leading to a still unresolved infrageneric classification. Ontogenetic comparative studies of infrageneric groups inPaepalanthusand in Eriocaulaceae are lacking, albeit necessary to establish evolution of characters such as floral merism and their role as putative synapomorphies.MethodsWe studied the floral development and vascularization of eight species ofPaepalanthusthat belong to distinct clades in which dimery occurs, using light and scanning electron microscopies.ResultsFloral ontogeny in dimerousPaepalanthusshows lateral sepals emerging simultaneously and late-developing petals. The outer whorl of stamens is absent in all flowers examined here. The inner whorl of stamens becomes functional in staminate flowers and is reduced to staminodes in the pistillate ones. In pistillate flowers, vascular bundles reach the staminodes. Ovary vascularization shows ventral bundles in a commissural position reaching the synascidiate portion of the carpels. Three gynoecial patterns are described for the studied species: (1) gynoecium with a short style, two nectariferous branches and two long stigmatic branches, in most species; (2) gynoecium with a long style, two nectariferous branches and two short stigmatic branches, inP. echinoides; and (3) gynoecium with long style, absent nectariferous branches and two short stigmatic branches, inP. scleranthus.DiscussionFloral development of the studied species corroborates the hypothesis that the sepals of dimerous flowers ofPaepalanthuscorrespond to the lateral sepals of trimerous flowers. The position and vascularization of floral parts also show that, during dimery evolution inPaepalanthus, a flower sector comprising the adaxial median sepal, a lateral petal, a lateral stamen and the adaxial median carpel was lost. In the staminate flower, the outer whorl of staminodes, previously reported by different authors, is correctly described as the apical portion of the petals and the pistillodes are reinterpreted as carpellodes. The occurrence of fused stigmatic branches and protected nectariferous carpellodes substantiates a close relationship betweenP.sect.ConodiscusandP.subg.Thelxinoë. Free stigmatic branches and exposed carpellodes substantiate a close relationship betweenP. sect.Diphyomene,P. sect.EriocaulopsisandP. ser.Dimeri. Furthermore, the loss of nectariferous branches may have occurred later than the fusion of stigmatic branches in the clade that groupsP. subg.ThelxinoëandP. sect.Conodiscus.
Gas Chromatography in Screening of Chemicals Related to the Chemical Weapons Convention
Authors: Kostiainen Olli 
Published: December 2016

AbstractVarious gas chromatographic methods, which are useful for the screening of chemical weapons convention (CWC)‐related chemicals, are described in this article. The choice of columns, detectors, and injection techniques, crucial to the optimization of gas chromatography (GC) as a routine screening tool, is discussed. In addition, various screening and identification methods are described. The use of retention indices (RI) method allowing the identification without the need for an authentic chemical is described in detail. RIs are used as identification method also together with electron impact mass spectrometry (EIMS) in on‐site analysis method established by Organization for Prohibition of Chemical Weapons (OPCW).
Nucleic Acid Structural Energetics
Authors: Vieregg Jeffrey R. 
Published: December 2016

AbstractNucleic acids perform many functions essential for life, and exhibit a correspondingly diverse array of structures. This article provides an overview of nucleic acid structure, as well as the forces that govern its formation. The current state of knowledge of nucleic acid thermodynamics is discussed, as well as techniques for predicting and designing structures of interest. Experimental methods used to determine the structure of nucleic acids and the thermodynamics of their reactions are also surveyed.
Quantitative Structure‐Activity Relationships and Computational Methods in Drug Discovery
Authors: Balaban Alexandru T. 
Published: December 2016

AbstractAmong the various methods for finding new medicinal drugs, the approach using molecular descriptors for quantitative structure–activity relationships (QSAR) is described in more detail, after a brief historical introduction. Starting with Corwin Hansch's observation that for many organic compounds their biological activities can often be correlated with their lipophilicity (octanol–water partition coefficients), which in turn may be approximated by computational approaches, chemical structures proved to be the early key to drug design. How can one encode discrete chemical structures into numerical values that may then be compared with biological activities that are measured by continuous scales? One well‐working tool uses topological indices (TIs) that are graph‐theoretical invariants associated with the hydrogen‐depleted constitutional formulas. Several examples are provided evidencing that this pathway proved to be successful. For three‐dimensional (3D) chemical structures, more sophisticated theoretical methods (such as CoMFA) had to be implemented. Nowadays, powerful synthetic and analytical methods involving combinatorial chemistry and high‐throughput screening on one hand, together with refined computational approaches, try to lower the cost of each new medicinal drug, which may reach one billion US dollars.
Field‐Flow Fractionation in Analysis of Polymers and Rubbers
Authors: Williams S. Kim Ratanathanawongs , Benincasa Maria‐Anna , Smith William C. , Oliver James D. 
Published: December 2016

Field‐flow fractionation (FFF) was conceived by J. Calvin Giddings in 1966 as a separation and characterization method for macromolecules, colloids, and particulates. Similar to chromatography, sample migration is caused by differential interaction with a field acting along an axis orthogonal to that of the transport liquid. Unlike chromatography, where separation is achieved by solutes partitioning between mobile and stationary phases, separation in FFF arises from the distribution of sample components in fluid laminae flowing at different velocities in a single phase. The different flow velocities, described by a parabolic profile, arise from the high aspect ratio of the FFF channel. Different types of fields can be used in FFF as long as they interact with some physicochemical property of the sample. The FFF channel design makes it highly suited for analyses of fragile aggregates, high‐molecular‐weight polymers, and gels. In comparison with packed columns, shear rates in the channel and the probability of plugging the channel are low. The ability of thermal FFF to differentiate polymers and latexes of different bulk and surface composition is unique among currently used separation techniques. The FFF family of techniques can provide a great deal of information about the sample but an initial time investment is often required for method development.In this article, the fundamental mechanism of FFF is shown at play in the separation and characterization of polymers and rubbers by the two techniques par excellence in this field: flow FFF and thermal FFF.
Sample Preparation for
X
‐Ray Fluorescence Analysis
Authors: Marguí Eva , Queralt Ignasi , Van Grieken Rene 
Published: December 2016

Abstract
This article presents a complete review of different sample preparation methodologies before analysis by X‐ray spectrometry. This article presents the basics of classical preparation for X‐ray fluorescence (XRF) analysis and new methods of preparation, with emphasis on recent applications.
Saturation Transfer Difference Spectroscopy
Authors: Gairí Margarida , Feliz Miguel , García Jesús 
Published: December 2016

AbstractSaturation transfer difference (STD) NMR is a powerful technique for detection and characterization of reversible binding interactions between small molecule ligands and macromolecular receptors. The STD methodology is broadly used for detection of protein–ligand interactions and for fragment screening and has also been successfully applied to complex systems such as reconstituted membranes, intact cells, platelets, or whole viruses. The basic STD experiment relies on1H NMR (Nuclear Magnetic Resonance) difference spectroscopy. Saturation transferred from the receptor to bound ligands in the complex is measured by observing the NMR signal of the ligand. The corresponding STD NMR spectrum reveals only signals of binding compounds. Quantitative analysis of the STD effects allows the identification of the binding epitope of a ligand when bound to its receptor and can also provide affinity information. Water–ligand observed gradient spectroscopy (WaterLOGSY) is a related method for the characterization of transient ligand–receptor interactions, but unlike STD, in WaterLOGSY experiments, the bulk water is the origin of the perturbation transfer.
Sensitive Chemical Detection with Distributed Feedback Interband Cascade Lasers
Authors: Vurgaftman I. , Geiser P. , Bewley W. W. , Merritt C. D. , Canedy C. L. , Warren M. V. , Kim M. , Kim C. S. , Meyer J. R. 
Published: December 2016

Abstract
The hybrid architecture of the interband cascade laser (ICL) combines the interband active transitions of a conventional diode laser with the multiple active stages of a quantum cascade laser (QCL). An advantage for spectroscopic applications is its much lower power dissipation than other sources such as the QCL at mid‐infrared (IR) wavelengths spanning 3–6 µm. Distributed‐feedback (DFB) ICLs emitting in a single spectral mode have been developed using both top‐grating and lateral‐grating geometries. The top‐grating approach has produced up to 28 mW of continuous wave (CW) power in a single spectral mode. Lateral‐grating DFB ICLs have produced single‐mode output throughout the 3–6 µm spectral region, often operating with drive powers <100 mW. Some of the most important extractive and in situ measurement techniques for laser‐based gas sensing are described, including direct absorption spectroscopy (DAS), wavelength modulation spectroscopy (WMS), quartz enhanced photo‐acoustic spectroscopy (QEPAS), and off‐axis integrated cavity output spectroscopy (OA‐ICOS). We review a number of applications of ICL‐based systems to the sensing of methane, ethane, formaldehyde, and sulfur dioxide.
Mass Spectrometry Analysis of Peptides in Environment
Authors: Tang Yanan , Li Feng , Huang Guang , Li Xing‐Fang 
Published: December 2016

AbstractPeptides are essential components of all living organisms, widely present in the environment, and play important roles in diverse environmental processes. Some peptides are a cause of concern for ecosystems and for environmental health, including drinking water safety. Peptides may impact the environment through their involvement in nitrogen cycles, cloud formation, and many other biogeochemistry processes. Some environmental peptides (e.g. microcystins, MCs) originating from microorganisms are highly toxic, and thus their distribution and transformation in the environment are of great health concern. Many analytical tools have been developed to characterize environmental peptides. The analysis of peptides in environmental samples is challenging, however, owing to their high chemical and structural diversities, low abundance, and complex sample matrices. Mass spectrometry (MS) has become one of the most attractive techniques for environmental peptide analysis, because of its high sensitivity and selectivity. In this article, we summarize the recent advances in MS methods for the analysis of peptides in environmental samples. Particularly, we discuss the analytical developments for the analysis of peptides in water, atmospheric aerosols, and soils, as each sample type represents a distinct analytical challenge.
Synthesis and characterization of dandelion‐like
ZnS
with high antibacterial activity
Authors: Ming Fangwang , Wang Zhoucheng 
Published: December 2016

Nanostructure materials have been the subject of widespread research over the past couple of decades. Recent experiments on nanostructure materials have revealed a host of novel physical and chemical properties, which are significantly different from that of the conventional materials. Many workers are devoted to developing new synthesis methods to fabricate materials with novel nanostructures. ZnS, as a vital wide‐gap semiconductor, has been extensively investigated due to its outstanding photoelectric effect, high catalytic activity and wide applications. Recently, ZnS nanomaterials with various geometrical shapes such as 1D wire, rod, or 2D sheet, belt and so on, have been prepared using variety of physical or chemical methods [1‐2]. Dandelion‐like ZnS materials assembled by 2D nanosheets or 1D nanowires are of great interest as they provide extremely large specific surface areas and unique porous microstructure [3]. However, research into the 3D nanostructure ZnS assembled by 1D ZnS nanowires is still less dealt with. What's more, majority researchers were devoted to photoluminescence and photocatalytic, few of them pay enough attention to the antibacterial activity of ZnS.
Microbial contamination has become increasing difficult to control owing to the resistance offered by microbes against conventional antimicrobial agents. It is well‐know that inorganic nanomaterials, such as TiO2, AgPO3, ZnO, reveal high antibacterial activities [4‐5]. To date, only scant information about antibacterial ability of the ZnS has been recorded. In this work, dandelion‐like ZnS has been prepared via the method of facile one‐pot hydrothermal synthesis. The dandelion‐like ZnS was characterized by transmission electron microscope, scanning electron microscope, energy dispersive spectrometer and X‐ray diffraction. The results reveal that the surface topographies of the 3D dandelion‐like ZnS particles are actually assembled by plenty of interlaced 1D ZnS nanowires. The influence of reaction time, reaction temperature, Zn/S mole ratio and different zinc and sulfur sources to the dandelion‐like structure were investigated. The dandelion‐like ZnS exhibits superior ability in inhibiting the growth of Escherichia coli, which makes it promising candidate for biological materials. The large specific surface area, porous surface morphology and the releasing of the Zn2+ ions are considered probable causes for the high antibiotic activity of the dandelion‐like ZnS.