bluuebunny/crossref_metadata_2025 huggingface dataset:
A New Phenolic Constituent and a Cyanogenic Glycoside from Balanophora involucrata (Balanophoraceae)
Authors: She Gai‐Mei , Zhang Ying‐Jun , Yang Chong‐Ren
Published: June 2013

Balanophora involucrata Hook.f. & Thomson (Balanophoraceae) is a parasite plant often growing on the roots of leguminous plants. The whole herb has been used medicinally for the treatment of irregular menstruation, cough, hemoptysis, traumatic injury and bleeding, dizziness and gastralgia in Yunnan Province, China. The 2,2‐diphenyl‐2‐picrylhydrazyl (DPPH) assay on the 60% aq. acetone extract of the fresh whole plant of B. involucrata showed considerable radical‐scavenging activity (SC50 15.3 μg/ml). Further purification on the extract led to the isolation of one new phenolic glycoside, sieboldin‐3′‐ketocarboxylic acid (1), and one new cyanogenic glycoside, proacacipetalin 6′‐O‐β‐D‐glucopyranoside (2), together with 26 known compounds including three 4″‐O‐galloyl and 2″,3″‐O‐(S)‐hexahydroxydiphenoyl (HHDP) derivatives of dihydrochalcone glucosides, seven hydrolyzable tannins, and alkane glycosides. The cyanogenic compound isolated from the Balanophoraceae family for the first time might be a signal molecule between B. involucrata and its hosts. The free‐radical‐scavenging activity of the isolated compounds was also examined by DPPH assay.
Synthesis, Physicochemical Properties, and in vitro Antibacterial Screening of Palladium(II) Complexes Derived from Thiosemicarbazone
Authors: Azam Mohammad , Warad Ismail , Al‐Resayes Saud I. , Siddiqui M. Rafiq , Oves M.
Published: June 2013

A new series of PdII complexes derived from thiosemicarbazone has been synthesized. The synthesized PdII complexes have been characterized on the basis of elemental analyses, FT‐IR, 1H‐ and 13C‐NMR, UV/VIS, and thermal studies. A square‐planar geometry has been assigned around PdII ions on the basis of results obtained from UV/VIS studies. The thiosemicarbazone ligand and its PdII complexes have been screened against Gram‐positive (Bacillus subtilis and Staphylococcus aureus) and Gram‐negative (Escherichia coli and Pseudomonas aeruginosa) bacteria in vitro as growth‐inhibiting agents, and the results revealed significant antibacterial activities.
Ruthenium‐Catalyzed α‐(Hetero)Arylation of Saturated Cyclic Amines: Reaction Scope and Mechanism
Authors: Peschiulli Aldo , Smout Veerle , Storr Thomas E. , Mitchell Emily A. , Eliáš Zdeněk , Herrebout Wouter , Berthelot Didier , Meerpoel Lieven , Maes Bert U. W.
Published: June 2013

Transition‐metal‐catalyzed sp3 CH activation has emerged as a powerful approach to functionalize saturated cyclic amines. Our group recently disclosed a direct catalytic arylation reaction of piperidines at the α position to the nitrogen atom. 1‐(Pyridin‐2‐yl)piperidine could be smoothly α‐arylated if treated with an arylboronic ester in the presence of a catalytic amount of [Ru3(CO)12] and one equivalent of 3‐ethyl‐3‐pentanol. A systematic study on the substrate and reagent scope of this transformation is disclosed in this paper. The effect of substitution on both the piperidine ring and the arylboronic ester has been investigated. Smaller (pyrrolidine) and larger (azepane) saturated ring systems, as well as benzoannulated derivatives, were found to be compatible substrates with the α‐arylation protocol. The successful use of a variety of heteroarylboronic esters as coupling partners further proved the power of this direct functionalization method. Mechanistic studies have allowed for a better understanding of the catalytic cycle of this remarkable transformation featuring an unprecedented direct transmetalation on a RuIIH species.
Pyracene‐Linked Bis‐Imidazolylidene Complexes of Palladium and Some Catalytic Benefits Produced by Bimetallic Catalysts
Authors: Guisado‐Barrios Gregorio , Hiller Joanna , Peris Eduardo
Published: June 2013

Two new palladium complexes with a pyracene‐linked bis‐imidazolylidene (pyrabim) group have been obtained and fully characterized. The related monometallic analogues were obtained from the coordination of an acetanaphthene‐supported N‐heterocyclic carbene (NHC). The catalytic properties of all complexes were studied in the acylation of aryl halides with hydrocinnamaldehyde, and in the Suzuki–Miyaura coupling of aryl halides and aryl boronic acids. The results show that the presence of a second metal in the dimetallic complexes induces some benefits in the catalytic behavior of the complexes. This effect is more pronounced in the Suzuki–Miyaura coupling, for which the dimetallic complexes exhibit significantly higher activity than their monometallic counterparts.
Thermal Restructuring of Silica‐Grafted TiClx Species and Consequences for Epoxidation Catalysis
Authors: Mania Philipp , Verel René , Jenny Florian , Hammond Ceri , Hermans Ive
Published: June 2013

TiCl4 grafted to dehydrated silica is an industrially applied catalyst for the epoxidation of propylene. As with many heterogeneous catalysts, the precise nature of the surface species is not yet fully known, prohibiting reliable structure–activity correlations. In this study, the speciation and restructuring of site‐isolated TiIV Lewis acid centers was carefully investigated by using a variety of techniques. The initially formed SiOTiCl3 species were found to restructure upon heating through the transfer of Cl ligands to the silica surface, eventually leading to tripodal (SiO)3TiCl species. The superior activity and stability of such tripodal species is demonstrated for catalytic olefin epoxidation under continuous flow conditions.
Modulating Dye Aggregation by Incorporation into 1D‐MgAPO Nanochannels
Authors: Martínez‐Martínez Virginia , García Raquel , Gómez‐Hortigüela Luis , Pérez‐Pariente Joaquín , López‐Arbeloa Iñigo
Published: June 2013

The fluorescing dye Pyronine Y has been incorporated by crystallization inclusion into three different one‐dimensional microporous aluminophosphate host materials. A computer‐aided rational choice of the framework of the host material made it possible to modulate the aggregation state of the guest dye molecules. Undesirable H‐type dimers of Pyronine Y are included within the large channels of the AFI structure, which allow the inclusion of any of the aggregated species of the dye. Density functional theory (DFT) calculations show that H‐type aggregate formation is suppressed within the ATS framework. Experimental results indicate that red‐emissive J‐type aggregates are formed instead, offering a one‐directional, organized, multicolour emission system that is interesting for energy transport. Complete suppression of aggregation is achieved by the inclusion of Pyronine Y within the AEL‐type structure, due to its particular topology and channel dimensions This results in a highly fluorescent hybrid system with extraordinarily preferential alignment of the chromophores. Here, we report experimental evidence and modelling insights for how the “cage effect” of the nanochannels can tune the optical properties of the hybrid composite material by influencing the aggregation state of the dye.
Effect of Ester to Amide or N‐Methylamide Substitution on Bacterial Membrane Depolarization and Antibacterial Activity of Novel Cyclic Lipopeptides
Authors: Bionda Nina , Fleeman Renee M. , Shaw Lindsey N. , Cudic Predrag
Published: June 2013

Cyclic lipopeptides derived from the fusaricidin/LI‐F family of naturally occurring antibiotics represent particularly attractive candidates for the development of new antibacterial agents. In comparison with natural products, these derivatives may offer better stability under physiologically relevant conditions and lower nonspecific toxicity, while preserving their antibacterial activity. In this study we assessed the ability of cyclic lipodepsipeptide 1 and its analogues—amide 2, N‐methylamide 3, and linear peptide 4—to interact with the cytoplasmic membranes of selected Gram‐positive bacteria. We also investigated their bacteriostatic/bactericidal modes of action and in vivo potency by using a Galleria mellonella model of MRSA infection. Cyclic lipopeptides 1 and 2 depolarize the cytoplasmic membranes of Gram‐positive bacteria in a concentration‐dependent manner. The degree of membrane depolarization was influenced by the structural and physical properties of 1 and 2, with the more flexible and hydrophobic peptide 1 being most efficient. However, membrane depolarization does not correlate with bacterial cell lethality, suggesting that membrane‐targeting activity is not the main mode of action for this class of antibacterial peptides. Conversely, substitution of the depsipeptide bond in 1 with an N‐methylamide bond in 3, or its hydrolysis to peptide 4, lead to a complete loss of antibacterial activity and indicate that the conformation of cyclic lipopeptides plays a role in their antibacterial activities. Cyclic lipopeptides 1 and 2 are also capable of improving the survival of G. mellonella larvae infected with MRSA at varying efficiencies, reflecting their in vitro activities. Gaining more insight into the structure–activity relationship and mode of action of these cyclic lipopeptides may enable the development of new antibiotics of this class with improved antibacterial activity.
Epidermal growth factor receptor in lung cancer: The amazing interplay of molecular testing and cytopathology
Authors: Idowu Michael O.
Published: June 2013

Cytology is increasingly playing a vital role in epidermal growth factor receptor and other molecular testing. Familiarity by cytopathologists with preanalytic, analytic, and postanalytic quality issues to ensure accurate and reproducible test results is critical.
Software for simulating dichromatic perception of video streams
Authors: Luque María José , de Fez Dolores , Acevedo Pablo
Published: June 2013

We have designed a configurable stand‐alone Matlab‐based software to simulate dichromatic perception of video streams. The algorithm used is an extension for video streams of the “corresponding pair algorithm” by Capilla and coworkers for simulation of dichromatic perception of images. The software allows the user to upload a video sequence and to process it using different dichromatic color vision models and viewing conditions. The output video may be generated in different spatial and temporal resolutions and file formats. The functions for Matlab environment and a stand‐alone application may be downloaded from the Repository of the University of Alicante. © 2013 Wiley Periodicals, Inc. Col Res Appl, 39, 486–491, 2014
Spectral deconvolution applications for colorimetry
Authors: Gardner James L.
Published: June 2013

Deconvolution based on the Richardson‐Lucy algorithm, recently suggested to be an effective method of reducing instrumental broadening effects in radiometric spectra, is applied to two examples relevant to colorimetry. The first is chromaticity measurement of light‐emitting diodes, where results are compared with more traditional weighted‐mean bandwidth correction. The second is accurate calibration of the wavelength scale of a medium‐resolution array spectrometer. Deconvolution is shown to be an effective tool in both cases. © 2013 Wiley Periodicals, Inc. Col Res Appl, 39, 430–435, 2014
Deep‐black‐coloring effect of fabrics made of noncircular cross‐section polyester filaments
Authors: Liu Xiaosong , Ning Yujing , Wang Fumei
Published: June 2013

The effects of noncircular cross‐section (NCCS) poly ethylene terephthalate (PET) filaments and its shape factor on deep‐black‐coloring of dyed fabrics were investigated by comparing to that of the circular cross‐section PET ones. Indexes such as K/S, L* and Integ values were used for characterizing the deep‐black‐coloring effect on fabrics. The results indicated that fabrics made with NCCS PET filaments exhibited good deep‐black‐coloring effects. The calculated shape factor of the NCCS PET fiber had a significant correlation with the degree of deep‐black‐coloring exhibited by the fabric made from the fibers. A qualitative optical analysis of the NCCS PET fibers was carried out to explain the causes of the deep‐coloring of the NCCS fibers. This analysis implies that the contours of the NCCS fiber composed of surfaces with varied curvature increase the scattering of light by lowering specular reflection and increasing interior reflected and refracted light. This, in turn, strengthens the deep‐coloring effect. © 2013 Wiley Periodicals, Inc. Col Res Appl, 39, 511–518, 2014
The Registry Index: A Quantitative Measure of Materials′ Interfacial Commensurability
Authors: Hod Oded
Published: June 2013

Nanoscale tribology is an active and rapidly developing area of research that poses fundamental scientific questions that, if answered, may offer great technological potential in the fields of friction, wear, and lubrication. When considering nanoscale material′s junctions, surface commensurability often plays a crucial rule in dictating the tribological properties of the interface. This Review surveys recent theoretical work in this area, with the aim of providing a quantitative measure of the crystal lattice commensurability at interfaces between rigid materials and relating it to the tribological properties of the junction. By considering a variety of hexagonal layered materials, including graphene, hexagonal boron nitride, and molybdenum disulfide, we show how a simple geometrical parameter, termed the “registry index” (RI), can capture the interlayer sliding energy landscape as calculated using advanced electronic structure methods. The predictive power of this method is further demonstrated by showing how the RI is able to fully reproduce the experimentally measured frictional behavior of a graphene nanoflake sliding over a graphite surface. It is shown that generalizations towards heterogeneous junctions and non‐planar structures (e.g., nanotubes) provide a route for designing nanoscale systems with unique tribological properties, such as robust superlubricity. Future extension of this method towards nonparallel interfaces, bulk‐material junctions, molecular surface diffusion barriers, and dynamic simulations are discussed.
Structural Transformation of Bovine Serum Albumin Induced by Dimethyl Sulfoxide and Probed by Fluorescence Correlation Spectroscopy and Additional Methods
Authors: Pabbathi Ashok , Patra Satyajit , Samanta Anunay
Published: June 2013

Determining the structure of a protein and its transformation under different conditions is key to understanding its activity. The structural stability and activity of proteins in aqueous–organic solvent mixtures, which is an intriguing topic of research in biochemistry, is dependent on the nature of the protein and the properties of the medium. Herein, the effect of a commonly used cosolvent, dimethyl sulfoxide (DMSO), on the structure and conformational dynamics of bovine serum albumin (BSA) protein is studied by fluorescence correlation spectroscopy (FCS) measurements on fluorescein isothiocyanate (FITC)‐labeled BSA. The FCS study reveals a change of the hydrodynamic radius of BSA from 3.7 nm in the native state to 7.0 nm in the presence of 40 % DMSO, which suggests complete unfolding of the protein under these conditions. Fluorescence self‐quenching of FITC has been exploited to understand the conformational dynamics of BSA. The time constant of the conformational dynamics of BSA is found to change from 35 μs in its native state to 50 μs as the protein unfolds with increasing DMSO concentration. The FCS results are corroborated by the near‐UV circular dichroism spectra of the protein, which suggest a loss of its tertiary structure with increasing concentration of DMSO. The intrinsic fluorescence of BSA and the fluorescence response of 1‐anilinonaphthalene‐8‐sulfonic acid, used as a probe molecule, provide information that is consistent with the FCS measurements, except that aggregation of BSA is observed in the presence of 40 % DMSO in the ensemble measurements.
Type I interferons contribute to experimental cerebral malaria development in response to sporozoite or blood‐stage Plasmodium bergheiANKA
Authors: Palomo Jennifer , Fauconnier Mathilde , Coquard Laurie , Gilles Maïlys , Meme Sandra , Szeremeta Frederic , Fick Lizette , Franetich Jean‐François , Jacobs Muazzam , Togbe Dieudonnée , Beloeil Jean‐Claude , Mazier Dominique , Ryffel Bernhard , Quesniaux Valerie F.J.
Published: June 2013

Cerebral malaria is a severe complication of Plasmodium falciparum infection. Although T‐cell activation and type II IFN‐γ are required for Plasmodium berghei ANKA (PbA)‐induced murine experimental cerebral malaria (ECM), the role of type I IFN‐α/β in ECM development remains unclear. Here, we address the role of the IFN‐α/β pathway in ECM devel‐opment in response to hepatic or blood‐stage PbA infection, using mice deficient for types I or II IFN receptors. While IFN‐γR1−/− mice were fully resistant, IFNAR1−/− mice showed delayed and partial protection to ECM after PbA infection. ECM resistance in IFN‐γR1−/− mice correlated with unaltered cerebral microcirculation and absence of ischemia, while WT and IFNAR1−/− mice developed distinct microvascular pathologies. ECM resistance appeared to be independent of parasitemia. Instead, key mediators of ECM were attenuated in the absence of IFNAR1, including PbA‐induced brain sequestration of CXCR3+‐activated CD8+ T cells. This was associated with reduced expression of Granzyme B, IFN‐γ, IL‐12Rβ2, and T‐cell‐attracting chemokines CXCL9 and CXCL10 in IFNAR1−/− mice, more so in the absence of IFN‐γR1. Therefore, the type I IFN‐α/β receptor pathway contributes to brain T‐cell responses and microvascular pathology, although it is not as essential as IFN‐γ for the development of cerebral malaria upon hepatic or blood‐stage PbA infection.
An Electrochemical and Raman Spectroscopy Study of the Surface Behaviour of Mononuclear Ruthenium and Osmium Polypyridyl Complexes Based on Pyridyl‐ and Thiophene‐Based Linkers
Authors: Halpin Yvonne , Logtenberg Hella , Cleary Laura , Schenk Stephan , Schulz Martin , Draksharapu Apparao , Browne Wesley R. , Vos Johannes G.
Published: June 2013

The utility of a thiophene anchor unit as an alternative for thiols in the immobilisation of ruthenium and osmium complexes on gold and platinum is examined with special attention focused on the relative contributions of physi‐ and chemisorption of the complexes and the chemical stability of the thiophene anchoring unit. The redox and spectroscopic properties of the ruthenium(II) and osmium(II) complexes are described in solution and the effect of surface immobilisation examined through a combined electrochemical and surface‐enhanced Raman spectroscopic study. A key finding is that although the thiophene unit is involved in surface anchoring it also undergoes chemical reactions with the gold surface as demonstrated by Raman spectroscopy.
2,2′‐Bis‐azonia‐Cope Rearrangements of 2,3‐Homo‐6H‐1,4‐diazepinium Dications
Authors: Quast Helmut , Seidenspinner Hubert‐Matthias , Stawitz Josef Walter
Published: June 2013

The condensation of cis‐1,2‐cyclopropanediamines with 1,3‐dicarbonyl compounds and 1,5‐diazapentadienium salts afforded 2,3‐homo‐1H‐1,4‐diazepinium salts, which were protonated by very strong acids to yield 2,3‐homo‐6H‐1,4‐diazepinium dications. As measures of basicity, the mole fractions of water in trifluoromethanesulfonic acid at half‐protonation were determined for 2,3‐homo‐ and 2,3‐dihydro‐1H‐1,4‐diazepinium salts. 2,3‐Homo‐6H‐1,4‐diazepinium dications underwent 2,2′‐bis‐azonia‐Cope rearrangements, as can be inferred from the product structures, or H/D exchange involving the methylene group of the cyclopropane rings. Apparently, in the Cope rearrangement, this group is interchanged with the methylene group in the seven‐membered ring (C‐6), which is susceptible to H/D exchange in strong deuteriated acids. Rapid, degenerate, as well as very slow, strongly biased Cope rearrangements have been uncovered in this way. 1H NMR spectra, recorded at elevated temperatures for a solution of the parent dication in trifluoromethanesulfonic acid, reveal broadening of the interchanging 2‐H, 3‐H and 5‐H, 7‐H signals and eventually the onset of their coalescence. Surprisingly, the estimated free enthalpy of activation is higher (ΔG‡110 °C ≈ 73 ± 2 kJ/mol) than that of 3,4‐homotropilidene (ΔG‡110 °C = 61 kJ/mol), not lower, as would be expected on the basis of the well‐known charge‐acceleration of Cope rearrangements.
Copper‐Catalyzed Synthesis of a Highly Hydroxy‐Functionalized Benzo[e]indolizidine by Intramolecular N‐Arylation
Authors: Cordero Franca M. , Khairnar Bhushan B. , Bonanno Paola , Martinelli Andrea , Brandi Alberto
Published: June 2013

The enantiopure (2S,3S,3aS,5S)‐1,2,3,3a,4,5‐hexahydropyrrolo[1,2‐a]quinoline‐2,3,5‐triol (2,3,5‐trihydroxybenzo[e]indolizidine) framework has been synthesized by a straightforward strategy consisting of 1,3‐dipolar cycloaddition of a pyrroline N‐oxide to 2‐bromostyrene followed by isoxazolidine N–O bond reduction and cyclization by copper‐catalyzed nucleophilic aromatic substitution of the intermediate pyrrolidine.
Bifunctional Squaramide‐Catalyzed One‐Pot Sequential Michael Addition/Dearomative Bromination: Convenient Access to Optically Active Brominated Pyrazol‐5(4H)‐ones with Adjacent Quaternary and Tertiary Stereocenters
Authors: Wang Huanxia , Wang Youming , Song Haibin , Zhou Zhenghong , Tang Chuchi
Published: June 2013

The organocatalytic asymmetric, one‐pot, sequential Michael addition/dearomative bromination reaction of pyrazol‐5‐ones to nitro olefins and N‐bromosuccinimide (NBS) has been developed. Under the catalysis of a chiral bifunctional squaramide, a wide variety of chiral brominated pyrazol‐5‐one derivatives with contiguous quaternary and tertiary stereocenters was obtained in high yields (up to >99 %) with good to excellent diastereoselectivities (62:38–99:1 dr) and uniformly high levels of enantioselectivity (92 to >99 % ee). This experimentally simple process facilitates access to various enantioenriched, multiply substituted pyrazolin‐5‐one derivatives, potential biologically active molecules, starting from readily available starting materials.
Retracted: Copper‐Catalyzed Synthesis of Substituted Isoindolo[2,1‐a]quinoxalines and Isoindolo[2,1‐a]quinoxalin‐6(5H)‐ones
Authors: Biswas Subhasish , Batra Sanjay
Published: June 2013

An operationally simple and efficient cascade strategy has been developed to access substituted isoindolo[2,1‐a]quinoxalines through a one‐step copper‐catalyzed C–N coupling reaction between substituted 2H‐isoindole‐1‐carbaldehydes and substituted 2‐halophenylamines. Another straightforward procedure is described to prepare substituted isoindolo[2,1‐a]quinoxalin‐6(5H)‐ones, which involved the transformation of a substituted 2H‐isoindole‐1‐carboxylic acid into an acid chloride followed by a coupling reaction with a substituted 2‐iodophenylamine and a copper‐catalyzed C–N coupling reaction.
Catalytic Asymmetric Allylic Alkylation of 3‐Arylated Piperidin‐2‐ones
Authors: Michon Christophe , Béthegnies Aurélien , Capet Frédéric , Roussel Pascal , de Filippis Arnault , Gomez‐Pardo Domingo , Cossy Janine , Agbossou‐Niedercorn Francine
Published: June 2013

The preparation of optically active lactams from 3‐aryl‐2‐piperidinone is reported. The quaternary carbon stereocentres were formed using palladium‐catalysed asymmetric allylic alkylation reactions. The resulting enantioenriched compounds are useful intermediates for the synthesis and development of neurokinin antagonists.
Appropriate viscous damping for nonlinear time‐history analysis of base‐isolated reinforced concrete buildings
Authors: Pant Deepak R. , Wijeyewickrema Anil C. , ElGawady Mohamed A.
Published: June 2013

There is no consensus at the present time regarding an appropriate approach to model viscous damping in nonlinear time‐history analysis of base‐isolated buildings because of uncertainties associated with quantification of energy dissipation. Therefore, in this study, the effects of modeling viscous damping on the response of base‐isolated reinforced concrete buildings subjected to earthquake ground motions are investigated. The test results of a reduced‐scale three‐story building previously tested on a shaking table are compared with three‐dimensional finite element simulation results. The study is primarily focused on nonlinear direct‐integration time‐history analysis, where many different approaches of modeling viscous damping, developed within the framework of Rayleigh damping are considered. Nonlinear direct‐integration time‐history analysis results reveal that the damping ratio as well as the approach used to model damping has significant effects on the response, and quite importantly, a damping ratio of 1% is more appropriate in simulating the response than a damping ratio of 5%. It is shown that stiffness‐proportional damping, where the coefficient multiplying the stiffness matrix is calculated from the frequency of the base‐isolated building with the post‐elastic stiffness of the isolation system, provides reasonable estimates of the peak response indicators, in addition to being able to capture the frequency content of the response very well. Furthermore, nonlinear modal time‐history analyses using constant as well as frequency‐dependent modal damping are also performed for comparison purposes. It was found that for nonlinear modal time‐history analysis, frequency‐dependent damping, where zero damping is assigned to the frequencies below the fundamental frequency of the superstructure for a fixed‐base condition and 5% damping is assigned to all other frequencies, is more appropriate, than 5% constant damping. Copyright © 2013 John Wiley & Sons, Ltd.
Development and validation of a quantitative structure–activity relationship for chronic narcosis to fish
Authors: Claeys Lieve , Iaccino Federica , Janssen Colin R. , Van Sprang Patrick , Verdonck Frederik
Published: June 2013

Vertebrate testing under the European Union's regulation on Registration, Evaluation, Authorisation and Restriction of Chemical substances (REACH) is discouraged, and the use of alternative nontesting approaches such as quantitative structure–activity relationships (QSARs) is encouraged. However, robust QSARs predicting chronic ecotoxicity of organic compounds to fish are not available. The Ecological Structure Activity Relationships (ECOSAR) Class Program is a computerized predictive system that estimates the acute and chronic toxicity of organic compounds for several chemical classes based on their log octanol–water partition coefficient (KOW). For those chemical classes for which chronic training data sets are lacking, acute to chronic ratios are used to predict chronic toxicity to aquatic organisms. Although ECOSAR reaches a high score against the Organisation for Economic Co-operation and Development (OECD) principles for QSAR validation, the chronic QSARs in ECOSAR are not fully compliant with OECD criteria in the framework of REACH or CLP (classification, labeling, and packaging) regulation. The objective of the present study was to develop a chronic ecotoxicity QSAR for fish for compounds acting via nonpolar and polar narcosis. These QSARs were built using a database of quality screened toxicity values, considering only chronic exposure durations and relevant end points. After statistical multivariate diagnostic analysis, literature-based, mechanistically relevant descriptors were selected to develop a multivariate regression model. Finally, these QSARs were tested for their acceptance for regulatory purposes and were found to be compliant with the OECD principles for the validation of a QSAR. Environ Toxicol Chem 2013;32:2217–2225. © 2013 SETAC
Effects of the Bow on Social Organization in Western North America
Authors: Bettinger Robert L.
Published: June 2013

The bow more than doubled, likely tripled, the success of individuals bent on killing animal or human targets (Box ). The advent of this revolutionary technology generated different responses in western North America depending on subsistence and sociopolitical organization at the time of its arrival, roughly 2300 ‐ 1300 B.P. Its effect was substantial in California and the Great Basin, particularly on group size, which in many places diminished as a consequence of the bow's reliability. The counter‐intuitive result was to increase within group‐relatedness enough to encourage intensification of plant resources, previously considered too costly. The bow rose to greatest direct economic importance with the arrival of the horse, and was put to most effective use by former Great Basin groups who maintained the family band system that had developed around intensive Great Basin plant procurement, adapting the same organization to a lifestyle centered on the equestrian pursuit of buffalo and warfare.
Introduction: Social Complexity and the Bow in the Prehistoric North American Record
Authors: Bingham Paul M. , Souza Joanne , Blitz John H.
Published: June 2013

This Special Issue of Evolutionary Anthropology grew out of a symposium at the 2012 Society for American Archaeology (SAA) meeting in Memphis, Tennessee (April 18–22). The goal of the symposium was to explore what we will argue is one of the most important and promising opportunities in the global archeological enterprise. In late prehistoric North America, the initial rise of cultures of strikingly enhanced complexity and the local introduction of a novel weapon technology, the bow, apparently correlate intimately in a diverse set of independent cases across the continent, as originally pointed out by Blitz. If this empirical relationship ultimately proves robust, it gives us an unprecedented opportunity to evaluate hypotheses for the causal processes producing social complexity and, by extension, to assess the possibility of a universal theory of history. The rise of comparably complex cultures was much more recent in North America than it was elsewhere and the resulting fresher archeological record is relatively well explored. These and other features make prehistoric North America a unique empirical environment. Together, the symposium and this issue have brought together outstanding investigators with both empirical and theoretical expertise. The strong cross‐feeding and extended interactions between these investigators have given us all the opportunity to advance the promising exploration of what we call the North American Neolithic transitions. Our goal in this paper is to contextualize this issue.
Sociopolitical Effects of Bow and Arrow Technology in Prehistoric Coastal California
Authors: Kennett Douglas J. , Lambert Patricia M. , Johnson John R. , Culleton Brendan J.
Published: June 2013

Bow and arrow technology spread across California between ∼AD 250 and 1200, first appearing in the intermountain deserts of the Great Basin and later spreading to the coast. We critically evaluate the available data for the initial spread in bow and arrow technology and examine its societal effects on the well‐studied Northern Channel Islands off the coast of Southern California. The introduction of this technology to these islands between AD 650 and 900 appears to predate the appearance of hereditary inequality between AD 900 and 1300. We conclude, based on the available data, that this technology did not immediately trigger intergroup warfare. We argue that the introduction of the bow and arrow contributed to sociopolitical instabilities that were on the rise within the context of increasing population levels and unstable climatic conditions, which stimulated intergroup conflict and favored the development of hereditary inequality. Population aggregation and economic intensification did occur with the introduction of the bow and arrow. This observation is consistent with the hypothesis that social coercion via intra‐group “law enforcement” contributed to changes in societal scale that ultimately resulted in larger groups that were favored in inter‐group conflict. We argue that the interplay between intra‐group “law enforcement” and inter‐group warfare were both essential for the ultimate emergence of social inequality between AD 900 and 1300.
Intratumoral vessel density as prognostic factors in head and neck squamous cell carcinoma: A meta‐analysis of literature
Authors: Yu Min , Liu Lei , Liang Chunshui , Li Ping , Ma Xuelei , Zhang Qiongwen , Wei Yuquan
Published: June 2013

Background

The purpose of this study was to comprehensively and quantitatively summarize the prognostic value of microvessel density (MVD) and lymphatic vessel density (LVD) for the survival of patients with head and neck squamous cell carcinoma (HNSCC).

Methods

Relevant literatures were identified using Medline and EMBASE. A meta‐analysis was performed to clarify the prognostic role of MVD and LVD.

Results

A total of 18 articles (13 for MVD and 5 for LVD; n = 1279 and n = 408) were pooled for the global meta‐analysis. The mortality was 1.23‐fold higher for patients whose MVD counts were above the cutoff (risk ratio [RR], 1.23; 95% confidence interval [CI], 0.99–1.52), compared with those below it, and this result was on a borderline (p = .06). The mortality of patients with high LVD counts was 2.07‐fold higher (RR, 2.07; 95% CI, 1.16–3.71; p = .01).

Conclusion

High counts of LVD, not MVD, are associated with worse 5‐year overall survival (OS) in patients with HNSCC. © 2013 Wiley Periodicals, Inc. Head Neck 36: 596–602, 2014
Swallowing in the first year after chemoradiotherapy for head and neck cancer: Clinician‐and patient‐reported outcomes
Authors: Patterson Joanne M. , McColl Elaine , Carding Paul N. , Hildreth Anthony J. , Kelly Charles , Wilson Janet A.
Published: June 2013

Background

This prospective study evaluated swallowing outcomes prechemoradiotherapy (pre‐CRT) up to 1 year post‐CRT, in a substantial cohort of patients with head and neck cancer and explored factors predicting outcome.

Methods

One hundred twelve patients were assessed pretreatment and at 3, 6, and 12 months posttreatment using a questionnaire, endoscopic assessment, water swallow test, and diet score.

Results

Seventy‐one patients were retained, the majority had oropharyngeal (53%) or hypopharyngeal cancer (20%). A marked deterioration occurred between pretreatment and 3 months posttreatment (p ≤ .01). Significant improvement between 3 and 12 months was found on 2 swallowing measures, but not self reported. Three of the 4 pretreatment assessments predicted outcomes at 1 year.

Conclusion

CRT results in a marked deterioration on different paradigms of swallowing measurements. Improvement occurs on some clinical measures, but limited change is observed in patients' perceptions. Pretreatment measures are important indicators of long‐term dysphagia. Swallowing recovery is complex, taking different courses between clinical tests and perspectives. © 2013 Wiley Periodicals, Inc. Head Neck 36: 352–358, 2014
Treatment outcomes and feasibility of partial neck irradiation for patients with nasopharyngeal carcinoma with only retropharyngeal lymph node metastasis after intensity‐modulated radiotherapy
Authors: Chen Mo , Tang Ling‐Long , Sun Ying , Mao Yan‐Ping , Li Wen‐Fei , Guo Rui , Liu Li‐Zhi , Li Li , Lin Ai‐Hua , Ma Jun
Published: June 2013

Background

The purpose of this study was to summarize the treatment outcomes and evaluate the feasibility of partial neck irradiation in patients with nasopharyngeal carcinoma (NPC) with only retropharyngeal lymph nodes (RLNs) metastasis.

Methods

Between January 2003 and December 2007, 54 patients with NPC who received partial neck irradiation to levels II, III, and VA and 100 patients who received whole neck irradiation were reviewed.

Results

The 5‐year disease free survival (DFS), disease metastasis‐free survival, (DMFS) local relapse‐free survival (LRFS), and regional relapse‐free survival (RRFS) rates were 81.8%, 87.7%, 94.8%, and 98.1%, respectively. The 5‐year RRFS and DFS rates for the partial neck irradiation group and whole neck irradiation group were 98.1% versus 98.0% (p = .882), 87.0% vs 77.0% (p = .117), respectively. Partial neck irradiation was not considered a significant prognostic factor for any endpoint in univariate and multivariate analyses.

Conclusion

Partial irradiation of neck levels II, III, and VA might be acceptable for patients with NPC with only RLN metastasis. © 2013 Wiley Periodicals, Inc. Head Neck 36: 468–473, 2014
Parotid metastatic disease from cutaneous squamous cell carcinoma: Prognostic role of facial nerve sacrifice, lateral temporal bone resection, immune status and P‐stage
Authors: Shao Angus , Wong Danny K. C. , McIvor Nicholas P. , Mylnarek Alex M. , Chaplin John M. , Izzard Mark E. , Patel Rajan S. , Morton Randall P.
Published: June 2013

Background

Recognized prognostic indicators for metastatic cutaneous squamous cell carcinoma (SCC) of the head and neck include facial nerve involvement, immune status, and “parotid” staging system (P‐stage). We sought to examine the impact of lateral temporal bone resection (LTBR) on prognosis.

Methods

We conducted a retrospective analysis of 160 patients with metastatic cutaneous SCC to the parotid. All patients had parotidectomy and neck dissection; 27% had additional LTBR when the tumor was adherent to the temporal bone.

Results

Overall 5‐year survival was 48%, disease‐specific survival 77%, and locoregional control 83%. Corresponding results for immunocompetent versus immunocompromised were 55%, 86%, and 87% versus 12%, 48%, and 64%. On Cox regression analysis, only immunocompromised status (ie, lymphoproliferative disorder, organ‐transplant patient) was prognostically significant (p < .001).

Conclusion

More radical resection that may include LTBR mitigates the poorer prognosis with advanced disease in our series. Treatment must be individualized in immunocompromised patients who have shortened overall survival. © 2013 Wiley Periodicals, Inc. Head Neck 36: 545–550, 2014
Optimization of long‐term outcomes for patients with esthesioneuroblastoma
Authors: Ow Thomas J. , Hanna Ehab Y. , Roberts Dianna B. , Levine Nicholas B. , El‐Naggar Adel K. , Rosenthal David I. , DeMonte Franco , Kupferman Michael E.
Published: June 2013

Background

Esthesioneuroblastoma is a rare cancer of the anterior cranial base that arises in the region of the olfactory rootlets. The purpose of this study was to review the long‐term outcomes of patients diagnosed with esthesioneuroblastoma (ENB) treated at a single institution to determine factors associated with improved disease control and survival.

Methods

A retrospective review of 70 patients with ENB treated at the University of Texas MD Anderson Cancer Center between 1992 and 2007 was undertaken. Survival and recurrence was analyzed and compared using the Kaplan–Meier method and log‐rank statistics.

Results

Seventy patients were reviewed. The majority (77%) had T3 or T4 disease at presentation, 38% identified as modified Kadish stage C or D. Ninety percent of patients received surgical resection as part of their treatment, and 66% received postoperative radiation or chemoradiation. The median follow‐up was 91.4 months (7.6 years). Forty‐eight percent of patients developed recurrent disease and the median time to recurrence was 6.9 years. Overall and disease‐specific median survival was 10.5 and 11.6 years, respectively. Patients who were treated with surgery alone had a median disease‐specific survival of 87.9 months, whereas those who were treated with surgery and postoperative radiation had a median disease‐specific survival of 218.5 months (p = .047).

Conclusion

Patients with ENB can achieve favorable long‐term survival, even if disease is locally advanced. Survival is improved considerably when surgical resection is followed by postoperative radiation. However, recurrence rates and mortality remain high, and therefore long‐term observation in these patients is warranted. © 2013 Wiley Periodicals, Inc. Head Neck 36: 524–530, 2014
Analysis of the interannual variability of annual daily extreme water levels in the St Lawrence River and Lake Ontario from 1918 to 2010
Authors: Assani Ali A. , Landry Raphaëlle , Biron Stacey , Frenette Jean‐Jacques
Published: June 2013

We compared the interannual variability of annual daily maximum and minimum extreme water levels in Lake Ontario and the St Lawrence River (Sorel station) from 1918 to 2010, using several statistical tests. The interannual variability of annual daily maximum extreme water levels in Lake Ontario is characterized by a positive long‐term trend showing two shifts in mean (1929–1930 and 1942–1943) and a single shift in variance (in 1958–1959). In contrast, for the St Lawrence River, this interannual variability is characterized by a negative long‐term trend with a single shift in mean, which occurred in 1955–1956. As for annual daily minimum extreme water levels, their interannual variability shows no significant long‐term change in trend. However, for Lake Ontario, the interannual variability of these water levels shows two shifts in mean, which are synchronous with those for maximum water levels, and a single shift in variance, which occurred in 1965–1966. These changes in trend and stationarity (mean and variance) are thought to be due to factors both climatic (the Great Drought of the 1930s) and human (digging of the Seaway and construction of several dams and locks during the 1950s). Despite this change in means and variance, the four series are clearly described by the generalized extreme value distribution. Finally, annual daily maximum and minimum extreme water levels in the St Lawrence and Lake Ontario are negatively correlated with Atlantic multidecadal oscillation over the period from 1918 to 2010. Copyright © 2013 John Wiley & Sons, Ltd.
Toxicity of Pb-contaminated soil to Japanese quail (C
oturnix japonica) and the use of the blood–dietary Pb slope in risk assessment
Authors: Beyer W Nelson , Chen Yu , Henry Paula , May Thomas , Mosby David , Rattner Barnett A , Shearn-Bochsler Valerie I , Sprague Daniel , Weber John
Published: June 2013

This study relates tissue concentrations and toxic effects of Pb in Japanese quail (Coturnix japonica) to the dietary exposure of soil-borne Pb associated with mining and smelting. From 0% to 12% contaminated soil, by weight, was added to 5 experimental diets (0.12 to 382 mg Pb/kg, dry wt) and fed to the quail for 6 weeks. Benchmark doses associated with a 50% reduction in delta-aminolevulinic acid dehydratase activity were 0.62 mg Pb/kg in the blood, dry wt, and 27 mg Pb/kg in the diet. Benchmark doses associated with a 20% increase in the concentration of erythrocyte protoporphyrin were 2.7 mg Pb/kg in the blood and 152 mg Pb/kg in the diet. The quail showed no other signs of toxicity (histopathological lesions, alterations in plasma–testosterone concentration, and body and organ weights). The relation of the blood Pb concentration to the soil Pb concentration was linear, with a slope of 0.013 mg Pb/kg of blood (dry wt) divided by mg Pb/kg of diet. We suggest that this slope is potentially useful in ecological risk assessments on birds in the same way that the intake slope factor is an important parameter in risk assessments of children exposed to Pb. The slope may also be used in a tissue-residue approach as an additional line of evidence in ecological risk assessment, supplementary to an estimate of hazard based on dietary toxicity reference values. Integr Environ Assess Manag 2014;10:22–29. © 2013 SETAC
On the application of an environmental radiological assessment system to an anthropomorphic surrogate
Authors: Brown Justin E , Hosseini Ali , Dowdall Mark
Published: June 2013

Recent developments have seen the expansion of the system of radiological protection for humans to one including protection of the environment against detrimental effects of radiation exposure, although a fully developed framework for integration of human and ecological risk assessment for radionuclides is only at an early stage. In the context of integration, significant differences exist between assessment methodologies for humans and the environment in terms of transfer, exposure, and dosimetry. The aim of this elaboration was to explore possible implications of the simplifications made within the system of environmental radiological protection in terms of the efficacy and robustness of dose–rate predictions. A comparison was conducted between human radiological assessment and environmental radiological assessment for an anthropomorphic surrogate, the results for which, produced by both the environmental and human-oriented risk assessment systems, were critically compared and contrasted. The adopted approach split the calculations into several parts, these being 1) physical transfer in an ecosystem, 2) transfer to humans, 3) internal doses to humans, and 4) external doses to humans. The calculations were carried out using both a human radiological assessment and ecological risk assessment system for the same surrogate. The results of this comparison provided indications as to where the 2 systems are amenable to possible integration and where such integration may prove difficult. Initial stage transport models seem to be an obvious component amenable for integration, although complete integration is arguably unattainable as the differences between endpoints mean that the relevant outputs from the models will not be the same. For the transfer and dosimetry components of 2 typical methodologies, it seems that the efficacy of the environmental system is radionuclide-dependent, the predictions given by the environmental system for 90Sr and 60Co being unsatisfactory and those for 239Pu and 210Po being evidently poor. Integration in this context might take the form of exploring the biokinetic models developed for humans with regard to selected animals and radionuclides. External dose assessment for environmental and human systems provide results for the surrogate that correspond quite closely providing an indication that integration in this regard is perhaps unnecessary. Integr Environ Assess Manag 2014;10:125–132. © 2013 SETAC
Novel Gemini vitamin D3 analogs: Large structure/function analysis and ability to induce antimicrobial peptide
Authors: Okamoto Ryoko , Gery Sigal , Kuwayama Yoshio , Borregaard Niels , Ho Quoc , Alvarez Rocio , Akagi Tadayuki , Liu George Y. , Uskokovic Milan R. , Koeffler H. Phillip
Published: June 2013

We have synthesized 39 1,25‐dihydroxyvitamin D3 [1,25(OH)2D3] analogs having two side chains attached to carbon‐20 (Gemini) with various modifications and compared their anticancer activities. Five structure–function rules emerged to identify analogs with enhanced anticancer activity. One of these active analogs, BXL‐01‐0126, was more potent than 1,25(OH)2D3 in mediating 50% clonal inhibition of cancer cell growth. Murine studies found that BXL‐01‐0126 and 1,25(OH)2D3 had nearly the same potency to raise serum calcium levels. Taken together, BXL‐01‐0126 when compared to 1,25(OH)2D3 has greater anticancer potency, but similar toxicity causing hypercalcemia. We focused on the effect of these compounds on the stimulation of expression of human cathelicidin antimicrobial peptide (CAMP) whose gene has a vitamin D response element in its promoter. Expression of CAMP mRNA and protein increased in a dose‐response fashion after exposure of acute myeloid leukemia (AML) cells to the Gemini analog, BXL‐01‐126, in vitro. A xenograft model of AML was developed using U937 AML cells injected into NSG‐immunodeficient mice. Administration of vitamin D3 compounds to these mice resulted in substantial levels of CAMP in the systemic circulation. This suggests a unique prophylactic treatment at diagnosis or during induction chemotherapy for AML patients to provide them with protection against various microbial infections through CAMP induction.