bluuebunny/crossref_metadata_2025 huggingface dataset:
Simulation of an aperture-based antihydrogen gravity experiment
Authors: Ordonez C. A. , Hedlof R. M.
Published: March 2012

A Monte Carlo simulation is presented of an experiment that could potentially determine whether antihydrogen accelerates vertically up or down as a result of earth's gravity. The experiment would rely on methods developed by existing antihydrogen research collaborations and would employ a Penning trap for the production of antihydrogen within a uniform magnetic field. The axis of symmetry of the cylindrical trap wall would be oriented horizontally, and an axisymmetric aperture (with an inner radius that is smaller than the cylindrical trap wall radius) would be present a short distance away from the antihydrogen production region. Antihydrogen annihilations that occur along the cylindrical trap wall would be detected by the experiment. The distribution of annihilations along the wall would vary near the aperture, because some antihydrogen that would otherwise annihilate at the wall would instead annihilate on the aperture. That is, a shadow region forms behind the aperture, and the distribution of annihilations near the boundary of the shadow region is not azimuthally symmetric when the effect of gravity is significant. The Monte Carlo simulation is used together with analytical modeling to determine conditions under which the annihilation distribution would indicate the direction of the acceleration of antihydrogen due to gravity.
Biological effectiveness on live cells of laser driven protons at dose rates exceeding 109 Gy/s
Authors: Doria D. , Kakolee K. F. , Kar S. , Litt S. K. , Fiorini F. , Ahmed H. , Green S. , Jeynes J. C. G. , Kavanagh J. , Kirby D. , Kirkby K. J. , Lewis C. L. , Merchant M. J. , Nersisyan G. , Prasad R. , Prise K. M. , Schettino G. , Zepf M. , Borghesi M.
Published: March 2012

The ultrashort duration of laser-driven multi-MeV ion bursts offers the possibility of radiobiological studies at extremely high dose rates. Employing the TARANIS Terawatt laser at Queen's University, the effect of proton irradiation at MeV-range energies on live cells has been investigated at dose rates exceeding 109 Gy/s as a single exposure. A clonogenic assay showed consistent lethal effects on V-79 live cells, which, even at these dose rates, appear to be in line with previously published results employing conventional sources. A Relative Biological Effectiveness (RBE) of 1.4±0.2 at 10% survival is estimated from a comparison with a 225 kVp X-ray source.
Global change and the origins of agriculture.
Authors: Ferrio J. P. , Voltas J. , Araus J. L.
Published: March 2012

This chapter provides an overview of the various approaches to investigating the role of climate in the origins of agriculture, as well as the effects of ancient agriculture on the environment. The role of climate in the development of agriculture in the Near East, and human-induced environmental impact and sustainability of early Mediterranean agriculture are covered.
Global change challenges for horticultural systems.
Authors: Ramos C. , Intrigliolo D. S. , Thompson R. B.
Published: March 2012

This chapter discusses the challenges in the horticulture industry brought about by climate and global change. Research on the effects of the expected changes in temperature, atmospheric carbon dioxide, and water availability on the yield and quality of horticultural crops (vegetables, fruit trees and vines) is summarized. The likely effects of these changes on the N dynamics in the plant-soil system, and the available options to mitigate and adapt to these impacts through water and N fertilizer management are covered.
The impact of high CO2 on plant abiotic stress tolerance.
Authors: Lopes M. S. , Foyer C. H.
Published: March 2012

This chapter reviews the state-of-the-art and current concepts regarding plant responses to elevated CO2, particularly in terms of whole-plant morphology, molecular physiology and development. It is generally accepted that high temperatures have a severe negative effect on grain quality, and this will probably be exacerbated by elevated CO2 levels. The predicted increases in the temperature of the earth, together with the increased likelihood of heat stress, may serve to reverse the positive effects of elevated CO2 on photosynthesis and plant growth, particularly in C3 species. Plant breeding strategies must therefore incorporate marker-assisted selection with genes that confer improved thermo-tolerance in order to address the growing problem of heat stress and its likely negative impacts on food security and grain quality.
STEC O157 in the beef chain - risk assessment and management.
Authors: Nastasijevic I.
Published: March 2012

Since the early 1980s,
Escherichia coli
O157 has emerged as one of the most significant pathogens of public health relevance not because of the incidence of the illness, which is much lower than that of other food-borne pathogens such as
Campylobacter
or
Salmonella
, but because of the severity of the symptoms, the low infectious dose and potential sequelae. Shigatoxin-producing
E. coli
(STEC) is a human pathogen that can cause haemorrhagic colitis (HC; bloody diarrhoea). This can also develop into haemolytic uraemic syndrome (HUS), a life-threatening disease that causes kidney damage. Cattle carry mixtures of O157 and non-O157 STEC in their intestines which are not necessarily pathogenic to humans. The O157 STEC serogroup was until recently responsible for the majority of disease outbreaks reported for STECs in North America. However, now the non-O157 STECs account for almost 50% of the reported human disease outbreaks in North America and Europe. Most available information relates to serotype O157:H7, since it is easily differentiated biochemically from other
E. coli
strains. The O157 STECs are shed at significant levels by healthy/asymptomatic cattle, e.g. cattle with jejunal haemorrhage syndrome (JHS). The shedding leads to contamination of the farm environment. This may lead to direct or indirect contamination of cattle hides, which, in turn, can serve as the main source of carcass contamination during slaughter and dressing of cattle at abattoirs or contamination of fresh beef and beef products. A science-based risk assessment is needed to assess the public health impact, the consumer exposure to the pathogen and to propose possible control strategies. In contrast, risk management should include selection of the most effective control measures, for prevention and reduction of the transmission of beef-borne O157 and non-O157 STECs. Since relatively limited STEC reduction was achieved by applying only one control measure (e.g. decontamination treatments of hides/carcasses and/or adequate cooking), a coordinated, targeted and effective application of control measures at multiple points along the beef chain is necessary. Such an integrated approach has a greater potential to manage the risk of beef-borne STEC infections and it should be based upon: on-farm controls, transport-livestock market-lairage controls, slaughter-dressing controls, chilling-processing-retail controls and controls at the catering-consumer level.
A Rediscovered Friendship in the Republic of Letters: The Unpublished Correspondence of Arcangela Tarabotti and Ismaël Boulliau*
Authors: Westwater Lynn Lara
Published: March 2012

The correspondence between the radical Venetian pro-female polemicist and nun Arcangela Tarabotti (1604–52) and the Copernican French astronomer Ismaël Boulliau (1605–94) — here published for the first time — shows how one of Tarabotti's most controversial works made it to press. She had long and unsuccessfully sought in Italy and in France to print the work, which was, puzzlingly, published two years after her death in Holland. It was subsequently placed on the Index of Forbidden Books. Charting the explosive work's journey to France and its later arrival and reception in Holland, the Tarabotti-Boulliau correspondence provides a case study in the circulation of unorthodox ideas in seventeenth-century Europe. By showing Tarabotti's firm inscription in the well-connected scientist's intellectual circle, the letter exchange furthermore contributes to our expanding notions of women's participation in the Republic of Letters, while also suggesting a confluence of radical scientific and social views.
Uniformly quasiregular maps with toroidal Julia sets
Authors: Kangaslampi Riikka , Peltonen Kirsi , Wu Jang-Mei
Published: March 2012

The iterates of a uniformly quasiregular map acting on a Riemannian manifold are quasiregular with a uniform bound on the dilatation. There is a Fatou-Julia type theory associated with the dynamical system obtained by iterating these mappings. We construct the first examples of uniformly quasiregular mappings that have a 2-torus as the Julia set. The spaces supporting this type of mappings include the Hopf link complement and its lens space quotients.
Reggies/flotillins regulate E-cadherin–mediated cell contact formation by affecting EGFR trafficking
Authors: Solis Gonzalo P. , Schrock Yvonne , Hülsbusch Nikola , Wiechers Marianne , Plattner Helmut , Stuermer Claudia A. O.
Published: March 2012

The reggie/flotillin proteins are implicated in membrane trafficking and, together with the cellular prion protein (PrP), in the recruitment of E-cadherin to cell contact sites. Here, we demonstrate that reggies, as well as PrP down-regulation, in epithelial A431 cells cause overlapping processes and abnormal formation of adherens junctions (AJs). This defect in cell adhesion results from reggie effects on Src tyrosine kinases and epidermal growth factor receptor (EGFR): loss of reggies reduces Src activation and EGFR phosphorylation at residues targeted by Src and c-cbl and leads to increased surface exposure of EGFR by blocking its internalization. The prolonged EGFR signaling at the plasma membrane enhances cell motility and macropinocytosis, by which junction-associated E-cadherin is internalized and recycled back to AJs. Accordingly, blockage of EGFR signaling or macropinocytosis in reggie-deficient cells restores normal AJ formation. Thus, by promoting EGFR internalization, reggies restrict the EGFR signaling involved in E-cadherin macropinocytosis and recycling and regulate AJ formation and dynamics and thereby cell adhesion.
Fast stochastic algorithm for simulating evolutionary population dynamics
Authors: Mather William H. , Hasty Jeff , Tsimring Lev S.
Published: March 2012

Motivation: Many important aspects of evolutionary dynamics can only be addressed through simulations. However, accurate simulations of realistically large populations over long periods of time needed for evolution to proceed are computationally expensive. Mutants can be present in very small numbers and yet (if they are more fit than others) be the key part of the evolutionary process. This leads to significant stochasticity that needs to be accounted for. Different evolutionary events occur at very different time scales: mutations are typically much rarer than reproduction and deaths.

Results: We introduce a new exact algorithm for fast fully stochastic simulations of evolutionary dynamics that include birth, death and mutation events. It produces a significant speedup compared to direct stochastic simulations in a typical case when the population size is large and the mutation rates are much smaller than birth and death rates. The algorithm performance is illustrated by several examples that include evolution on a smooth and rugged fitness landscape. We also show how this algorithm can be adapted for approximate simulations of more complex evolutionary problems and illustrate it by simulations of a stochastic competitive growth model.

Contact:  ltsimring@ucsd.edu

Supplementary information:  Supplementary data are available at Bioinformatics online.
Multifractal signatures of infectious diseases
Authors: Holdsworth Amber M. , Kevlahan Nicholas K.-R. , Earn David J. D.
Published: March 2012

Incidence of infection time-series data for the childhood diseases measles, chicken pox, rubella and whooping cough are described in the language of multifractals. We explore the potential of using the wavelet transform maximum modulus (WTMM) method to characterize the multiscale structure of the observed time series and of simulated data generated by the stochastic susceptible-exposed-infectious-recovered (SEIR) epidemic model. The singularity spectra of the observed time series suggest that each disease is characterized by a unique multifractal signature, which distinguishes that particular disease from the others. The wavelet scaling functions confirm that the time series of measles, rubella and whooping cough are clearly multifractal, while chicken pox has a more monofractal structure in time. The stochastic SEIR epidemic model is unable to reproduce the qualitative singularity structure of the reported incidence data: it is too smooth and does not appear to have a multifractal singularity structure. The precise reasons for the failure of the SEIR epidemic model to reproduce the correct multiscale structure of the reported incidence data remain unclear.
Label-free magnetic resonance imaging to locate live cells in three-dimensional porous scaffolds
Authors: Abarrategi A. , Fernandez-Valle M. E. , Desmet T. , Castejón D. , Civantos A. , Moreno-Vicente C. , Ramos V. , Sanz-Casado J. V. , Martínez-Vázquez F. J. , Dubruel P. , Miranda P. , López-Lacomba J. L.
Published: March 2012

Porous scaffolds are widely tested materials used for various purposes in tissue engineering. A critical feature of a porous scaffold is its ability to allow cell migration and growth on its inner surface. Up to now, there has not been a method to locate live cells deep inside a material, or in an entire structure, using real-time imaging and a non-destructive technique. Herein, we seek to demonstrate the feasibility of the magnetic resonance imaging (MRI) technique as a method to detect and locate
in vitro
non-labelled live cells in an entire porous material. Our results show that the use of optimized MRI parameters (4.7 T; repetition time = 3000 ms; echo time = 20 ms; resolution 39 × 39 µm) makes it possible to obtain images of the scaffold structure and to locate live non-labelled cells in the entire material, with a signal intensity higher than that obtained in the culture medium. In the current study, cells are visualized and located in different kinds of porous scaffolds. Moreover, further development of this MRI method might be useful in several three-dimensional biomaterial tests such as cell distribution studies, routine qualitative testing methods and
in situ
monitoring of cells inside scaffolds.
Production of in vivo-biotinylated rotavirus particles
Authors: De Lorenzo G. , Eichwald C. , Schraner E. M. , Nicolin V. , Bortul R. , Mano M. , Burrone O. R. , Arnoldi F.
Published: March 2012

Although inserting exogenous viral genome segments into rotavirus particles remains a hard challenge, this study describes the in vivo incorporation of a recombinant viral capsid protein (VP6) into newly assembled rotavirus particles. In vivo biotinylation technology was exploited to biotinylate a recombinant VP6 protein fused to a 15 aa biotin-acceptor peptide (BAP) by the bacterial biotin ligase BirA contextually co-expressed in mammalian cells. To avoid toxicity of VP6 overexpression, a stable HEK293 cell line was constructed with tetracycline-inducible expression of VP6–BAP and constitutive expression of BirA. Following tetracycline induction and rotavirus infection, VP6–BAP was biotinylated, recruited into viroplasms and incorporated into newly assembled virions. The biotin molecules in the capsid allowed the use of streptavidin-coated magnetic beads as a purification technique instead of CsCl gradient ultracentrifugation. Following transfection, double-layered particles attached to beads were able to induce viroplasm formation and to generate infective viral progeny.
Kinetic expression analysis of the cluster mdv1-mir-M9–M4, genes meq and vIL-8 differs between the lytic and latent phases of Marek’s disease virus infection
Authors: Coupeau D. , Dambrine G. , Rasschaert D.
Published: March 2012

Marek’s disease virus (GaHV-2) is an alphaherpesvirus that induces T-cell lymphoma in chickens. The infection includes both lytic and latent stages. GaHV-2 encodes three clusters of microRNAs (miRNAs) located in the internal (I)/terminal (T) repeat (R) regions. We characterized transcripts encompassing the mdv1-mir-M9–M4 and mir-M11–M1 clusters located in the IRL/TRL region, upstream and downstream from the meq oncogene, respectively. By 5′- and 3′-RACE-PCR and targeted RT-PCR, we showed that mdv1-mir-M9–M4 could be transcribed from an unspliced transcript or from at least 15 alternatively spliced transcripts covering the IRL/TRL region, encompassing the meq and vIL-8 genes and localizing the mdv1-mir-M9–M4 cluster to the first intron at the 5′-end. However, all these transcripts, whether spliced or unspliced, seemed to start at the same transcriptional start site, their transcription being driven by a single promoter, prmiRM9M4. We demonstrated alternative promoter usage for the meq and vIL-8 genes, depending on the phase of GaHV-2 infection. During the latent phase, the prmiRM9M4 promoter drove transcription of the meq and vIL-8 genes and the mdv1-mir-M9–M4 cluster in the first intron of the corresponding transcripts. By contrast, during the lytic phase, this promoter drove the transcription only of the mdv1-mir-M9–M4 cluster to generate unspliced mRNA, the meq and vIL-8 genes being transcribed principally from their own promoters. Despite the expression of meq and the mdv1-mir-M9–M4 cluster under two different transcriptional processes during the latent and lytic phases, our data provide an explanation for meq expression and mdv1-mir-M4-5P overexpression in miRNA libraries from GaHV-2-infected cells, regardless of the phase of infection.
N′-[(1E,2E)-3,7-Dimethylocta-2,6-dien-1-ylidene]pyridine-4-carbohydrazide
Authors: Bhat Mashooq A. , Abdel-Aziz Hatem A. , Ghabbour Hazem A. , Hemamalini Madhukar , Fun Hoong-Kun
Published: March 2012

In the title compound, C16H21N3O, the molecule adopts anEconformation about the central C=N double bond. The 2-methylpent-2-ene group is disordered over two sets of sites, with a refined occupancy ratio of 0.785 (8):0.215 (8). The dihedral angle between the essentially planar [the r.m.s. value for the major component is 0.021 (7) and its maximum deviation is 0.025 (4) Å; the r.m.s. value for the minor component is 0.03 (4) and its maximum deviation is 0.05 (3) Å] major and minor components of the 2-methylbut-2-ene group is 35.9 (13)°. In the crystal, C—H...O and N—H...O hydrogen bonds link the molecules, with the same O atom acting as the acceptor. This results inC11(4) andC11(5) [001] chains.
2-[N-(4-{4-[(2-Hydroxy-5-methoxybenzylidene)amino]benzyl}phenyl)carboximidoyl]-4-methoxyphenol
Authors: Ourari Ali , Baameur Lotfi , Bouet Gilles , Allain Magali
Published: March 2012

In the title Schiff base, C29H26N2O4, the complete molecule is generated by a crystallographic twofold axis and is V-shaped. The planes of the benzene rings of the central diphenylmethane unit make a dihedral angle of 78.11 (4)° while adjacent benzene and 5-methoxysalicylidene rings are twisted with respect to each other by a dihedral angle of 11.84 (8)°. The Schiff base is in the enol–imino form and an intramolecular O—H...N hydrogen bond is observed.
Di-μ-iodido-bis{[(R)-(+)-2,2′-bis(diphenylphosphanyl)-1,1′-binaphthyl-κ2P,P′]copper(I)} 0.67-hydrate
Authors: Volz Daniel , Nieger Martin , Bräse Stefan
Published: March 2012

The structure of the title compound, [Cu2I2(C44H32P2)2]·0.67H2O, has been determined because of its interesting catalytic and optical features. The molecule, which has non-crystallographicC2-symmetry, consists of a core structure of two CuIions, bridged by two iodide ions. Each CuIion is also coordinated by one equivalent of the chiral bidentate (R)-BINAP ligand [BINAP = 2,2′-bis(diphenylphosphanyl)-1,1′-binaphthyl]. Thus, both cations show a distorted tetrahedral geometry being surrounded by two I atoms and two P atoms from the (R)-BINAP ligands. The complex consists of isolated butterfly-shaped molecules featuring an angle of 146.11 (2)° between adjacent CuI2planes. The structure displays intramolecular C—H...I hydrogen bonding and contains disordered water. The absolute configuration of this chiral complex was determined by anomalous dispersion effects.
[(4-Methylbenzyl)bis(pyridin-2-ylmethyl)amine-κ3N,N′,N′′]bis(thiocyanato-κS)copper(II) dichloromethane hemisolvate
Authors: Qi Yan , Li Yang , Ma Zheng-Ping , Chen Qiu-Yun
Published: March 2012

The title compound, [Cu(NCS)2(C20H21N3)]·0.5CH2Cl2, crystallized with two independent complex molecules (AandB) in the asymmetric unit, accompanied by one dichloromethane solvent molecule. Each CuIIatom has a square-pyramidal geometry, being coordinated by five N atoms, three from the (4-methylbenzyl)bis(pyridin-2-ylmethyl)amine ligand and two from the thiocyanate ligands. In the crystal, theBmolecules are linkedviaC—H...S interactions, forming chains propagating along [100].
(Z)-3-p-Tolyl-2-(p-tolylimino)-1,3-thiazolidin-4-one
Authors: Abdel-Aziz Hatem A. , Ghabbour Hazem A. , Chia Tze Shyang , Fun Hoong-Kun
Published: March 2012

In the title compound, C17H16N2OS, the central thiazolidin-4-one ring forms dihedral angles of 66.49 (9) and 79.45 (6)° with the two methyl-substituted benzene rings. In the crystal, molecules are stacked in columns along thebaxis through C—H...π interactions. The H atoms of one of the methyl groups are disordered over two orientations with equal site occupancies.
1-(2,4-Dichlorophenyl)-5-(2-nitroanilino)-1H-pyrazole-4-carbonitrile
Authors: Liu Ju , Cai Zhi-Qiang , Wang Yang , Li Chun-Yan , Xu Li-Feng
Published: March 2012

In the title compound, C16H9Cl2N5O2, the folded molecular conformation is characterized by a dihedral angle between the two benzene rings of 74.03 (5)°. An intramolecular N—H...O hydrogen bond is observed between the H atom of the amide group and a nitro-group O atom. Intermolecular C—H...O and N—H...N hydrogen bonds feature in the crystal packing.
Cinnarizinium 3,5-dinitrosalicylate
Authors: Dayananda Alaloor S. , Yathirajan Hemmige S. , Gerber Thomas , Hosten Eric , Betz Richard
Published: March 2012

The title compound [systematic name: 4-diphenylmethyl-1-(3-phenylprop-2-en-1-yl)-piperazin-1-ium 2-carboxy-4,6-dinitrophenolate], C26H29N2+·C7H3N2O7−, is the dinitrosalicylate salt of a tertiary amine. Deprotonation of the carboxylic acid group occurred on the phenolic hydroxy group. The diazacyclohexane ring adopts a chair conformation. Intramolecular O—H...O and intermolecular C—H...O and N—H...O hydrogen bonds are observed. The N—H...O hydrogen bonds are bifurcated at the H atom and connect the cinnarizinium and 3,5-dinitrosalicylate ions together. Intermolecular C—H...O hydrogen bonds connect the components into layers perpendicular to the crystallographicaaxis.
6,6′-Dimethoxy-2,2′-[(E,E′)-(2,4,6-trimethyl-1,3-phenylene)bis(nitrilomethanylylidene)]diphenol chloroform monosolvate
Authors: Bahron Hadariah , Bakar Najihah Abu , Yamin Bohari M. , Yusof M. Sukeri M.
Published: March 2012

In the title compound, C25H26N2O4·CHCl3, the aromatic rings of the iminomethyl-6-methoxyphenol fragments make dihedral angles of 58.33 (6) and 87.74 (6)° with the central benzene ring. The molecular conformation is stabilized by intramolecular O—H...N hydrogen bonds. In the crystal, an intermolecular C—H...O hydrogen bond involving the chloroform solvent molecule is observed. The crystal packing is further stabilized by π–π stacking interactions [centroid–centroid distances = 3.739 (3)–3.776 (3) Å] between the benzene rings of centrosymmetrically related molecules.
trans-Bis(5-amino-1,3,4-thiadiazol-2-thiolato-κS2)bis(triphenylphosphane-κP)palladium(II) dimethyl sulfoxide disolvate hemihydrate
Authors: Chontal-Vidal Felipe , Arroyo-Gómez Maricela , Hernández-Ortega Simón , Reyes-Martínez Reyna , Morales-Morales David
Published: March 2012

The title complex, [Pd(C2H2N3S2)2(C18H15P)2]·2C2H6OS·0.5H2O, was obtained from the reaction oftrans-[(Ph3P)2PdCl2] with 5-amino-1,3,4-thiadiazole-2-thione (SSNH2) in a 2:1 molar ratio. The PdIIatom, located in a crystallographic center of symmetry, has a square-planar geometry with two triphenylphosphineP-coordinated molecules and two SSNH2ligands with the S atoms in atransconformation. The latter ligand exhibits N—H...N hydrogen-bonding contacts formed by the amino group with the thiadiazole ring, generating a chain along thecaxis. The asymmetric unit contains one half of the complex molecule along with disordered dimethyl sulfoxide and water molecules.
{2-[(2-Aminocyclohexyl)iminomethyl]phenolato}dioxidovanadium(V)
Authors: Sun Xin-Zhi
Published: March 2012

In the title dioxidovanadium complex, [V(C13H17N2O)O2], the VVatom is in a square-based pyramidal coordination: the basal plane is defined by the phenolate O, imine N and amine N atoms of the tridentate Schiff base ligand, and by one oxide O atom. The apical position is occupied by the other oxide O atom. In the crystal, molecules are connected by N—H...O and N—H...(O,O) hydrogen bonds, forming a tetramer.
(5-Bromo-2-hydroxyphenyl)(4-propylcyclohexyl)methanone
Authors: Meng Kang , Cao Miao , An Zhuo-Ling , Zhang Jie , Liu Li-Hong
Published: March 2012

In the title compound, C16H21BrO2, the cyclohexane ring adopts a chair conformation. The hydroxy and carbonyl groups are involved in an intramolecular O—H...O hydrogen bond. In the crystal, weak C—H...O interactions link the molecules into zigzag chains along [010].
4-[(1,3-Thiazol-2-yl)sulfamoyl]phenyl 2,2,2-trifluoroacetate
Authors: Asiri Abdullah M. , Faidallah Hassan M. , Alamry Khalid A. , Ng Seik Weng , Tiekink Edward R. T.
Published: March 2012

In the title compound, C11H7F3N2O4S2, the 1,3-thiazol-2-amine residue is almost perpendicular to the central benzene ring [dihedral angle = 84.3 (2)°]. There is a small twist between the benzene ring and the ester group [C—O—C—C torsion angle = 9.8 (6)°]. Thus, the molecule has an L-shape. Inversion-related dimers are connected in the crystal packing by pairs of N—H...N hydrogen bonds formed between the amine H and thiazole N atomviaeight-membered {...HNCN}2synthons.
catena-Poly[[bis(μ3-5-hydroxyisophthalato)bis(pyrazino[2,3-f][1,10]phenanthroline)dicadmium] dihydrate]
Authors: Zhao Peng-Cheng
Published: March 2012

The title coordination polymer, {[Cd2(C8H4O5)2(C14H8N4)2]·2H2O}n, has a layered structure. The asymmetric unit contains two CdIIions, two pyrazino[2,3-f][1,10]phenanthroline, two 5-hydroxyisophthalate (hip) ligands and two lattice water molecules. Each CdIIion is coordinated by two N atoms from a chelating pyrazino[2,3-f][1,10]phenanthroline and four O atoms from three different hip ligands, resulting in a distorted CdN2O4octahedral coordination environment. The hip ligand connects adjacent CdIIions, forming forming layers parallel to (010). Intralayer O—H...O hydrogen bonds involving the hydroxy groups and solvent water molecules consolidate the crystal packing.
N-(4-Sulfamoylphenyl)acetamide
Authors: Asiri Abdullah M. , Faidallah Hassan M. , Sobahi Tariq R. , Ng Seik Weng , Tiekink Edward R. T.
Published: March 2012

In the title compound, C8H10N2O3S, the dihedral angle between the acetamide group and the benzene ring is 15.59 (12)° and the amino group is close to being perpendicular to the benzene ring [N—S—Car—Car(ar = aromatic) torsion angle = 109.4 (2)°]. In the crystal, molecules are linked into supramolecular tubes parallel to [001] by amine–amide N—H...O interactions and these are connected into the three-dimensional architecture by amide–sulfonamide N—H...O hydrogen bonds. The crystal studied was a racemic twin.
3-Acetyl-5-phenyl-1-p-tolyl-1H-pyrazole-4-carbonitrile
Authors: Abdel-Aziz Hatem A. , Ghabbour Hazem A. , Chantrapromma Suchada , Fun Hoong-Kun
Published: March 2012

In the title pyrazole derivative, C19H15N3O, the central pyrazole ring makes dihedral angles of 42.71 (9) and 61.34 (9)°, respectively, with the phenyl andp-tolyl rings. The dihedral angle between the phenyl andp-tolyl rings is 58.22 (9)°. The 3-acetyl-1H-pyrazole-4-carbonitrile unit is essentially planar, with an r.m.s. deviation of 0.0295 (1) Å for the ten non-H atoms.
Bis(adamantan-1-aminium) carbonate
Authors: Nowakowska Monika , Gamble Caryn , Levendis Demetrius C.
Published: March 2012

In the title compound, 2C10H18N+·CO32−, the adamantan-1-aminium cation forms three N—H...O hydrogen bonds to three carbonate ions, resulting in a layer parallel to (001) with the adamantane groups located on its surface so that adjacent layers form only C—H...H—C contacts. The carbonate anions occupy special positions of 32 symmetry, whereas the adamantan-1-aminium cations occupy special positions of 3 symmetry.
1-(2-Hydroxyethyl)-3-phenylthiourea
Authors: Abdelhamid Antar A. , Mohamed Shaaban K. , Akkurt Mehmet , Singh Kuldip , Potgieter Herman
Published: March 2012

The title compound, C9H12N2OS, was obtained unexpectedly in a multicomponent reaction of an equimolar ratio of phenyl isothiocyanate, malononitrile and aminoethanol. The –C(H2)–N(H)–(C=S)–N(H)– methylthiourea–methane group is almost normal to the phenyl ring, with a dihedral angle of 71.13 (9)°. The N—C—C—O torsion angle is 72.8 (2)°. In the crystal, molecules are connected by N—H...O, O—H...S and N—H...O hydrogen bonds, forming a three-dimensional network.
(2E)-1-(2,6-Dichloro-3-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Authors: Praveen A. S. , Jasinski Jerry P. , Golen James A. , Yathirajan H. S. , Narayana B.
Published: March 2012

There are two independent molecules in the asymmetric unit of the title compound, C16H11Cl2FO2. The F atom equally populates bothmetapositions of the 6-dichloro-3-fluorophenyl ring in each molecule, resulting in 0.5 occupancy for both the F and H atoms in these positions. The dihedral angle between the mean planes of the benzene rings are 77.5 (2) and 89.8 (8)°in the two molecules. In the crystal, weak C—H...F and C—H...O interactions involving the half-occupied H and F atoms are observed. Weak π–π stacking interactions [centroid—centroid distance = 3.150 (2) Å] also contribute to the crystal stability.
(Acetylacetonato-κ2O,O′)[(2-bromophenyl)diphenylphosphane-κP]carbonylrhodium(I)
Authors: Davis Wade L. , Meijboom Reinout
Published: March 2012

In the title compound, [Rh(C5H7O2)(C18H14BrP)(CO)], the RhIatom adopts a slightly distorted square-planar geometry involving two O atoms [Rh—O = 2.077 (2) and 2.033 (2) Å] of the acetylacetonate ligand, one carbonyl C atom [Rh—C = 1.813 (2) Å] and one P atom [Rh—P = 2.242 (5) Å] of the PPh2(2-BrC6H4) phosphane ligand. Difference electron density maps indicate a disorder of the Br atom over two positions in an approximate 0.95:0.05 ratio. However, this disorder could not be resolved satisfactorily with the present data.
2-[(1-Methyl-1H-pyrrol-2-yl)methylidene]propanedinitrile
Authors: Asiri Abdullah M. , Faidallah Hassan M. , Al-Thabaiti Shaeel A. , Ng Seik Weng , Tiekink Edward R. T.
Published: March 2012

In the title compound, C9H7N3, the N-bound methyl group and vinyl H atom aresyn. The 12 non-H atoms comprising the molecule are essentially coplanar (r.m.s. deviation = 0.071 Å). Supramolecular tapes feature in the crystal packing, orientated perpendicular to [10-1], and are formed by C—H...N interactions involving each cyano N atom. The tapes are connected into layersviaπ–π interactions occurring between translationally related pyrrole rings [ring centroid–centroid distance = 3.8754 (10) Å]; the layers stack along thebaxis.
3-Oxapentane-1,5-diyl dicarbamate
Authors: Li Zhi
Published: March 2012

The complete molecule of the title compound, C6H12N2O5, is generated by a rotation about a twofold axis. The conformation along the bond sequence linking the two amino groups istrans-trans-(+)gauche-trans-trans. In the crystal, N—H...O hydrogen bonds link the molecules into a three-dimensional supramolecular architecture.
Analysis of three Xanthomonas axonopodis pv. citri effector proteins in pathogenicity and their interactions with host plant proteins
Authors: DUNGER GERMÁN , GAROFALO CECILIA G. , GOTTIG NATALIA , GARAVAGLIA BETIANA S. , ROSA MARÍA C. PEREDA , FARAH CHUCK S. , ORELLANO ELENA G. , OTTADO JORGELINA
Published: March 2012

Xanthomonas axonopodis pv. citri, the bacterium responsible for citrus canker, uses effector proteins secreted by a type III protein secretion system to colonize its hosts. Among the putative effector proteins identified for this bacterium, we focused on the analysis of the roles of AvrXacE1, AvrXacE2 and Xac3090 in pathogenicity and their interactions with host plant proteins. Bacterial deletion mutants in avrXacE1, avrXacE2 and xac3090 were constructed and evaluated in pathogenicity assays. The avrXacE1 and avrXacE2 mutants presented lesions with larger necrotic areas relative to the wild‐type strain when infiltrated in citrus leaves. Yeast two‐hybrid studies were used to identify several plant proteins likely to interact with AvrXacE1, AvrXacE2 and Xac3090. We also assessed the localization of these effector proteins fused to green fluorescent protein in the plant cell, and observed that they co‐localized to the subcellular spaces in which the plant proteins with which they interacted were predicted to be confined. Our results suggest that, although AvrXacE1 localizes to the plant cell nucleus, where it interacts with transcription factors and DNA‐binding proteins, AvrXacE2 appears to be involved in lesion‐stimulating disease 1‐mediated cell death, and Xac3090 is directed to the chloroplast where its function remains to be clarified.
Systematic review: antibodies and anti‐TNF‐α levels in inflammatory bowel disease
Authors: Chaparro M. , Guerra I. , Muñoz‐Linares P. , Gisbert J. P.
Published: March 2012

Background

The associations between clinical efficacy and infusion reactions with anti‐TNF‐α drug levels and the presence of antibodies against the drug have been described. However, the clinical utility of these tests in routine clinical practice remains unclear.

Aims

To examine the clinical significance of the development of antibodies against anti‐TNF‐α drugs and the relationship between the efficacy of these drugs and their serum levels. We also studied the clinical utility of testing for anti‐TNF‐α antibodies and measuring drug serum levels to optimise treatment of patients with inflammatory bowel disease (IBD) receiving these agents.

Methods

A systematic review was undertaken based on electronic searches of the PubMed database from the earliest record to February 2012. The reference lists of all relevant articles and abstracts from meetings were also consulted.

Results

We observed a close relationship between trough levels of anti‐TNF‐α drug and maintenance of response to these drugs. The role of antibodies in loss of response seems to be limited to their effect favouring the clearance of the drug. The risk of infusion reactions, but not of delayed hypersensitivity reactions, is higher in patients with antibodies against the anti‐TNF‐α drug. Testing anti‐TNF‐α drug and antibody levels, together with clinical and endoscopic or radiological assessment, seems useful when attempting to optimise therapy and prevent inappropriate management of IBD patients.

Conclusion

Measurement of serum anti‐TNF‐α trough levels and antibody titres could prove useful in therapeutic drug monitoring in IBD patients treated with anti‐TNF‐α agents.
Inhibition of Methaemoglobin Reduction by Sodium Salicylate
Authors: Worathumrong Nimnuan , Grimes A. J.
Published: March 2012

Summary. Normal, human red cells containing nitrite‐induced methaemoglobin were incubated in glucose‐supplemented serum in the presence or absence of sodium salicylate. It was shown that sodium salicylate inhibits methaemoglobin reduction.

Studies performed on haemolysates demonstrated that this effect on red cells was due to the inhibition by sodium salicylate of diaphorase. This inhibitory action of sodium salicylate was due primarily to salicylate ions and, secondarily, to the accompanying sodium ions.
Effect of transferrin, lactoferrin and chelated iron on human T‐lymphocytes
Authors: Djeha A. , Brock J. H.
Published: March 2012

Summary. The effect of different forms of iron and iron‐binding proteins on the proliferative response of human lymphocytes to phytohaemagglutinin (PHA) has been studied. Transferrin enhanced proliferation, the effect being proportional to the degree of iron saturation up to 100%, but decreased if additional iron was present. The lipophilic complex ferric pyridoxal isonicotinoyl hydrazone (FePIH) also enhanced proliferation, but the hydrophilic complex ferric nitrilotriacetate (FeNTA) was inhibitory. Fe‐lactoferrin could not substitute for Fe‐transferrin, although iron‐free (apo) lactoferrin abrogated the inhibitory effect seen when iron levels exceed the binding capacity of transferrin. Lymphocyte ferritin levels increased 4‐fold as the iron saturation of transferrin increased from 0 to 90% but no further increase was seen at higher iron levels, suggesting that lymphocytes are poorly equipped to detoxify excess iron through stimulation of ferritin synthesis. The effect of iron on the CD4:CD8 ratio after 72 h culture with PHA was also examined. The ratio was approximately 2:1 for cells cultured with transferrin at iron saturations between 0 and 75%, with FePIH, or without either, but decreased to 1·1:1 when cells were cultured in the presence of FeNTA, regardless of whether or not saturated Fe‐transferrin was present. These results show that iron can affect lymphocyte proliferation and subset ratios in different ways according to the form and amount present, and may help to explain some of the immunological disturbances associated with iron overload.
Epithelial–mesenchymal transition in breast cancer correlates with high histological grade and triple‐negative phenotype
Authors: Jeong Hoiseon , Ryu Young‐joon , An Jungsuk , Lee Youngseok , Kim Aeree
Published: March 2012

Jeong H, Ryu Y‐j, An J, Lee Y & Kim A

(2012) Histopathology 60, E87–E95

Epithelial–mesenchymal transition in breast cancer correlates with high histological grade and triple‐negative phenotype

Aims:  Epithelial–mesenchymal transition (EMT) is characterized by a loss of epithelial nature and the acquisition of a mesenchymal form. The aim of this study was to assess the role of EMT in human mammary carcinogenesis, by performing immunohistochemical studies of EMT markers with tissue microarrays.

Methods and results:  A total of 492 cases were evaluated and classified as hormone receptor (HR)‐positive type, HER2 type and triple‐negative (TN) type by the use of immunohistochemistry and in‐situ hybridization. We compared these groups in terms of epithelial and mesenchymal marker expression patterns. Of the 102 cases of TN‐type breast cancer, 24.5% expressed vimentin, 13.7% expressed N‐cadherin, and 9.8% expressed smooth muscle actin (SMA). Of the 221 cases of HR‐type breast cancer, 4.1% expressed vimentin, 5.9% expressed N‐cadherin, and 0.4% expressed SMA. Regarding epithelial markers, decreased expression was seen in 16.7% of cases for E‐cadherin, in 45.1% for cytokeratin (CK)19 and in 60.8% for CK8 and CK18 (CAM5.2) in TN‐type breast cancer cases. Decreased expression was seen in 11.8% of cases for E‐cadherin, in 6.8% for CK19 and in 3.2% for CAM5.2 in HR‐type cases.

Conclusions:  EMT features were particularly seen in TN‐type breast cancer (P < 0.001). EMT was also significantly associated with high histological grade (P < 0.001).
Changes in volatile aroma compounds of pineapple (Ananas comosus) during freezing and thawing
Authors: Kaewtathip Thipthida , Charoenrein Sanguansri
Published: March 2012

Changes in the volatile aroma compounds of pineapple (Ananas comosus) during freezing and thawing were compared against fresh samples to determine the effect of freezing on pineapple flavour. An HS‐SPME–GC–MS analysis showed that the Smooth Cayenne pineapple variety had nineteen volatile compounds, in four classes of compounds including fourteen esters, two hydrocarbons, two sulphur‐containing compounds and one lactone. The main characteristic volatile compounds of the fresh pineapple were methyl hexanoate, ethyl hexanoate, ethyl 3‐methylthiopropanoate and 1‐(E,Z)‐3,5‐undecatriene. Freeze–thaw cycles were associated with the loss of some volatile aroma compounds, particularly the esters which were found to be the main characteristic of fresh pineapples. The freezing and thawing process was found to cause damage to the pineapple tissues due to ice recrystallisation and dehydration which lead to the reduction of volatile aroma compounds.
Randomized trial of albinterferon alfa‐2b every 4 weeks for chronic hepatitis C virus genotype 2/3
Authors: Pianko S. , Zeuzem S. , Chuang W.‐L. , Foster G. R. , Sarin S. K. , Flisiak R. , Lee C.‐M. , Andreone P. , Piratvisuth T. , Shah S. , Sood A. , George J. , Gould M. , Komolmit P. , Thongsawat S. , Tanwandee T. , Rasenack J. , Li Y. , Pang M. , Yin Y. , Feutren G. , Jacobson I. M. ,   for the B2202 Study Team
Published: March 2012

Summary.  Albinterferon alfa‐2b (albIFN) is a fusion protein of recombinant human albumin/recombinant interferon (IFN)‐α‐2b, with ∼200‐h half‐life. Safety/efficacy of albIFN q4wk was evaluated in 391 treatment‐naive patients with chronic hepatitis C virus (HCV) genotype 2/3. Patients were randomized 3:4:4:4 to one of four open‐label treatment groups: pegylated IFN (Peg‐IFN)‐α‐2a 180 μg qwk or albIFN 900, 1200 or 1500 μg q4wk, plus oral ribavirin 800 mg/day, for 24 weeks. Primary efficacy endpoint was sustained virologic response (SVR; HCV RNA <20 IU/mL 24 weeks post‐treatment). SVR rates were as follows: 85%, 76%, 76% and 78% with Peg‐IFNα‐2a and albIFN 900, 1200 and 1500 μg, respectively (P = NS); corresponding rapid virologic response rates (HCV RNA <43 IU/mL at week 4) were as follows: 78%, 49% (P < 0.001), 60% (P = 0.01) and 71%. SVR rates were not influenced by interleukin 28B genotype, although rapid virologic response rates were greater with interleukin 28B CC (P = NS). Serious adverse event rates were as follows: 4%, 11%, 3% and 3% with Peg‐IFNα‐2a and albIFN 900, 1200 and 1500 μg, respectively. No increase in serious/severe respiratory events was noted with albIFN. Fewer absolute neutrophil count reductions <750/mm3 occurred with albIFN (P = 0.03), leading to fewer IFN dose reductions. Haemoglobin reductions <10 g/dL were less frequent with albIFN 900 and 1200 μg vs 1500 μg and Peg‐IFNα‐2a (P = 0.02), leading to fewer ribavirin dose reductions. albIFN administered q4wk produced fewer haematologic reductions than Peg‐IFNα‐2a, but had numerically lower SVR rates (P = NS) in patients with chronic HCV genotype 2/3.
Extensive sympatry, cryptic diversity and introgression throughout the geographic distribution of two coral species complexes
Authors: LADNER JASON T. , PALUMBI STEPHEN R.
Published: March 2012

The identification of species is one of the most basic, and yet critically important, issues in biology with far‐reaching potential implications for fields such as biodiversity conservation, population ecology and epidemiology. Morphology has long been the primary tool biologists have used to categorize life. However, we now know that a significant portion of natural diversity is morphologically hidden, and therefore, we must integrate nonmorphological tools into the description of biodiversity. Here, we demonstrate the utility of multilocus population genetic data for identifying and characterizing cryptic species complexes, even when species share large amounts of genetic variability. Specifically, we have used DNA sequence data from 12 genomic regions to characterize two widespread species complexes in the coral genus Acropora: A. cytherea and A. hyacinthus. These two morphospecies have each been sampled from 5 to 7 locations throughout their Indo‐Pacific distributions, and with the use of structure and hierarchical clustering, we demonstrate the presence of at least six widespread cryptic species within these two morphospecies complexes. After identifying cryptic lineages, we then utilize the genetic data to examine the history of introgressive hybridization within and between these morphospecies complexes. Our data indicate that these two complexes form a global syngameon with consistent patterns of introgression between species across large geographic distributions.
Dermatoses secondary to Asian cultural practices
Authors: Lilly Evelyn , Kundu Roopal V.
Published: March 2012

Although Asian cultural practices, such as acupuncture and threading, are widely used, there is limited medical literature describing their cutaneous effects and complications. This review briefly describes therapeutic cultural practices (traditional Chinese medicine, acupuncture, cupping, moxibustion, coining, Ayurveda, and aromatherapy) and cosmetic cultural practices (hair oils, henna, bindis, saris, and threading), with particular attention to dermatoses secondary to these practices. Traditional Chinese medicine and Ayurveda may cause heavy metal toxicity, severe cutaneous adverse reactions, and contact dermatitis. Cupping, moxibustion, and coining lead to dermatoses that may be mistaken for abuse by people unfamiliar with the practices. Hair oils may cause contact dermatitis and folliculitis. Paraphenylenediamine in black henna and bindi dyes and adhesives can cause severe allergic contact dermatitis. The drawstring in saris causes frictional irritation, which can lead to tinea corporis, koebnerization, and even squamous cell carcinoma. Threading may cause folliculitis, impetigo, and verrucae. The increasing prevalence of Asian cultural practices, which are performed inside and outside of Asia in this era of globalization, demands that dermatologists be familiar with the secondary dermatoses that may develop.
Myeloid leukemia cutis in the setting of myelodysplastic syndrome: a crucial dermatological diagnosis
Authors: Patel Laju M. , Maghari Amin , Schwartz Robert A. , Kapila Rajendra , Morgan Aaron J. , Lambert W. Clark
Published: March 2012

Cutaneous involvement by myeloid leukemic cells is an unusual phenomenon. Clinical manifestations vary from erythematous papules to plum‐colored plaques and nodules that may become purpuric and ulcerate. The definitive diagnosis of myeloid leukemia cutis requires the analysis of biopsy specimens using immunohistochemical staining to determine the expression of selective cell surface markers. We will review myeloid leukemia when first evident in the skin, particularly in the setting of myelodysplastic syndrome. The diagnosis of leukemia cutis in patients with myelodysplastic syndrome is indicative of concomitant or impending acute leukemic transformation. The early recognition and accurate identification of leukemic skin infiltrates in myelodysplastic patients is crucial, as this finding can have significant therapeutic and prognostic implications.