bluuebunny/crossref_metadata_2025 huggingface dataset:
Multipronged attenuation of macrophage-colony stimulating factor signaling by Epstein–Barr virus BARF1
Authors: Shim Ann Hye-Ryong , Chang Rhoda Ahn , Chen Xiaoyan , Longnecker Richard , He Xiaolin
Published: July 2012

The ubiquitous EBV causes infectious mononucleosis and is associated with several types of cancers. The EBV genome encodes an early gene product, BARF1, which contributes to pathogenesis, potentially through growth-altering and immune-modulating activities, but the mechanisms for such activities are poorly understood. We have determined the crystal structure of BARF1 in complex with human macrophage-colony stimulating factor (M-CSF), a hematopoietic cytokine with pleiotropic functions in development and immune response. BARF1 and M-CSF form a high-affinity, stable, ring-like complex in both solution and the crystal, with a BARF1 hexameric ring surrounded by three M-CSF dimers in triangular array. The binding of BARF1 to M-CSF dramatically reduces but does not completely abolish M-CSF binding and signaling through its cognate receptor FMS. A three-pronged down-regulation mechanism is proposed to explain the biological effect of BARF1 on M-CSF:FMS signaling. These prongs entail control of the circulating and effective local M-CSF concentration, perturbation of the receptor-binding surface of M-CSF, and imposition of an unfavorable global orientation of the M-CSF dimer. Each prong may reduce M-CSF:FMS signaling to a limited extent but in combination may alter M-CSF:FMS signaling dramatically. The downregulating mechanism of BARF1 underlines a viral modulation strategy, and provides a basis for understanding EBV pathogenesis.
Chemically reduced graphene contains inherent metallic impurities present in parent natural and synthetic graphite
Authors: Ambrosi Adriano , Chua Chun Kiang , Khezri Bahareh , Sofer Zdeněk , Webster Richard D. , Pumera Martin
Published: July 2012

Graphene-related materials are in the forefront of nanomaterial research. One of the most common ways to prepare graphenes is to oxidize graphite (natural or synthetic) to graphite oxide and exfoliate it to graphene oxide with consequent chemical reduction to chemically reduced graphene. Here, we show that both natural and synthetic graphite contain a large amount of metallic impurities that persist in the samples of graphite oxide after the oxidative treatment, and chemically reduced graphene after the chemical reduction. We demonstrate that, despite a substantial elimination during the oxidative treatment of graphite samples, a significant amount of impurities associated to the chemically reduced graphene materials still remain and alter their electrochemical properties dramatically. We propose a method for the purification of graphenes based on thermal treatment at 1,000 °C in chlorine atmosphere to reduce the effect of such impurities on the electrochemical properties. Our findings have important implications on the whole field of graphene research.
Crystal structure of LpxK, the 4′-kinase of lipid A biosynthesis and atypical P-loop kinase functioning at the membrane interface
Authors: Emptage Ryan P. , Daughtry Kelly D. , Pemble Charles W. , Raetz Christian R. H.
Published: July 2012

In Gram-negative bacteria, the hydrophobic anchor of the outer membrane lipopolysaccharide is lipid A, a saccharolipid that plays key roles in both viability and pathogenicity of these organisms. The tetraacyldisaccharide 4′-kinase (LpxK) of the diverse P-loop–containing nucleoside triphosphate hydrolase superfamily catalyzes the sixth step in the biosynthetic pathway of lipid A, and is the only known P-loop kinase to act upon a lipid substrate at the membrane. Here, we report the crystal structures of apo- and ADP/Mg2+-bound forms ofAquifex aeolicusLpxK to a resolution of 1.9 Å and 2.2 Å, respectively. LpxK consists of two α/β/α sandwich domains connected by a two-stranded β-sheet linker. The N-terminal domain, which has most structural homology to other family members, is responsible for catalysis at the P-loop and positioning of the disaccharide-1-phosphate substrate for phosphoryl transfer on the inner membrane. The smaller C-terminal domain, a substructure unique to LpxK, helps bind the nucleotide substrate and Mg2+cation using a 25° hinge motion about its base. Activity was severely reduced in alanine point mutants of conserved residues D138 and D139, which are not directly involved in ADP or Mg2+binding in our structures, indicating possible roles in phosphoryl acceptor positioning or catalysis. Combined structural and kinetic studies have led to an increased understanding of the enzymatic mechanism of LpxK and provided the framework for structure-based antimicrobial design.
Sequence-based association and selection scans identify drug resistance loci in the
Plasmodium falciparum
malaria parasite
Authors: Park Daniel J. , Lukens Amanda K. , Neafsey Daniel E. , Schaffner Stephen F. , Chang Hsiao-Han , Valim Clarissa , Ribacke Ulf , Van Tyne Daria , Galinsky Kevin , Galligan Meghan , Becker Justin S. , Ndiaye Daouda , Mboup Souleymane , Wiegand Roger C. , Hartl Daniel L. , Sabeti Pardis C. , Wirth Dyann F. , Volkman Sarah K.
Published: July 2012

Through rapid genetic adaptation and natural selection, the
Plasmodium falciparum
parasite—the deadliest of those that cause malaria—is able to develop resistance to antimalarial drugs, thwarting present efforts to control it. Genome-wide association studies (GWAS) provide a critical hypothesis-generating tool for understanding how this occurs. However, in
P. falciparum
, the limited amount of linkage disequilibrium hinders the power of traditional array-based GWAS. Here, we demonstrate the feasibility and power improvements gained by using whole-genome sequencing for association studies. We analyzed data from 45 Senegalese parasites and identified genetic changes associated with the parasites’ in vitro response to 12 different antimalarials. To further increase statistical power, we adapted a common test for natural selection, XP-EHH (cross-population extended haplotype homozygosity), and used it to identify genomic regions associated with resistance to drugs. Using this sequence-based approach and the combination of association and selection-based tests, we detected several loci associated with drug resistance. These loci included the previously known signals at
pfcrt
,
dhfr
, and
pfmdr1
, as well as many genes not previously implicated in drug-resistance roles, including genes in the ubiquitination pathway. Based on the success of the analysis presented in this study, and on the demonstrated shortcomings of array-based approaches, we argue for a complete transition to sequence-based GWAS for small, low linkage-disequilibrium genomes like that of
P. falciparum
.
Validity evidence for the situational judgment test paradigm in emotional intelligence measurement
Authors: Libbrecht Nele , Lievens Filip
Published: July 2012

To date, various measurement approaches have been proposed to assess emotional intelligence (EI). Recently, two new EI tests have been developed based on the situational judgment test (SJT) paradigm: the Situational Test of Emotional Understanding (STEU) and the Situational Test of Emotion Management (STEM). Initial attempts have been made to examine the construct‐related validity of these new tests; we extend these findings by placing the tests in a broad nomological network. To this end, 850 undergraduate students completed a personality inventory, a cognitive ability test, a self‐report EI test, a performance‐based EI measure, the STEU, and the STEM. The SJT‐based EI tests were not strongly correlated with personality and fluid cognitive ability. Regarding their relation with existing EI measures, the tests did not capture the same construct as self‐report EI measures, but corresponded rather to performance‐based EI measures. Overall, these results lend support for the SJT paradigm for measuring EI as an ability.
Social representation of events in world history: Crosscultural consensus or Western discourse? How Turkish students view events in world history
Authors: Özer Serap , Ergün Gökçe
Published: July 2012

The perceptions of historical events are considered to be an important cultural, political, and social psychological variable. Earlier studies have shown a crosscultural consensus on historical events that are considered to be important. It has been indicated that a strong Western–Christian European template dominates the view of which events are considered to be important events in history, by many samples across the world. It was the aim of this study to test this finding with a Turkish sample, which would represent some unique characteristics in that it is Muslim, comes from an Empire background, and has undergone a recent nation‐building process. College students (n = 372) responded to a questionnaire that was utilized in seven other countries. It was shown that Turkish students were not Eurocentric as expected by the literature: They were highly sociocentric; they gave importance to events related to Turkish history. They were similar to their European counterparts in that war and violence were given primary importance when selecting events as important in history. However, they did not behave as predicted by earlier literature: They did not see Western European events as having a primary importance in history but gave at least equal importance to events that originated from Ottoman Empire roots. The results were discussed in terms of the unique cultural and historical variables that contribute to the identity and social psychological attributions of Turkish students. Further research should focus on not only which events are considered as important historical events but also the reasons behind these.
Temporal, numerical and meta-level dynamics in argumentation networks
Authors: Barringer H. , Gabbay D.M. , Woods J.
Published: July 2012

This paper studies general numerical networks with support and attack. Our starting point is argumentation networks with the Caminada labelling of three values 1=in, 0=out and ½=undecided. This is generalised to arbitrary values in [01], which enables us to compare with other numerical networks such as predator–prey ecological networks, flow networks, logical modal networks and more. This new point of view allows us to see the place of argumentation networks in the overall landscape of networks and import and export ideas to and from argumentation networks. We make a special effort to make clear how general concepts in general networks relate to the special case of argumentation networks. We pay special attention to the handling of loops and to the special features of numerical support. We find surprising connections with the Dempster–Shafer rule and with the cross-ratio in projective geometry. This paper is an expansion of our 2005 paper and so we also consider higher level features such as numerical attacks on attacks, and propagation of numerical values.We conclude with a brief view of temporal numerical argumentation and with a detailed comparison with related papers published since 2005.
Familial transmission rather than defective innate immunity shapes the distinct intestinal microbiota of TLR-deficient mice
Authors: Ubeda Carles , Lipuma Lauren , Gobourne Asia , Viale Agnes , Leiner Ingrid , Equinda Michele , Khanin Raya , Pamer Eric G.
Published: July 2012

The intestinal microbiota contributes to the development of the immune system, and conversely, the immune system influences the composition of the microbiota. Toll-like receptors (TLRs) in the gut recognize bacterial ligands. Although TLR signaling represents a major arm of the innate immune system, the extent to which TLRs influence the composition of the intestinal microbiota remains unclear. We performed deep 16S ribosomal RNA sequencing to characterize the complex bacterial populations inhabiting the ileum and cecum of TLR- and MyD88-deficient mice. The microbiota of MyD88- and TLR-deficient mouse colonies differed markedly, with each colony harboring distinct and distinguishable bacterial populations in the small and large intestine. Comparison of MyD88-, TLR2-, TLR4-, TLR5-, and TLR9-deficient mice and their respective wild-type (WT) littermates demonstrated that the impact of TLR deficiency on the composition of the intestinal microbiota is minimal under homeostatic conditions and after recovery from antibiotic treatment. Thus, differences between TLR-deficient mouse colonies reflected long-term divergence of the microbiota after extended husbandry in isolation from each other. Long-term breeding of isolated mouse colonies results in changes of the intestinal microbiota that are communicated to offspring by maternal transmission, which account for marked compositional differences between WT and mutant mouse strains.
Multiparameter Hardy space theory on Carnot-Carathéodory spaces and product spaces of homogeneous type
Authors: Han Yongsheng , Li Ji , Lu Guozhen
Published: July 2012

This paper is inspired by the work of Nagel and Stein in which the

L
p

L^p

(
1
>
p
>
∞
)

(1>p>\infty )

theory has been developed in the setting of the product Carnot-Carathéodory spaces

M
~

=

M
1

×
⋯
×

M
n

\widetilde {M}=M_1\times \cdots \times M_n

formed by vector fields satisfying Hörmander’s finite rank condition. The main purpose of this paper is to provide a unified approach to develop the multiparameter Hardy space theory on product spaces of homogeneous type. This theory includes the product Hardy space, its dual, the product

B
M
O

BMO

space, the boundedness of singular integral operators and Calderón-Zygmund decomposition and interpolation of operators. As a consequence, we obtain the endpoint estimates for those singular integral operators considered by Nagel and Stein (2004). In fact, we will develop most of our theory in the framework of product spaces of homogeneous type which only satisfy the doubling condition and some regularity assumption on the metric. All of our results are established by introducing certain Banach spaces of test functions and distributions, developing discrete Calderón identity and discrete Littlewood-Paley-Stein theory. Our methods do not rely on the Journé-type covering lemma which was the main tool to prove the boundedness of singular integrals on the classical product Hardy spaces.
GeneTalk: an expert exchange platform for assessing rare sequence variants in personal genomes
Authors: Kamphans Tom , Krawitz Peter M.
Published: July 2012

Summary: Next-generation sequencing has become a powerful tool in personalized medicine. Exomes or even whole genomes of patients suffering from rare diseases are screened for sequence variants. After filtering out common polymorphisms, the assessment and interpretation of detected personal variants in the clinical context is an often time-consuming effort. We have developed GeneTalk, a web-based platform that serves as an expert exchange network for the assessment of personal and potentially disease-relevant sequence variants. GeneTalk assists a clinical geneticist who is searching for information about specific sequence variants and connects this user to other users with expertise for the same sequence variant.

Availability: GeneTalk is available at www.gene-talk.de. Users can login without registering in a demo account.

Contact: peter.krawitz@gene-talk.de
Miracles and Revolutionary Reversals: Terry Eagleton’s Theological Turn
Authors: Geng Youzhuang
Published: July 2012

This essay explores the ‘theological turn’ of Terry Eagleton within the context of China and the Chinese academia. Eagleton has long been thought of as one of the representatives of Western Marxism in China. And though he is often seen as an advocate of so-called postmodernism by some Chinese scholars, his stance as a Marxist has never been questioned. In fact, it is precisely because of this double role that Eagleton has become such a popular contemporary Western thinker, his influence in China going well beyond the imagination of Western scholars. But most studies on Eagleton by Chinese academics focus on his ideas in relation to Marxism, such as the theory of literature production. This discussion undertakes a more comprehensive study on Eagleton’s thoughts, focusing in particular on the connection between his early studies on theology and the theological turn of his later work, within a context where the relationship between Marxism and theology increasingly attracts the interests and the attention of Chinese scholars.
A fine scale phenotype–genotype virulence map of a bacterial pathogen
Authors: van Opijnen Tim , Camilli Andrew
Published: July 2012

A large fraction of the genes from sequenced organisms are of unknown function. This limits biological insight, and for pathogenic microorganisms hampers the development of new approaches to battle infections. There is thus a great need for novel strategies that link genotypes to phenotypes for microorganisms. We describe a high-throughput strategy based on the method Tn-seq that can be applied to any genetically manipulatable microorganism. By screening 17 in vitro and two in vivo (carriage and infection) conditions for the pathogen Streptococcus pneumoniae, we create a resource consisting of >1800 interactions that is rich in new genotype–phenotype relationships. We describe genes that are involved in differential carbon source utilization in the host, as well as genes that are involved both in virulence and in resistance against specific in vitro stresses, thereby revealing selection pressures that the pathogen experiences in vivo. We reveal the secondary response to an antibiotic, including a dual role efflux pump also involved in resistance to pH stress. Through genetic-interaction mapping and gene-expression analysis we define the mechanism of attenuation and the regulatory relationship between a two-component system and a core biosynthetic pathway specific to microorganisms. Thus, we have generated a resource that provides detailed insight into the biology and virulence of S. pneumoniae and provided a road map for similar discovery in other microorganisms.
KCo(H2O)2BP2O8·0.48H2O and K0.17Ca0.42Co(H2O)2BP2O8·H2O: two cobalt borophosphates with helical ribbons and disordered (K,Ca)/H2O schemes
Authors: Guesmi Abderrahmen , Driss Ahmed
Published: July 2012

The two title compounds, potassium diaquacobalt(II) borodiphosphate 0.48-hydrate and potassium–calcium(0.172/0.418) diaquacobalt(II) borodiphosphate monohydrate, were synthesized hydrothermally. They are new members of the borophosphate family characterized by∞[BP2O8]3−helices running along [001] and constructed of boron (Wyckoff position 6b, twofold axis) and phosphorus tetrahedra. The [CoBP2O8]−anionic frameworks in the two materials are structurally similar and result from a connection in theabplane between the CoO4(H2O)2coordination octahedra (6bposition) and the helical ribbons. Nevertheless, the two structures differ in the disorder schemes of the K,Ca and H2O species. The alkali cations in the structure of the pure potassium compound are disordered over three independent positions, one of them located on a 6bsite. Its framework is characterized by double occupation of the tunnels by water molecules located on twofold rotation axes (6b) and a fraction of alkali cations; its cell parameters, compared with those for the mixed K,Ca compound, show abnormal changes, presumably due to the disorder. For the K,Ca compound, the K and Ca cations are on twofold axes (6b) and the channels are occupied only by disordered solvent water molecules. This shows that it is possible, due to the flexibility of the helices, to replace the alkali and alkaline earth cations while retaining the crystal framework.
Crystal and electronic structures of La2LiGe6−x(x= 0.21) and La2LiGe4Si2
Authors: Stetskiv Andrij , Misztal Renata , Pavlyuk Volodymyr
Published: July 2012

The synthesis and characterization of a new ternary dilanthanum lithium hexagermanide, La2LiGe6−x(x= 0.21), belonging to the Pr2LiGe6structure type, and a quaternary dilanthanum lithium tetragermanium disilicide, La2LiGe4Si2, which crystallizes as an ordered variant of this type, are reported. In both structures, Li is on a site ofmmmsymmetry. All other atoms are on sites ofm2msymmetry. These structures are new representatives of a homologous linear structure series based on structural fragments of the AlB2, CaF2and ZrSi2structure types. The observed 17-vertex polyhedra are typical for La atoms and the environment of the Li atom is cubic. Two Ge atoms are enclosed in a tetragonal prism with one added atom (nine-vertex polyhedron). The trigonal prismatic coordination is typical for Ge or Si atoms. The metallic nature of the bonding is indicated by the interatomic distances and electronic structure calculations.
Diethyl 4-(4-acetamidophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Authors: Zhao Yiliang , Hibbs David E. , Groundwater Paul W. , Wassef Abram
Published: July 2012

The title compound, C21H26N2O5, was unexpectedly obtained as a by-product in the reaction of ethyl acetoacetate, 4-acetamidobenzaldehyde and urea under microwave irradiation. The dihydropyridine ring assumes a flattened boat conformation. Intermolecular N—H...O and weak C—H...O hydrogen bonding occurs in the crystal.
Aqua[2,2′-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylato)-κ4N3,O4:N3′,O4′](pyridine-κN)cobalt(II)–4,4′-bipyridine (1/1)
Authors: Liu Wei , Li Xia
Published: July 2012

In the title compound, [Co(C13H10N4O8)(C5H5N)(H2O)]·C10H8N2, the asymmetric unit comprises half a CoIIcomplex located on a mirror plane and half a cocrystallized molecule of 4,4′-bipyridine located on an inversion center. The CoIIion is six coordinate, with distorted octahedral geometry, ligated by two N atoms and two O atoms from a 2,2′-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylate) dianion, one N atom from a pyridine molecule and one coordinating water molecule. The Co—O bond lengths range from 2.076 (2) to 2.1441 (15) Å, while the Co—N bond lengths are 2.138 (3) and 2.1515 (17) Å. A two-dimensional network of N—H...O and O—H...N hydrogen bonds stabilizes the crystal packing. There are π–π interactions between the bipyridine and imidazole rings [centroid–centroid distance = 3.7694 (4) Å]. The propane-1,3-diyl group is disordered over two conformations, with refined occupancies of 0.755 (8) and 0.245 (8).
Dibromido{2-[(4-fluorophenyl)iminomethyl]pyridine-κ2N,N′}zinc
Authors: Dehghanpour Saeed , Mahmoudi Ali
Published: July 2012

In the title complex, [ZnBr2(C12H9FN2)], the ZnIIatom has a distorted tetrahedral Br2N2coordination sphere. The organic ligand is bidentate, coordinating the ZnIIatomviatwo imine N atoms. The benzene and pyridine rings are oriented at a dihedral angle of 10.49 (1)°. In the crystal, weak C—H...F and C—H...Br hydrogen bonds are observed.
7′-Amino-1′H-spiro[cycloheptane-1,2′-pyrimido[4,5-d]pyrimidin]-4′(3′H)-one
Authors: Chen Shu , Shi Daxin , Liu Mingxing , Li Jiarong
Published: July 2012

The title compound, C12H17N5O, was obtained by cyclocondensation of 2,4-diaminopyrimidine-5-carbonitrile with cycloheptanone. The tetrahydropyrimidine ring has a distorted boat conformation and the cycloheptane ring adopts a chair conformation. In the crystal, molecules are linkedviaN—H...O and N—H...N hydrogen bonds generating a three-dimensional network.
1-(Adamantan-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Authors: Nguyen Thy M. , Fronczek Frank R. , Watkins Steven F.
Published: July 2012

The title molecule, C20H24O2, is a chalconoid derivative in which the keto–enone group is slightly distorted from planarity; the O=C—C=C torsion angle is 12.24 (13)°.
Tetramethyl anthracene-2,3,6,7-tetracarboxylate–tetramethyl 9,10-dihydro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylate (1/1)
Authors: Drake Brenton L. , Morris J. Larry , McLaughlin Mark L. , Fronczek Frank R. , Watkins Steven F.
Published: July 2012

In the title co-crystal, C22H16O10·C22H18O8, the independent tetramethyl 9,10-dihydro-9,10-dioxoanthracene-2,3,6,7-tetracarboxylate, (I), and tetramethyl anthracene-2,3,6,7-tetracarboxylate, (II), components occupy separate crystallographic inversion centers. In (II), the dihedral angles between the mean aromatic plane and the two independent carboxylate planes are 41.32 (10) and −38.35 (10)°. The methylcarboxylate groups of (I) are disordered, with each resolvable into two groups. In the least disordered carboxylate, the apparent angles between the mean aromatic plane and the two partial carboxylate planes [site occupations = 0.510 (3) and 0.490 (3)] are 16.8 (3) and 23.3 (3)°. In the highly disordered group, the apparent angles between the mean aromatic plane and the two partial carboxylate planes [site occupations = 0.510 (3) and 0.490 (3)] are 78.3 (3) and −74.1 (3)°. In addition, this extreme disorder leads to an artificially elongated C(aromatic)—C(carboxyl) bond.
2,2′-Bithiophene-3,3′-dicarbonitrile
Authors: Novina J. Josephine , Vasuki G. , Karthik Durai , Thomas K. R. Justin
Published: July 2012

The complete molecule of the title compound, C10H4N2S2, is generated by an inversion center situated at the mid-point of the bridging C—C bond. The bithiophene ring system is planar [maximum deviation = 0.003 (2) Å] and the central C—C bond length is 1.450 (2) Å. There are no significant intermolecular interactions in the crystal structure, which is stabilized by van der Waals interactions.
(S)-2-Oxotetrahydrofuran-3-aminium bromide
Authors: Sandifer Jace D. , Fronczek Frank R. , Watkins Steven F.
Published: July 2012

In the title HBr salt of (S)-homoserine lactone, C4H8NO2+·Br−, the five-membered ring has an envelope conformation, with the –CH2– C atom adjacent to the N-substituted C atom at the flap position. The four-atom mean plane (r.m.s. deviation = 0.005 Å) of the envelope forms a dihedral angle of 32.12 (9)° with the three-atom flap plane. The distorted square-pyramidal coordination about the anion involves five surrounding cations, with the square base defined by three N—H...Br hydrogen bonds [Br...N = 3.3046 (10), 3.3407 (12) and 3.3644 (13) Å] and near-contact with an H atom attached to C [Br...C = 3.739 (1) Å]. Another Br...C contact of 3.427 (1) Å defines the apex. There is also an N—H...O hydrogen bond present linking the cations.
2-(4-Bromophenyl)-N-(5-methylpyridin-2-yl)acetamide
Authors: Fun Hoong-Kun , Ooi Chin Wei , Nayak Prakash S. , Narayana B. , Sarojini B. K.
Published: July 2012

The asymmetric unit of the title compound, C14H13BrN2O, consists of two molecules; the dihedral angles between the pyridine and benzene rings are 87.99 (9) and 84.28 (9)°. An intramolecular C—H...O hydrogen bond generates anS(6) ring in each molecule. In the crystal, molecules are linkedviaN—H...N and C—H...O hydrogen bonds into a three-dimensional network. The crystal structure also features weak π–π stacking interactrions between the benzene rings [centroid-to-centroid distance = 3.6829 (12) Å].
5-Amino-3-methyl-1,2-oxazole-4-carbonitrile
Authors: Shoghpour Samad , Keykha Amir , Amiri Rudbari Hadi , Rahimizadeh Mohammad , Bakavoli Mehdi , Pourayoubi Mehrdad , Nicolò Francesco
Published: July 2012

In the title compound, C5H5N3O, the isoxazole ring is essentially planar, with a maximum deviation of 0.007 (1) Å from the least-squares plane. The N atom of the amine group exhibitssp2character (sum of bond angles around this atom = 358°). In the crystal, molecules are aggregated by two kinds of N—H...N hydrogen bonds into fusedR22(12) andR66(26) rings, forming a slightly puckered two-dimensional array lying parallel to (101).
Bis(1,2-dimethoxyethane)-1κ2O,O′;3κ2O,O′-tetrakis(μ-1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olato)-1:2κ4O:O;2:3κ4O:O-1,3-dilithium-2-magnesium
Authors: Wurst Klaus , Buchmeiser Michael R.
Published: July 2012

The title compound, [Li2Mg(C4H3F6O)4(C4H10O2)2], forms as a white crystalline powder by-product of the reaction of lithium 1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxide with Mo(N-2,6-Me2—C6H3)(CHCMe2Ph)(O3SCF3)2·2DME (DME is 1,2-dimethoxyethane) contaminated with MgCl2. The crystal structure of this compound contains half a molecule in the asymmetric unit, with a twofold rotation axis through the central Mg2+cation. The four 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate ligands serve as bridging ligands connecting the Li+and Mg2+cations. The Li+cation is additionally stabilized by a DME ligand. This results in a distorted tetrahedral ligand field around both the Mg2+and Li+cations.
Bis(adamantan-1-aminium) hydrogen phosphate fumaric acid sesquisolvate
Authors: Mrad Mohamed Lahbib , Zeller Matthias , Hernandez Kristen J. , Rzaigui Mohamed , Ben Nasr Cherif
Published: July 2012

The asymmetric unit of the title compound, 2C10H18N+·HPO42−·1.5C4H4O4, contains two adamantan-1-aminium cations, one hydrogen phosphate anion, and one and a half molecules of fumaric acid, one of which exhibits crystallographic inversion symmetry. Each HPO42−anion is hydrogen bonded,viaall of its O atoms, to four NH3+groups of the adamantan-1-aminium cations, forming chains along [100]. These chains are, in turn, interconnectedviaa set of O—H...O hydrogen bonds involving the fumaric acid solvent molecules, forming layers parallel to (001). Weak C—H...O interactions lead to a consolidation of the three-dimensional set-up.
Bis(4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5-olato-κ2O,O′)bis(ethanol-κO)cobalt(II)
Authors: Idemudia Omoruyi G. , Hosten Eric C.
Published: July 2012

The title compound, [Co(C17H13N2O2)2(C2H5OH)2], is a CoIIcomplex with two 4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5-olate (BMPP) ligands and two coordinating ethanol molecules. In the asymmetric unit, there are two half molecules, with the CoIIatoms located on inversion centres. The two cobalt complexes have slightly different geometries and in one, the ethyl group of the ethanol is disordered over two sets of sites [occupancy ratio 0.757 (7):0.243 (7)]. Each BMPP ligand is deprotonated with the negative charge delocalized. The hydroxy group of each ethanol molecule forms hydrogen bonds with a pyrazole N atom in an adjacent BMPP ligand. Weaker C—H...O and C—H...N interactions link the molecules into a three-dimensional structure.
Melaminium hydrogen malonate
Authors: Froschauer Barbara , Weil Matthias
Published: July 2012

The melaminium (2,4,6-triamino-1,3,5-triazin-1-ium) cation in the title compound, C3H7N6+·C3H3O4−, is essentially planar, with a r.m.s. deviation of the non-H atoms of 0.0085 Å. Extensive hydrogen bonding of the types N—H...N and N—H...O between cations and cations and between cations and hydrogen malonate (2-carboxyethanoate) anions leads to the formation of supramolecular layers parallel to (1-2-1). An intramolecular O—H...O hydrogen bond in the single deprotonated malonate anion also occurs.
Photo‐inactivation of Bacillus endospores: inter‐specific variability of inactivation efficiency
Authors: da Silva Raquel N. , Tomé Augusto C. , Tomé João P. C. , Neves Maria G. P. M. S. , Faustino Maria A. F. , Cavaleiro José A. S. , Oliveira Anabela , Almeida Adelaide , Cunha Ângela
Published: July 2012

The aims of this work were to (a) evaluate the susceptibility of endospores of Bacillus cereus, B. licheniformis, B. sphaericus and B. subtilis to photodynamic inactivation using a tricationic porphyrin as photosensitizer, (b) assess the efficiency of adsorption of the photosensitizer in endospore material as a determinant of the susceptibility of endospores of different Bacillus species to photo‐inactivation, (c) determine the value of B. cereus as a model organism for studies of antimicrobial photodynamic inactivation of bacterial endospores. The results of irradiation experiments with endospores of four species of Bacillus showed that B. cereus was the only species for which efficient endospore photo‐inactivation (> 3 log reduction) could be achieved. Endospores of B. licheniformis, B. sphaericus and B. subtilis were virtually resistant to photo‐inactivation with tricationic porphyrin. The amount of porphyrin bound to endospore material was not significantly different between species, regardless of the presence of an exosporium or exosporium‐like outer layer. The sensitivity of endospores to photodynamic inactivation with a tricationic porphyrin is highly variable among different species of the genus Bacillus.  The presence of an exosporium in endospores of B. cereus and B. sphaericus, or an exosporium‐like glycoprotein layer in endospores of B. subtilis, did not affect the amount of bound photosensitizer and did not explain the inter‐species variability in susceptibility to photodynamic inactivation. The results imply that the use of B. cereus as a more amenable surrogate of the exosporium‐producing B. anthracis must be carefully considered when testing new photosensitizers for their antimicrobial photo‐inactivation properties.
Nicotine metabolism and addiction among adolescent smokers
Authors: Rubinstein Mark L. , Shiffman Saul , Moscicki Anna‐Barbara , Rait Michelle A. , Sen Saunak , Benowitz Neal L.
Published: July 2012

Aims

The purpose of this study was to determine the association between the nicotine metabolic rate and smoking behavior, including addiction, in adolescent smokers.

Design

Baseline data from a prospective study of adolescent smoking behaviors and nicotine metabolism.

Setting

The setting was an out‐patient university hospital in San Francisco.

Participants

Adolescent smokers (n = 164) aged 13–17 years old.

Measurements

Participants completed self‐report measures of smoking behavior and nicotine dependence (modified Fagerström Tolerance Questionnaire: mFTQ). The nicotine metabolite ratio (NMR), a phenotypic marker of the rate of nicotine metabolism, was calculated using the ratio of concentrations of deuterium‐labeled 3′‐hydroxycotinine to cotinine‐d4.

Findings

Participants reported smoking a mean of 2.86 cigarettes per day (CPD) [median = 1.78, standard deviation (SD) = 3.35] for 1.37 years (median = 1.0, SD = 1.36). Results from multivariate analyses accounting for age, race/ethnicity, gender and duration of smoking indicated that slower metabolizers smoked more CPD than faster metabolizers (the NMR was inversely related to CPD; P = 0.02). Slower metabolizers also showed greater dependence on the mFTQ (NMR was negatively associated with the mFTQ; P = 0.02).

Conclusions

In adolescence, slower clearance of nicotine may be associated with greater levels of addiction, perhaps mediated by a greater number of cigarettes smoked.
Racial/ethnic disparities in HIV infection among people who inject drugs: an international systematic review and meta‐analysis
Authors: Des Jarlais Don C. , Bramson Heidi A. , Wong Cherise , Gostnell Karla , Cepeda Javier , Arasteh Kamyar , Hagan Holly
Published: July 2012

Aims

The Ethnic Minority Meta‐Analysis (EMMA) aims to assess racial/ethnic disparities in HIV infection among people who inject drugs (PWID) across various countries. This is the first report of the data.

Methods

Standard systematic review/meta‐analysis methods were utilized, including searching for, screening and coding published and unpublished reports and meta‐analytical statistics. We followed the Preferred Reporting Items for Systematic reviews and Meta‐Analyses (PRISMA) statement and Meta‐analysis of Observational Studies in Epidemiology (MOOSE) guidelines for reporting methods. Disparities were measured with the odds ratio (OR) for HIV prevalence among ethnic minority PWID compared to ethnic majority PWID; an OR >1.0 indicated higher prevalence among ethnic minorities.

Results

Racial/ethnic disparities in HIV prevalence among PWID were examined in 131 prevalence reports, with 214 racial/ethnic minority to majority comparisons, comprising 106 715 PWID. Overall, the pooled OR indicates an increased likelihood of higher HIV prevalence among racial/ethnic minority compared to racial/ethnic majority PWID [OR = 2.09, 95% confidence interval (CI): 1.92–2.28]. Among 214 comparisons, 106 produced a statistically significant higher OR for minorities; in 102 comparisons the OR was not significantly different from 1.0; six comparisons produced a statistically significant higher OR for majority group members. Disparities were particularly large in the United States, pooled OR = 2.22 (95% CI: 2.03–2.44). There was substantial variation in ORs—I2 = 75.3%: interquartile range = 1.38–3.56—and an approximate Gaussian distribution of the log ORs.

Conclusions

Among people who inject drugs, ethnic minorities are approximately twice as likely to be HIV seropositive than ethnic majorities. The great heterogeneity and Gaussian distribution suggest multiple causal factors and a need to tailor interventions to local conditions.
CNS effects of indomethacin: should patients be cautioned about decreased mental alertness and motor coordination?
Authors: Hegeman Judith , van den Bemt Bart , Weerdesteyn Vivian , Nienhuis Bart , van Limbeek Jacques , Duysens Jacques
Published: July 2012

Aims

In many European countries as well as in the USA, the leaflet, or even the packaging of indomethacin, contains a specific warning to refrain from activities requiring mental alertness and motor coordination, such as driving a car. In this placebo‐controlled randomized study with a crossover design we attempted to find evidence for that warning.

Methods

Indomethacin 75 mg slow release or a visually identical placebo with similar flavour was taken orally twice daily for 2.5 days. It was suggested that indomethacin affects the motor coordination required to avoid obstacles successfully during walking and that this effect will be even stronger when simultaneously performing a cognitive task that puts mental alertness to the test. Nineteen healthy middle‐aged individuals (60 ± 4.7 years, eight female) performed an obstacle avoidance task on a treadmill), combined with a cognitive secondary task. Biceps femoris (BF) muscle response times, obstacle avoidance failure rates and composite scores ((100 × accuracy)/verbal response time) were used to evaluate the data.

Results

No differences between indomethacin and placebo were found on the outcome measures regarding motor coordination, avoidance failure rates (P = 0.81) and BF response times (P = 0.47), nor on the performance on the secondary cognitive task (P = 0.12).

Conclusions

Even though surrogate methods were used, the current study provides evidence to suggest that there might be no need to caution patients who experience CNS side effects after indomethacin use to avoid activities requiring quick and adequate reactions, such as walking under challenging circumstances and maybe also driving a car.
Flurbiprofen concentration in soft tissues is higher after topical application than after oral administration
Authors: Kai Shuken , Kondo Eiji , Kawaguchi Yasuyuki , Kitamura Nobuto , Yasuda Kazunori
Published: July 2012

Aim

To compare tissue concentrations of flurbiprofen resulting from topical application and oral administration according to the regulatory approved dosing guidelines.

Method

Sixteen patients were included in this study. Each patient was randomly assigned to the topical application or oral administration group. In each group, a pair of tapes or a tablet, containing a total of 40 mg flurbiprofen, was administered twice at 16 and 2 h before the surgery.

Results

The flurbiprofen concentration in the fat, tendon, muscle and periosteum tissues was significantly higher (P < 0.0330) after topical application (992 ng g−1 [95% CI 482, 1503], 944 [95% CI 481, 1407], 492 [95% CI 248, 735], and 455 [95% CI 153, 756], respectively) than after oral administration (150 ng g−1 [95% CI 84, 217], 186 [95% CI 118, 254], 82 [95% CI 49, 116],and 221 [95% CI, 135, 307], respectively).

Conclusion

Topical application is an effective method to deliver flurbiprofen to the human body, particularly to soft tissues near the body surface.
Caring for children with physical disability in Kenya: potential links between caregiving and carers' physical health
Authors: Geere J. L. , Gona J. , Omondi F. O. , Kifalu M. K. , Newton C. R. , Hartley S.
Published: July 2012

Background  The health of a carer is a key factor which can affect the well‐being of the child with disabilities for whom they care. In low‐income countries, many carers of children with disabilities contend with poverty, limited public services and lack assistive devices. In these situations caregiving may require more physical work than in high‐income countries and so carry greater risk of physical injury or health problems. There is some evidence that poverty and limited access to health care and equipment may affect the physical health of those who care for children with disabilities. This study seeks to understand this relationship more clearly.

Methods  A mixed methods study design was used to identify the potential physical health effects of caring for a child with moderate‐severe motor impairments in Kilifi, Kenya. Qualitative data from in‐depth interviews were thematically analysed and triangulated with data collected during structured physiotherapy assessment.

Results  Carers commonly reported chronic spinal pain of moderate to severe intensity, which affected essential activities. However, carers differed in how they perceived their physical health to be affected by caregiving, also reporting positive benefits or denying detrimental effects. Carers focussed on support in two key areas; the provision of simple equipment and support for their children to physically access and attend school.

Conclusions  Carers of children with moderate‐severe motor impairments live with their own physical health challenges. While routine assessments lead to diagnosis of simple musculoskeletal pain syndromes, the overall health status and situation of carers may be more complex. As a consequence, the role of rehabilitation therapists may need to be expanded to effectively evaluate and support carers' health needs. The provision of equipment to improve their child's mobility, respite care or transport to enable school attendance is likely to be helpful to carers and children alike.
Trends in cutaneous sensitization in the first 18 years of life: results from the 1989 Isle of Wight birth cohort study
Authors: Roberts G. , Zhang H. , Karmaus W. , Raza A. , Scott M. , Matthews S. , Kurukulaaratchy R. J. , Dean T. , Arshad S. H.
Published: July 2012

Background

Skin prick testing (SPT) is fundamental to the practice of clinical allergy identifying relevant allergens and predicting the clinical expression of disease. There are only limited data on the natural history of SPT results over childhood and adolescence.

Objective

We aimed to describe the natural history of SPT and patterns of sensitization over childhood and adolescence.

Methods

The 1989 Isle of Wight birth cohort (1456 participants) was followed up at 1, 2, 4, 10 and 18 years. SPT was undertaken from 4 years.

Results

SPT was performed on 980 (80%), 1036 (75%) and 853 (65%) of participants at 4, 10 and 18 years. The prevalence of sensitization to any allergen at these time‐points was 19.7%, 26.9% and 41.3% respectively. At each time‐point, boys were significantly more likely to be sensitized (P < 0.016) and sensitization significantly increased over childhood and adolescence (average annual increase of 7%). Some children outgrew their sensitization. The rate of sensitization to most individual allergens increased over childhood and adolescence. A configural frequency analysis showed that whether an individual was sensitizated was relatively fixed over childhood and adolescence. Cluster analysis at 4 years demonstrated four major groups of individuals with similar co‐sensitization to specific allergens. Children who were sensitized at age 4 years generally went onto become sensitized to additional allergens at 10 and 18 years.

Conclusions and Clinical Relevance

Allergic sensitization continues to increase over childhood into adolescence although the majority of children who were not sensitized at 4 years remain non‐sensitized throughout childhood and adolescence. The presence of sensitization at 4 years predicted later sensitization to additional allergens.
Potential errors and misuse of statistics in studies on leakage in endodontics
Authors: Lucena C. , Lopez J. M. , Pulgar R. , Abalos C. , Valderrama M. J.
Published: July 2012

Aim

To assess the quality of the statistical methodology used in studies of leakage in Endodontics, and to compare the results found using appropriate versus inappropriate inferential statistical methods.

Methodology

The search strategy used the descriptors ‘root filling’ ‘microleakage’, ‘dye penetration’, ‘dye leakage’, ‘polymicrobial leakage’ and ‘fluid filtration’ for the time interval 2001–2010 in journals within the categories ‘Dentistry, Oral Surgery and Medicine’ and ‘Materials Science, Biomaterials’ of the Journal Citation Report. All retrieved articles were reviewed to find potential pitfalls in statistical methodology that may be encountered during study design, data management or data analysis.

Results

The database included 209 papers. In all the studies reviewed, the statistical methods used were appropriate for the category attributed to the outcome variable, but in 41% of the cases, the chi‐square test or parametric methods were inappropriately selected subsequently. In 2% of the papers, no statistical test was used. In 99% of cases, a statistically ‘significant’ or ‘not significant’ effect was reported as a main finding, whilst only 1% also presented an estimation of the magnitude of the effect. When the appropriate statistical methods were applied in the studies with originally inappropriate data analysis, the conclusions changed in 19% of the cases.

Conclusions

Statistical deficiencies in leakage studies may affect their results and interpretation and might be one of the reasons for the poor agreement amongst the reported findings. Therefore, more effort should be made to standardize statistical methodology.
Attitudes to brain donation for Parkinson's research and how to ask: a qualitative study with suggested guidelines for practice
Authors: Harris Clare , Kiger Alice , Counsell Carl
Published: July 2012

Aim

To describe factors people consider important in deciding whether or not to donate their brain for research after death.

Background

Brain tissue retrieved at post‐mortem is needed to further research into neurological conditions such as Parkinson's disease. Previous research has focussed mainly on attitudes to organ donation for transplantation.

Design

Data were gathered and analysed using a qualitative approach based on grounded theory.

Methods

Nineteen people who had made a decision about brain donation, five people with Parkinson's and 14 unaffected individuals, were identified through theoretical sampling. Interviews conducted between September 2007–January 2008 were analysed to identify themes representing the concerns of participants, when making a decision.

Findings

The three main themes identified were views and beliefs about post‐mortem, the importance of family and the things people do not talk about. Although participants were more familiar with the concept of organ donation for transplantation, unanimous support was expressed for brain donation for research. However, beliefs about death and post‐mortem, influence of family and the difficulty in talking and thinking about things to do with death all posed barriers to consent when actually asked to make a decision. For some, however, being asked had acted as a catalyst, transforming previously held positive attitudes into a decision to consent.

Conclusion

Guidelines for asking developed from these findings highlight the importance of discussing the issue to raise awareness in potential donors, involving family members, and giving accurate and appropriate information to inform, reassure and to dispel misconceptions.