bluuebunny/crossref_metadata_2025 huggingface dataset:
Initial results on plasma heating experiments in the ion cyclotron range of frequencies on EAST
Authors: Zhang X.J. , Zhao Y.P. , Wan B.N. , Gong X.Z. , Mao Y.Z. , Yuan S. , Xue D.Y. , Wang L. , Qin C.M. , Ju S.Q. , Chen Y. , Qian J.P. , Hu L. , Li J.G. , Song Y.T. , Lin Y. , Wukitch S. , Noterdaeme J.M. , Kumazawa R. , Seki T. , Saito K. , Kasahara H.
Published: March 2012

Plasma heating using fast waves was successfully performed on the Experimental Advanced Superconducting Tokamak (EAST) in the H minority regime in deuterium plasmas at 27 MHz and B
o = 2.0 T. With 1.0 MW of ion cyclotron range of frequency (ICRF) power injected at a line-averaged electron density of 4.0 × 1019 m−3, the electron temperature increased from 1.0 keV to above 2.0 keV and the loop voltage dropped. An increase in the stored energy by 30 kJ was obtained. The first H-mode plasma of 6.4 s was achieved with a combination of lower hybrid wave and ICRF heating. Density pump-out was observed during L-mode discharges at a high electron density of 4.0 × 1019 m−3. In these discharges, re-attachment of the plasma was observed when ICRF power was applied.
WHIDE—a web tool for visual data mining colocation patterns in multivariate bioimages
Authors: Kölling Jan , Langenkämper Daniel , Abouna Sylvie , Khan Michael , Nattkemper Tim W.
Published: March 2012

Motivation: Bioimaging techniques rapidly develop toward higher resolution and dimension. The increase in dimension is achieved by different techniques such as multitag fluorescence imaging, Matrix Assisted Laser Desorption / Ionization (MALDI) imaging or Raman imaging, which record for each pixel an N-dimensional intensity array, representing local abundances of molecules, residues or interaction patterns. The analysis of such multivariate bioimages (MBIs) calls for new approaches to support users in the analysis of both feature domains: space (i.e. sample morphology) and molecular colocation or interaction. In this article, we present our approach WHIDE (Web-based Hyperbolic Image Data Explorer) that combines principles from computational learning, dimension reduction and visualization in a free web application.

Results: We applied WHIDE to a set of MBI recorded using the multitag fluorescence imaging Toponome Imaging System. The MBI show field of view in tissue sections from a colon cancer study and we compare tissue from normal/healthy colon with tissue classified as tumor. Our results show, that WHIDE efficiently reduces the complexity of the data by mapping each of the pixels to a cluster, referred to as Molecular Co-Expression Phenotypes and provides a structural basis for a sophisticated multimodal visualization, which combines topology preserving pseudocoloring with information visualization. The wide range of WHIDE's applicability is demonstrated with examples from toponome imaging, high content screens and MALDI imaging (shown in the Supplementary Material).

Availability and implementation: The WHIDE tool can be accessed via the BioIMAX website http://ani.cebitec.uni-bielefeld.de/BioIMAX/; Login: whidetestuser; Password: whidetest.

Supplementary information:  Supplementary data are available at Bioinformatics online.

Contact:  tim.nattkemper@uni-bielefeld.de
Combining multiple approaches for gene microarray classification
Authors: Nanni Loris , Brahnam Sheryl , Lumini Alessandra
Published: March 2012

Motivation: The microarray report measures the expressions of tens of thousands of genes, producing a feature vector that is high in dimensionality and that contains much irrelevant information. This dimensionality degrades classification performance. Moreover, datasets typically contain few samples for training, leading to the ‘curse of dimensionality’ problem. It is essential, therefore, to find good methods for reducing the size of the feature set.

Results: In this article, we propose a method for gene microarray classification that combines different feature reduction approaches for improving classification performance. Using a support vector machine (SVM) as our classifier, we examine an SVM trained using a set of selected genes; an SVM trained using the feature set obtained by Neighborhood Preserving Embedding feature transform; a set of SVMs trained using a set of orthogonal wavelet coefficients of different wavelet mothers; a set of SVMs trained using texture descriptors extracted from the microarray, considering it as an image; and an ensemble that combines the best feature extraction methods listed above. The positive results reported offer confirmation that combining different features extraction methods greatly enhances system performance. The experiments were performed using several different datasets, and our results [expressed as both accuracy and area under the receiver operating characteristic (ROC) curve] show the goodness of the proposed approach with respect to the state of the art.

Availability: The MATHLAB code of the proposed approach is publicly available at bias.csr.unibo.it/nanni/micro.rar

Contact:  loris.nanni@unipd.it

Supplementary information:  Supplementary data are available at Bioinformatics online.
Beyond tRNA cleavage: novel essential function for yeast tRNA splicing endonuclease unrelated to tRNA processing
Authors: Dhungel Nripesh , Hopper Anita K.
Published: March 2012

Pre-tRNA splicing is an essential process in all eukaryotes. In yeast and vertebrates, the enzyme catalyzing intron removal from pre-tRNA is a heterotetrameric complex (splicing endonuclease [SEN] complex). Although the SEN complex is conserved, the subcellular location where pre-tRNA splicing occurs is not. In yeast, the SEN complex is located at the cytoplasmic surface of mitochondria, whereas in vertebrates, pre-tRNA splicing is nuclear. We engineered yeast to mimic the vertebrate cell biology and demonstrate that all three steps of pre-tRNA splicing, as well as tRNA nuclear export and aminoacylation, occur efficiently when the SEN complex is nuclear. However, nuclear pre-tRNA splicing fails to complement growth defects of cells with defective mitochondrial-located splicing, suggesting that the yeast SEN complex surprisingly serves a novel and essential function in the cytoplasm that is unrelated to tRNA splicing. The novel function requires all four SEN complex subunits and the catalytic core. A subset of pre-rRNAs accumulates when the SEN complex is restricted to the nucleus, indicating that the SEN complex moonlights in rRNA processing. Thus, findings suggest that selection for the subcellular distribution of the SEN complex may reside not in its canonical, but rather in a novel, activity.
Two centrosymmetric dinuclear phenanthroline–copper(II) complexes with 3,5-dichloro-2-hydroxybenzoic acid and 5-chloro-2-hydroxybenzoic acid
Authors: Moncol Ján , Jomová Klaudia , Porubská Mária
Published: March 2012

The title compounds, bis(μ-3,5-dichloro-2-oxidobenzoato)-κ3O1,O2:O2;κ3O2:O1,O2-bis[(3,5-dichloro-2-hydroxybenzoic acid-κO1)(1,10-phenanthroline-κ2N,N′)copper(II)], [Cu2(C7H2Cl2O3)2(C7H4Cl2O3)2(C12H8N2)2], (I), and bis(μ-5-chloro-2-oxidobenzoato)-κ3O1,O2:O1;κ3O1:O1,O2-bis[(5-chloro-2-hydroxybenzoic acid-κO1)(1,10-phenanthroline-κ2N,N′)copper(II)] ethanol monosolvate, [Cu2(C7H3ClO3)2(C7H5ClO3)2(C12H8N2)2]·C2H6O, (II), contain centrosymmetric dinuclear complex molecules in which Cu2+cations are surrounded by a chelating 1,10-phenanthroline ligand, a chelating 3,5-dichloro-2-oxidobenzoate or 5-chloro-2-oxidobenzoate anionic ligand and a monodentate 3,5-dichloro-2-hydroxybenzoic acid or 5-chloro-2-hydroxybenzoic acid ligand. The chelating benzoate ligand also bridges to the other Cu2+ion in the molecule, but the O atom involved in the bridge is different in the two complexes, being the phenolate O atom in (I) and a carboxylate O atom in (II). The bridge completes a 4+1+1 axially elongated tetragonal–bipyramidal arrangement about each Cu2+cation. The complex molecules of both compounds are linked into one-dimensional supramolecular chains through O—H...O hydrogen bonds.
3,5-Diphenyl-1,2,4-triazin-6(1H)-one: synthesis, and X-ray and DFT-calculated structures
Authors: Ejsmont Krzysztof , Kudelko Agnieszka , Zieliński Wojciech
Published: March 2012

The title compound, C15H11N3O, (I), was obtained by the air oxidation of 3,5-diphenyl-4,5-dihydro-1,2,4-triazin-6(1H)-one. In the crystal structure, (I) forms centrosymmetric hydrogen-bonded dimers through pairs of N—H...N hydrogen bonds. The molecular structure of (I) deviates somewhat from planarity in the crystalline state, whereas a density functional theory (DFT) study predicts a completely planar conformation (Cspoint-group symmetry) for the isolated molecule. The solid-state conformation of (I) is stabilized by intramolecular hydrogen bonds,viz.one C—H...O interaction, which forms a six-membered ring, and three C—H...N interactions that each form five-membered rings. To estimate the influence of the intramolecular hydrogen-bonded rings on the aromaticity of the phenyl rings, the HOMA (harmonic oscillator model of aromaticity) descriptor of π-electron delocalization has been calculated for conformations of (I) with and without intramolecular hydrogen bonds. In the planar conformation of (I), the HOMA values for both benzene rings are lower than in hypothetical conformations without intramolecular hydrogen bonds.
2-Methylsulfanyl-5,6-dihydro-2H-1,3-dithiolo[4,5-b][1,4]dioxin-2-ium tetrafluoroborate
Authors: Zhou Guoquan , Chen Xinzhi
Published: March 2012

The title compound, C6H7O2S3+·BF4−, consists of a planar 2-thioxo-1,3-dithiol-4,5-yl unit [maximum deviation from the ring plane = 0.020 (3) Å], with an ethylenedioxy group fused at the 4,5-positions; the ethylenedioxy C atoms are disordered over two positions with site-occupancy factors of 0.5. The 1,4-dioxine ring has a twist-chair conformation. Weak cation–anion S...F interactions [3.022 (4)–3.095 (4) Å] and an S...O [3.247 (4) Å] interaction are present.
(Z)-N-Methyl-2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbothioamide
Authors: Qasem Ali Amna , Eltayeb Naser Eltaher , Teoh Siang Guan , Salhin Abdussalam , Fun Hoong-Kun
Published: March 2012

In the title compound, C11H12N4OS, an intramolecular N—H...O hydrogen bond generates anS(6) ring motif. In the crystal, the molecules form a helical chain along theaaxis through an N—H...O hydrogen bond. These chains are extended by an N—H...S hydrogen bond and a C—H...π interaction into a three-dimensional network.
Bis(9-aminoacridinium) bis(pyridine-2,6-dicarboxylato)zincate(II) trihydrate
Authors: Mirzaei M. , Eshtiagh-Hosseini H. , Eydizadeh E. , Yousefi Z. , Molčanov K.
Published: March 2012

In the title compound, (C13H11N2)2[Zn(C7H3NO4)2]·3H2O, the ZnIIion is six-coordinated with the N4O2donor set being a distorted octahedron through two almost perpendicular (r.m.s. deviation of ligand atoms from the mean plane is 0.057 Å) tridentate pyridine-2,6-dicarboxylate ligands [dihedral angle between the ligands = 86.06 (4)°]. The charge is compensated by two 9-aminoacridinium cations protonated on the ring N atom. A variety of intermolecular contacts, such as ion–ion, N—H...O and O—H...O hydrogen bonds, and π–π stacking [centroid–centroid distances = 3.4907 (9)–4.1128 (8) Å], between cations and between anions, play important roles in the formation of the three-dimensional network.
(3-{[2,6-Bis(1-methylethyl)phenyl]imino-κN}-1-phenylbut-1-en-1-olato-κO)dimethylaluminium
Authors: Hao Haijun , Zhu Baichun , Yi Jianjun
Published: March 2012

The molecular structure of the title compound, [Al(CH3)2(C22H26NO)], displays a monomer with the AlIIIatom in a distorted tetrahedral environment defined by two methyl groups and the N and O atoms of the chelating ketiminate anion. The O—Al—N bite angle of the chelating ligand is 94.14 (9)°. The O—C—C—C—N backbone of the ligand is nearly coplanar (r.m.s. deviation = 0.029 Å) and the Al atom deviates significantly from the mean plane by 0.525 (3) Å. In the crystal, weak intermolecular C—H...O interactions are observed.
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate
Authors: Yousuf Sammer , Zeb Aurang , Basha Fatima Z.
Published: March 2012

In the title compound, C13H12FN3O4, the dihedral angle between the benzene and imidazole rings is 32.77 (12)°. In the crystal, molecules are linked into a three-dimensional network by C—H...O hydrogen bonds.
Bis{1-[(benzoyloxy)methyl]-1H-1,2,3-benzotriazole-κN3}(nitrato-κ2O,O′)silver(I)
Authors: Xu Sen , Shen Yingzhong
Published: March 2012

In the crystal structure of the title coordination compound, [Ag(NO3)(C14H11N3O2)2], the AgIatom is four-coordinated in a distorted tetrahedral geometry by two O atoms from one nitrate group and two N atoms from two different 1-[(benzoyloxy)methyl]-1H-1,2,3-triazole ligands. In the complex, the two coordinated benzotriazole rings rings are nearly perpendicular, the dihedral angle between their planes being 87.08 (6)°.
Diisopropyl {[(R)-2-(2-amino-6-chloro-9H-purin-9-yl)-1-methylethoxy]methyl}phosphonate
Authors: Zhao Guobao , He Xinhua , Zhong Bohua
Published: March 2012

In the title compound, C15H25ClN5O4P, the r.m.s. deviation for the purine ring system is 0.0165 Å. The coordination about the P atom is a distorted tetrahedron [O=P—O angles = 116.70 (6) and 109.87 (6)°]. In the crystal, molecules are linked by N—H...O hydrogen bonds, generating a three-dimensional network.
N,N′-[1,3-Phenylenebis(methylene)]di-p-toluenesulfonamide
Authors: Ejaz  , Khan Islam Ullah , Harrison William T. A. , Anjum Rukhsana
Published: March 2012

In the title compound, C22H24N2O4S2, the dihedral angles between the central benzene ring and the pendant rings are 66.96 (13) and 69.37 (13)°. The torsion angles for the C—N—S—C fragments are −68.5 (3) and −72.6 (3)°. In the crystal, molecules are linked by N—H...O hydrogen bonds to generate infinite (001) sheets containingR44(28) loops. A weak aromatic π–π stacking contact between one of the terminal benzene rings and its inversion-related partner is also observed [centroid-to-centroid separation = 3.796 (2) Å and slippage = 1.581 Å], as are two possible C—H...π contacts.
(R)-1,1′-Binaphthalene-2,2′-diol–(Z)-N-ethylideneethanamineN-oxide (1/1)
Authors: Shao Bo , Wang Hai-Bin
Published: March 2012

In the title compound, C4H9NO·C20H14O2, the dihedral angle between the naphthalene ring systems of the binaphthalenediol molecule is 77.53 (14)°. In the crystal, the two components are linked by O—H...O hydrogen bonds, forming a zigzag chain along thecaxis.
2-(5-Fluoro-3-isopropylsulfanyl-7-methyl-1-benzofuran-2-yl)acetic acid
Authors: Choi Hong Dae , Seo Pil Ja , Lee Uk
Published: March 2012

The title compound, C14H15FO3S, was prepared by alkaline hydrolysis of ethyl 2-(5-fluoro-3-isopropylsulfanyl-7-methyl-1-benzofuran-2-yl)acetate. In the crystal, molecules are linkedviapairs of O—H...O hydrogen bonds, forming inversion dimers. These dimers are connected by weak C—H...O hydrogen bonds.
Poly[octakis(1H-imidazole-κN3)octa-μ-oxido-tetraoxidodicopper(II)tetravanadate(V)]
Authors: Chanthee Songwuit , Saesong Tongchai , Saphu Watcharin , Chainok Kittipong , Krachodnok Samroeng
Published: March 2012

In the title inorganic–organic hybrid compound, [Cu2V4O12(C3H4N2)8]n, the VVion is tetracoordinated by four O atoms and the CuIIion is hexacoordinated by four N atoms from four imidazole ligands and two O atoms from two tetrahedral vanadate (VO4) units in a distorted octahedral geometry. The structure consists of two-dimensional sheets constructed from centrosymmetric cyclic [V4O12]4−anions covalently bound through O to [Cu(imidazole)4]2+cations. Adjacent sheets are linked by N—H...O hydrogen bonds and weak C—H...π interactions (H...centroid distances = 2.59, 2.66, 2.76, 2.91 and 2.98 Å into a three-dimensional supramolecular network.
Dimethyl 2,6-dimethyl-4-(3-phenyl-1H-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Authors: Fun Hoong-Kun , Arshad Suhana , Malladi Shridhar , Shivananda Kammasandra Nanjunda , Isloor Arun M.
Published: March 2012

In the title compound, C20H21N3O4, the 1,4-dihydropyridine ring adopts a boat conformation. An intramolecular C—H...O hydrogen bond generates anS(6) ring motif. The pyrazole ring makes dihedral angles of 87.81 (7) and 45.09 (7)° with the mean plane of the 1,4-dihydropyridine ring and the phenyl ring, respectively. In the crystal, molecules are linked by N—H...N, N—H...O and C—H...O hydrogen bonds into a three-dimensional network.
Absolute configuration of (1S,2S)-3-methyl-2-phenyl-2,3-dihydrothiazolo[2,3-b]quinazolin-5-one
Authors: Ghorab Mostafa. M. , Al-Said Mansour. S. , Abdel-Kader Maged. S. , Hemamalini Madhukar , Fun Hoong-Kun
Published: March 2012

The absolute structure of the molecule in the crystal of the title compound, C17H14N2OS, was determined by the refinement of the Flack parameter to 0.0 (2) based on 1011 Friedel pairs. The quinazoline ring is essentially planar, with a maximum deviation of 0.037 (2) Å. The thiazole ring is distorted from planarity [maximum deviation = 0.168 (2) Å] and adopts a slightly twisted envelope conformation, with the C atom as the flap atom. The central thiazole ring makes dihedral angles of 7.01 (8) and 76.80 (10)° with the quinazoline and phenyl rings, respectively. The corresponding angle between the quinazoline and phenyl rings is 3.74 (9)°. In the crystal, there are no classical hydrogen bonds but stabilization is provided by weak C—H...π interactions, involving the centroids of the phenyl rings.
3,3′-[1,2-Phenylenebis(methylene)]bis(1-octylbenzimidazolium) dibromide monohydrate
Authors: Haque Rosenani A. , Iqbal Muhammad Adnan , Fun Hoong-Kun , Arshad Suhana
Published: March 2012

In the title hydrated molecular salt, C38H52N42+·2Br−·H2O, the central benzene ring of the dication makes dihedral angles of 89.47 (13) and 72.69 (12)° with the pendant benzimidazol-3-ium rings. The conformations of the octyl side chains are completely different. In the crystal, the components are linked by O—H...Br, C—H...Br and C—H...O hydrogen bonds into a two-dimensional network lying parallel to theacplane. Aromatic π–π stacking interactions are also observed [shortest centroid-to-centroid separation = 3.5047 (16) Å].
3-(3-Chlorophenylsulfonyl)-2,5,7-trimethyl-1-benzofuran
Authors: Choi Hong Dae , Seo Pil Ja , Lee Uk
Published: March 2012

In the title compound, C17H15ClO3S, the 3-chlorophenyl ring makes a dihedral angle of 77.76 (6)° with the mean plane [r.m.s. deviation = 0.007 (1) Å] of the benzofuran fragment. In the crystal, molecules are linked by weak intermolecular C—H...O and C—H...π interactions.
(1Z,2E)-N′-{2-Chloro-1-methyl-2-[2-(4-methylphenyl)hydrazin-1-ylidene]ethylidene}-4-methoxybenzohydrazide
Authors: Abdel-Aziz Hatem A. , Ghabbour Hazem A. , Hemamalini Madhukar , Fun Hoong-Kun
Published: March 2012

The asymmetric unit of the title compound, C18H19ClN4O2, contains two molecules, in which the dihedral angles between the benzene rings are 43.60 (12) and 58.65 (13)°. The hydrazine N atoms are twisted slightly out of the planes of the tolyl and methoxybenzene rings: the C—C—N—N and N—N—C—C torsion angles are 171.1 (2) and −174.4 (2)°, respectively, for one molecule and −177.4 (2) and −170.6 (2)°, respectively, for the other. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds into chains propagating along theb-axis direction.
4-Chloroanilinium 3-carboxyprop-2-enoate
Authors: Anitha R. , Athimoolam S. , Bahadur S. Asath , Gunasekaran M.
Published: March 2012

In the title compound, C6H7ClN+·C4H3O4−, the cations and anions lie on mirror planes and hence only half of the molecules are present in the asymmeric unit. The 4-chloroanilinium cation and hydrogen maleate anion in the asymmetric unit are each planar and are oriented at an angle of 15.6 (1)° to one another and perpendicular to thebaxis. A characterestic intramolecular O—H...O hydrogen bond, forming an S(7) motif, is observed in the maleate anion. In the crystal, the cations and anions are linked by N—H...O hydrogen bonds, forming layers in theabplane. The aromatic rings of the cations are sandwiched between hydrogen-bonded chains and rings formed through the amine group of the cation and maleate anions, leading to alternate hydrophobic (z= 0 or 1) and hydrophilic layers (z= 1/2) along thecaxis.
Tricarbonylchlorido(η5-cyclopentadienyl)molybdenum(II)
Authors: Ogweno Aloice O. , Onani Martin O.
Published: March 2012

The structure of the title compound, [Mo(C5H5)Cl(CO)3], reveals a pseudo-square-pyramidal piano-stool coordination around the MoIIion, which is surrounded by a cyclopentadienyl ring, three carbonyl groups and a chloride ligand.
Ca5Zr3F22
Authors: Oudahmane Abdelghani , El-Ghozzi Malika , Avignant Daniel
Published: March 2012

Single crystals of Ca5Zr3F22, pentacalcium trizirconium docosafluoride, were obtained unexpectedly by solid-state reaction between CaF2and ZrF4in the presence of AgF. The structure of the title compound is isotypic with that of Sr5Zr3F22and can be described as being composed of layers with composition [Zr3F20]8−made up from two different [ZrF8]4−square antiprisms (one with site symmetry 2) by corner-sharing. The layers extending parallel to the (001) plane are further linked by Ca2+cations, forming a three-dimensional network. Amongst the four crystallographically different Ca2+ions, three are located on twofold rotation axes. The Ca2+ions exhibit coordination numbers ranging from 8 to 12, depending on the cut off, with very distorted fluorine environments. Two of the Ca2+ions occupy interstices between the layers whereas the other two are located in void spaces of the [Zr3F20]8−layer and alternate with the two Zr atoms along [010]. The crystal under investigation was an inversion twin.
3-(3-Chlorophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran
Authors: Choi Hong Dae , Seo Pil Ja , Lee Uk
Published: March 2012

In the title compound, C17H15ClO2S, the 3-chlorophenyl ring makes a dihedral angle of 84.48 (4)° with the mean plane [r.m.s. deviation = 0.004 (1) Å] of the benzofuran fragment. In the crystal, molecules are linked by weak C—H...O, C—H...π and C—S...π [3.414 (2) Å] interactions. The crystal structure also exhibits weak π–π interactions between the furan rings of neighbouring molecules [centroid–centroid distance = 3.826 (2), interplanar distance = 3.447 (2) and slippage = 1.660 (2) Å].
Bis{N-[(diethylamino)dimethylsilyl]anilinido-κ2N,N′}nickel(II)
Authors: Chen Juan , Li Jing
Published: March 2012

The mononuclear NiIIamide, [Ni(C12H21N2Si)2], has the NiIIatomN,N′-chelated by theN-silylated anilinide ligands. The ligands are arrangedcisto each other and obey theC2-symmetry operation. The two ends of the N—Si—N chelating unit exhibit different affinities for the metal atom: the Ni—Nanilinidebond length is 1.913 (3) Å and Ni—Namineis 2.187 (3) Å. The four-coordinate NiIIion demonstrates a distorted tetrahedral geometry.
4-Chloro-N-methylbenzamide
Authors: Yuan Juan , Liu Yan-Ju
Published: March 2012

There are two molecules in the asymmetric unit of the title compound, C8H8ClNO, which are linked in the crystal structureviaN—H...O hydrogen bonds into chains along thebaxis. C—H...O contacts also occur. The benzene ring makes dihedral angles of 5.9 (1) and 16.7 (1)°with the attached amide group in the two independent molecules.
2,2′-Dichloro-N,N′-[1,3-phenylenebis(methylene)]diacetamide
Authors: Cai Hong-Xin , Wu Wei-Na
Published: March 2012

The complete molecule of the title compound, C12H14Cl2N2O2, is generated by a crystallographic twofold axis with two C atoms of the central benzene ring lying on the axis. In the crystal, N—H...O hydrogen bonds link the molecules into chains parallel to thecaxis.
1-(Ferrocen-1-ylmethyl)-3-methylimidazol-3-ium hexafluoridophosphate
Authors: Nyamori Vincent O. , Zulu Siphesihle M. , Omondi Bernard
Published: March 2012

The crystal structure of the title compound, [Fe(C5H5)(C10H12N2)]PF6, consists of a ferrocene-1-methyl-(3-methylimidazolium) cation and a hexafluoridophosphate anion. The ferrocenyl rings are skewed by 6.7 (4)° from the ideal eclipsed conformation. The interplanar angle between the plane of the substituted cyclopentadienyl ring and that of the imidazole ring is 89.9 (4)°. The crystal packing is stabilized by C—H...F hydrogen bonds.
Aquabis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ2N2,N3](trifluoromethanesulfonato-κO)copper(II) trifluoromethanesulfonate
Authors: Bentiss Fouad , Outirite Moha , Lagrenée Michel , Saadi Mohamed , El Ammari Lahcen
Published: March 2012

2,5-Bis(pyridin-2-yl)-1,3,4-thiadiazole (denotedL) has been found to act as a bidentate ligand in the monomeric title complex, [Cu(CF3O3S)(C12H8N4S)2(H2O)](CF3O3S). The complex shows a distorted octahedrally coordinated copper(II) cation which is linked to two thiadiazole ligands, one water molecule and one trifluoromethanesulfonate anion. The second trifluoromethanesulfonate anion does not coordinate the copper(II) cation. Each thiadiazole ligand uses one pyridyl and one thiadiazole N atom for the coordination of copper. The N atom of the second non-coordinating pyridyl substituent is found on the same side of the 1,3,4-thiadiazole ring as the S atom. The trifluoromethanesulfonate ions are involved in a three-dimensional network of O—H...O hydrogen bonds. C—H...N interactions also occur.
Di-μ-chlorido-bis[aquachloridodimethyltin(IV)]–1,4,7,10,13-pentaoxacyclopentadecane (1/1)
Authors: Amini Mostafa M. , Ng Seik Weng
Published: March 2012

The Sn, Cl and water O atoms of the title compound, [Sn2(CH3)4Cl4(H2O)2]·C10H20O5, lie on a special position of 2 site symmetry. The SnIVatom showscis-C2SnCl2O trigonal–bipyramidal coordination [C—Sn—C = 157.0 (1)°]; however, two [Me2SnCl2(H2O)] units are linked by a tin–chlorine bridge [Sn←Cl = 3.247 (1) Å] across a center of inversion, generating a dinuclear species, so that the geometry is better regarded as amer-C2SnCl3O octahedron. The crown ether interacts through O—H...O hydrogen with the metal atom through the coordinated water molecules in an outer-sphere manner, generating a hydrogen-bonded chain running along [101]. The 15-crown-5 molecule is disordered over the 2/msite.
Dichloridotetrakis(1H-1,2,4-triazole-κN4)copper(II)
Authors: Vidmar Maja , Kobal Tatjana , Kozlevčar Bojan , Šegedin Primož , Golobič Amalija
Published: March 2012

The central CuIIatom of the molecular title complex, [CuCl2(C2H3N3)4], is situated on a site with symmetry 2.22. It is six-coordinated in an elongated octahedral geometry, with the equatorial plane defined by four N atoms of four 1,2,4-triazole ligands and the axial positions occupied by two Cl atoms situated on a twofold axis. The molecules are connectedviaN—H...Cl hydrogen bonds and the crystal consists of two interpenetrating three-dimensional hydrogen-bonded frameworks.
catena-Poly[[dichloridomercury(II)]-N′-nicotinoylnicotinohydrazide]
Authors: Ma Teng , Wang Yuanlu , Wang Fengliang , Li Fei
Published: March 2012

The title complex, [HgCl2(C12H10N4O2)]n, is composed of one HgIIion, one nnh ligand (nnh =N′-nicotinoylnicotinohydrazide) and two coordinated chloride ions. The HgIIion shows a distorted tetrahedral geometry, being surrounded by two N atoms from two nnh ligands and two chloride ions. Due to the bridging role of nnh, the HgIIatoms are connected into polymeric chains along thecaxis, which are further interlinkedviaN—H...O and C—H...Cl hydrogen-bonding interactions, forming a three-dimensional network.
Diaquabis(5-carboxy-2-ethyl-1H-imidazole-4-carboxylato-κ2N3,O4)cobalt(II) trihydrate
Authors: Miao Dong-Liang , Li Shi-Jie , Song Wen-Dong , Tong Shao-Wei , Ng Seik Weng
Published: March 2012

In the title compound, [Co(C7H7N2O4)2(H2O)2]·3H2O, the CoIIcation, located on an inversion center, isN,O-chelated by two 5-carboxy-2-ethyl-1H-imidazole-4-carboxylate anions and further coordinated by two water molecules in a distorted octahedral geometry. Only one carboxy group of the anion is deprotonated, and the two carboxyl groups of the same anion are linkedviaan intramolecular O—H...O hydrogen bond. One of the lattice water molecules is located on an inversion center, its H atom equally disordered over two positions. One of H atoms of another lattice water molecules is also equally disordered over two sites. Water H atoms and the amino H atom all are involved in an intermolecular hydrogen-bonded network in the crystal.
2-(2H-1,3-Benzodioxol-5-yl)-1,3-benzothiazole
Authors: Lakshmanan D. , Murugavel S. , Selvakumar R. , Bakthadoss M.
Published: March 2012

In the title compound, C14H9O2S, the benzothiazole unit is oriented at a dihedral angle of 7.1 (1)° with respect to the benzodioxole unit. The dioxole ring adopts flattened envelope conformation with the methylene C atom at the flap. The crystal packing is stabilized by π–π interactions [centroid–centroid distances = 3.705 (1) and 3.752 (1) Å], C—H...π interactions and a short S...S contact of 3.485 (1) Å.
Bis[μ-N-(3-methoxy-2-oxidobenzylidene-1:2κ2O2:O2)-L-isoleucinato-2κ2N,O]bis(1,10-phenanthroline-1κ2N,N′)dinickel(II) methanol tetrasolvate trihydrate
Authors: Li Yan , Guo Zhenghua , Dong Jianfang , Li Lianzhi
Published: March 2012

In the title complex, [Ni2(C14H17NO4)2(C12H8N2)2]·4CH3OH·3H2O, the two NiIIions are bridged by two Schiff base anions, leading to a dinuclear complex. One NiIIion is six-coordinated by four O atoms and two N atoms of two tridentate Schiff base ligands derived from the condensation of L-isoleucine ando-vanillin. The other NiIIion is six-coordinated by four N atoms of two 1,10-phenanthroline ligands and two O atoms of the Schiff base ligands. In the crystal, intermolecular O—H...O and C—H...O hydrogen bonds lead to a three-dimensional structure. Intramolecular C—H...O hydrogen bonds are also present. One of the methyl groups of the L-isoleucinate moieties is disordered over two sets of sites with an occupancy ratio of 0.687 (19):0.313 (19) and two methanol molecules are half-occupied.
Risk of second cancers after the diagnosis of non‐melanoma skin cancer in Korean patients
Authors: ROH Mi Ryung , SHIN Hyun Joon , LEE Soo Hyun , CHUNG Kee Yang
Published: March 2012

Individuals with a personal history of non‐melanoma skin cancer (NMSC) are known to have an increased risk of subsequent cancers. However, most of the studies regarding this fact were done on Caucasian populations. We investigated whether Korean patients with NMSC have an increased risk of developing second cancers compared to the general Korean population. Five hundred and thirty‐two patients diagnosed with NMSC at the Department of Dermatology of Yonsei University Health System from 1999 to 2008 were assessed for development of second cancers. The overall second cancer incidence was increased among patients diagnosed with NMSC compared with the general population in Korea: 37 second cancer total (standardized incidence ratio [SIR] 1.38, 95% confidence interval [CI] 1.10–1.90); 23 second cancers in males (SIR 4.24, 95% CI 2.69–6.36); and 14 second cancers in females (SIR 2.28, 95% CI 1.25–3.83). There were significantly increased incidence ratios for NMSC (eight second cancers [SIR 9.52, 95% CI 4.11–18.77]), bladder cancer (four second cancers [SIR 4.21, 95% CI 1.15–10.78]) and nasopharyngeal cancer (one second cancer [SIR 20.00, 95% CI: 1.51–25.33]). Korean patients diagnosed with NMSC had more second cancers, particularly other skin cancers. This study provides additional evidence that NMSC may be a clinically significant and substantial risk factor for second cancers even in a Korean population, in which the incidence of NMSC is much lower than Caucasians.
Single follicular unit transplantation reconstructs arrector pili muscle and nerve connections and restores functional hair follicle piloerection
Authors: SATO Akio , TOYOSHIMA Koh‐ei , TOKI Hiroshi , ISHIBASHI Naoko , ASAKAWA Kyosuke , IWADATE Ayako , KANAYAMA Tatsuya , TOBE Hirofumi , TAKEDA Akira , TSUJI Takashi
Published: March 2012

The autologous transplantation of hair follicles that have been separated into single follicular units is an accepted treatment for androgenetic alopecia. Recent studies demonstrate that the multiple stem cell populations and surrounding cutaneous tissues coordinately regulate the hair follicle functions and skin homeostasis. Therefore, the critical issues for consideration regarding functional hair restoration therapy are reproduction the correct connectivity and cooperation with host cutaneous tissues, including the arrector pili muscle (APM) and nerve system. We report successful establishment of mouse single follicular transplantation model and autonomous restoration of transplanted hair follicle piloerection in mouse skin. Transplanted hair follicles were responsive to the neurotransmitter acetylcholine and formed proper connections with surrounding host tissues such as APM and nerve fibers, which in turn connect with not only the hair follicle bulge region but also the APM. These results demonstrate that the piloerection ability of transplanted hair follicles can be estimated quantitatively. This study makes a substantial contribution towards the development of transplantation therapy that will facilitate future functional regeneration therapy for skin and skin appendages.
Eukaryotic translation initiation factor 4E‐mediated recessive resistance to plant viruses and its utility in crop improvement
Authors: WANG AIMING , KRISHNASWAMY SOWMYA
Published: March 2012

The use of genetic resistance is considered to be the most effective and sustainable approach to the control of plant pathogens. Although most of the known natural resistance genes are monogenic dominant R genes that are predominant against fungi and bacteria, more and more recessive resistance genes against viruses have been cloned in the last decade. Interestingly, of the 14 natural recessive resistance genes against plant viruses that have been cloned from diverse plant species thus far, 12 encode the eukaryotic translation initiation factor 4E (eIF4E) or its isoform eIF(iso)4E. This review is intended to summarize the current state of knowledge about eIF4E and the possible mechanisms underlying its essential role in virus infection, and to discuss recent progress and the potential of eIF4E as a target gene in the development of genetic resistance to viruses for crop improvement.
New prognostic markers, determined using gene expression analyses, reveal two distinct subtypes of chronic myelomonocytic leukaemia patients
Authors: Bou Samra Elias , Moreaux Jérôme , Vacheret Fabienne , Mills Ken , Rufflé Florence , Chiesa Jean , Piquemal David , Boureux Anthony , Lavabre‐Bertrand Thierry , Jourdan Eric , Commes Thérèse
Published: March 2012

Chronic myelomonocytic leukaemia (CMML) is a heterogeneous haematopoietic disorder characterized by myeloproliferative or myelodysplastic features. At present, the pathogenesis of this malignancy is not completely understood. In this study, we sought to analyse gene expression profiles of CMML in order to characterize new molecular outcome predictors. A learning set of 32 untreated CMML patients at diagnosis was available for TaqMan low‐density array gene expression analysis. From 93 selected genes related to cancer and cell cycle, we built a five‐gene prognostic index after multiplicity correction. Using this index, we characterized two categories of patients with distinct overall survival (94% vs. 19% for good and poor overall survival, respectively; P = 0·007) and we successfully validated its strength on an independent cohort of 21 CMML patients with Affymetrix gene expression data. We found no specific patterns of association with traditional prognostic stratification parameters in the learning cohort. However, the poor survival group strongly correlated with high‐risk treated patients and transformation to acute myeloid leukaemia. We report here a new multigene prognostic index for CMML, independent of the gene expression measurement method, which could be used as a powerful tool to predict clinical outcome and help physicians to evaluate criteria for treatments.
Analysis of mite allergic patients in a diverse territory by improved diagnostic tools
Authors: Barber D. , Arias J. , Boquete M. , Cardona V. , Carrillo T. , Gala G. , Gamboa P. , C. García‐Robaina J. , Hernández D. , L. Sanz M. , Tabar A. I. , Vidal C. , Ipsen H. , de la Torre F. , Lombardero M.
Published: March 2012

Background

There are few studies comparing the sensitization with mite allergens from different mite species which could potentially be the cause of allergy.

Objective

To improve the diagnosis of mite allergic patients from a diverse territory in which D. pteronyssinus/D. farinae mites together with storage mites could be present in the environment.

Methods

Four hundred and seventy‐seven patients (both children and adults) from different regions, covering the main mite prevalent areas of Spain, were recruited. sIgE to eight allergens was measured together with SPT to whole mite extracts, level of mite allergen exposure, and specific IgG4. BAT and CAST was performed in a subgroup of patients.

Results

D. pteronyssinus and L. destructor were more prevalent in Atlantic areas, whereas D. farinae predominate in Mediterranean areas. About 90% of patients were sensitized to group 1 and/or group 2 allergens. Group 2 was the most prevalent, and the IgE response/intensity of sensitization in BAT was higher. sIgE to Der p 2/Der f 2 was almost fully cross‐reactive, but no cross‐reactivity was detected with Lep d 2. Group 1 allergens were also cross‐reactive, but in some patients a species‐specific response was observed. sIgE to Lep d 2 was associated with SPT results to storage mites. Sensitization to Der p 1 was more frequent in children, whereas Lep d 2 sensitization was more frequent in adults. A higher ratio IgE/IgG4 to Der p 2 was associated with the presence of allergic asthma.

Conclusion

An improved diagnosis algorithm has been established. Group 2 allergens seem to have a leading role in mite allergy, but as group 1 sensitization could be species‐specific in some patients and its prevalence is higher in children, an adequate balance on major mite species and major allergens must be consider in the design of mite allergy vaccines.
Physical activity and circulating endothelial progenitor cells: an intervention study
Authors: Cesari Francesca , Sofi Francesco , Gori Anna M. , Corsani Ilaria , Capalbo Andrea , Caporale Roberto , Abbate Rosanna , Gensini Gian F. , Casini Alessandro
Published: March 2012

Eur J Clin Invest 2012; 42 (9): 927–932

Background  To assess the effect of a personalized physical activity programme on weight and circulating (CPC) and endothelial progenitor cells (EPC) in overweight and obese subjects.

Materials and methods  Anthropometric measurements with body composition, cardiopulmonary test, maximal stress exercise test with maximal oxygen uptake (VO2max) and a series of biochemical analyses were taken before (T0) and after 3 months of physical activity (T1) in a total of 80 overweight and obese subjects. CPC and EPC were determined using flow cytometry and were defined as CD34+, CD133+ and CD34+/CD133+ for CPC and CD34+KDR+, CD133+KDR+ and CD34+CD133+KDR+ for EPC.

Results  At the end of the programme, we divided the population into two groups, compliant individuals (group A, n = 47) and noncompliant individuals (group B, n = 33). Group A reported significant reductions of weight by 3·1% (P < 0·0001) and fat mass by 4·4% (P < 0·0001), while group B showed a percentage of increase in fat mass by 1·5% at T1. In group A, a trend of increase at T1 for circulating levels of CPC and EPC was observed, reaching the statistical significance for all the three types of EPC. On the contrary, group B showed no significant increase in CPC and EPC. Furthermore, a significant correlation between decrease in fat mass and increase in CD133+/KDR+ EPC was reported in group A (r = 0·50; P = 0·04).

Conclusion  Three months of physical activity significantly improved anthropometric measurements. A beneficial effect of increased number of EPC in compliant individuals, in relation to weight loss, was observed.
Production of zebrafish offspring from cultured spermatogonial stem cells
Authors: Kawasaki Toshihiro , Saito Kenji , Sakai Chiharu , Shinya Minori , Sakai Noriyoshi
Published: March 2012

Germ‐line stem cells have the potential to be a very powerful tool for modifying the genetic information of individual animals. As a first step to use spermatogonial stem cells (SSCs) to enable genetic modification, we here describe effective long‐term culture conditions for propagating zebrafish SSCs and for the production of offspring from these cultured SSCs after their differentiation into sperm in transplanted testicular cell aggregates. Dissociated testicular cells were cultured in specific medium with some modified supplements, including several mammalian growth factors. The spermatogonia actively proliferated and retained the expression of exogenous green fluorescent protein under the control of vas and sox17 promoters and also of promyelocytic leukemia zinc finger (Plzf), a marker of undifferentiated spermatogonia, after 1 month in culture. This is a longer period than the entire natural spermatogenic cycle (from SSCs to sperm). The use of subcutaneously grafted aggregates of these cultured spermatogonia and freshly dissociated testicular cells showed that these SSCs could undergo self‐renewal and differentiation into sperm. Artificial insemination of these grafted aggregates successfully produced offspring. This culture method will facilitate the identification of new factors for the maintenance of SSCs and enable the future enrichment of genetically modified SSCs that will produce offspring in zebrafish.
Psychological predictors of dietary intentions in pregnancy
Authors: Gardner B. , Croker H. , Barr S. , Briley A. , Poston L. , Wardle J. ,   on behalf of the UPBEAT Trial
Published: March 2012

Gardner B., Croker H., Barr S., Briley A., Poston L. & Wardle J. on behalf of the UPBEAT Trial. (2012) Psychological predicators of dietary intentions in pregnancy. J Hum Nutr Diet. 25, 345–353

Background:  Consuming a healthy diet in pregnancy has the potential to improve obstetric outcome, including minimising the risk of macrosomia. Effective promotion of dietary change depends on identifying and targeting determinants of gestational diet. The present study aimed to model psychological predictors of intentions to reduce intake of high‐fat and high‐sugar foods, and increase fruit and vegetable consumption, among pregnant women.

Methods:  One hundred and three pregnant women completed questionnaire measures of intentions to modify the consumption of the target foods, current intake, perceived vulnerability to and severity of adverse outcomes of unhealthful consumption of these foods (i.e. ‘threat’), benefits of dietary change to mother and baby, barriers to dietary changes, and social approval for dietary change (‘subjective norms’). A cross‐sectional design was used. Logistic regression analyses were undertaken to model dietary change intentions.

Results:  Participants who reported excessive current intake of high‐fat and high‐sugar foods were more likely to intend to reduce the intake of these foods. Perceived benefits for mother and baby enhanced intentions to eat more fruit and vegetables and eat less high‐fat, and marginally significantly increased high‐sugar reduction intentions. There were no effects of threat, barriers or subjective norms.

Conclusions:  Lack of effects for barriers, threat and subjective norms may indicate that pregnant women discount barriers to health‐promoting behaviour, understand the threat posed by unhealthy eating and perceive social approval from others. Dietary change interventions for pregnant women should emphasise likely positive outcomes for both mother and child.
In vitro antibody‐mediated macrophage activity on Breinlia macropi microfilariae. II. Ultrastructural and video recording investigations of adherence and cytotoxicity
Authors: YEN P. K. F. , Holt P. G. , STANLEY N. F. , PAPADI‐MITRIOU J. M. , ROBERTSON T.
Published: March 2012

Summary Video recordings and ultrastructural studies have revealed an intricate sequence of antibody‐mediated cytotoxic activity by quokka peritoneal macrophages on Breinlia macropi microfilariae. The microfilaricidal activity was effected by at least two types of macrophages measuring 17 μm and 8 μm in diameter respectively. The relatively large macrophages were responsible for trapping, encircling and eventually degrading the highly motile microfilariae in a sequence of events in which the participating macrophages may interdigitate. The smaller macrophages adhered transiently to a number of adjacent sites on the surface of a trapped microfilaria, resulting in a series of damaged spots. This activity of the small macrophages was interpreted as responsible for killing the microfilaria. Thus the microfilaricidal activity was interpreted to be accomplished by the co‐operative functions of the relatively large and small macrophages.
The alternative pathway of complement in sheep during the course of infection with Trypanosoma congolense and after Berenil treatment
Authors: MALU M.N. , TABEL H.
Published: March 2012

Summary Experimental T. congolense infections in sheep resulted in a striking decrease in parameters of the alternative complement pathway (ACP), ie. factor B, C3 and haemolytic complement activity (HA) initiated via the ACP. The levels of factor B, C3 and HA declined before, during and after the first wave of parasitemia which reached a peak at day 8. Levels of 20 to 25% of normal values (factor B) and 20% (C3, HA) persisted throughout the course of the infection. After Berenil treatment, when no parasites were detected in blood, their serum levels remained low. They returned to normal values about 8 (factor B) to 20 days (C3, HA) after trypanocidal treatment. Serum concentrations of factor B were significantly elevated in some, but not all sheep 6 days after infection with T. congolense. The sheep were tested for their potential state of immuno‐modulation by immunization with Brucella abortus 4 days after trypanocidal treatment. In contrast to other sheep, the sheep which had shown early elevated serum factor B levels were found to express immune enhancement. It is suggested that there might be a positive correlation between the degree of enhanced serum levels of factor B at the early stage of infection and enhanced immune responsiveness.
Protective immunity to malaria. Studies with cloned lines of Plasmodium chabaudi chabaudi and P. berghei in CBA/Ca mice. II. The effectiveness and inter‐ or intra‐species specificity of the passive transfer of immunity with serum
Authors: JARRA W. , HILLS L.A. , MARCH J.C. , BROWN K.N.
Published: March 2012

Summary Serum was obtained from CBA/Ca mice infected, reinfected or superinfected with parasites taken one or two syringe passages from cryopreserved reference stabilates derived from cloned lines of the AS or CB isolates of P.c. chabaudi. Serum was also collected from mice superinfected with parasites derived from a cloned line of P. berghei KSP‐11. When injected into normal syngeneic recipients subsequently challenged with homologous or heterologous parasites, these sera mediated some or all of the following modifications to the breakthrough parasitaemias which invariably occurred (i) an extension of the pre‐patent period (ii) an extension of the time taken for the parasitaemia to reach 2% (iii) a reduction of peak parasitaemia (iv) protraction of the initial peak of parasitaemia. These modifications were particularly evident with serum from superinfected mice and to a lesser extent with serum from animals reinfected once after recovery from a primary infection. Serum taken during the course of such a primary infection produced extended pre‐2% periods, other effects being only marginal. Serum mediated modifications produced by reinfection and superinfection serum appeared largely species‐specific with a limited degree of cross‐reactivity. Intraspecific specificity was also apparent with serum from P.c. chabaudi AS or CB reinfected or superinfected mice, although marginal cross‐immunity was again observed. When analysed by the fluorescent antibody technique on smears of methanol fixed parasitized erythrocytes, reinfection and superinfection sera were almost totally cross‐reactive both within and across species. Preliminary evidence that parasites breaking through the effects of these sera may constitute a phenotypic antigenic variant is presented and possible mechanisms for the parasitaemia modifying effects of the various sera discussed.