bluuebunny/crossref_metadata_2025 huggingface dataset:
Skewed genomic variability in strains of the toxigenic bacterial pathogen, Clostridium perfringens
Authors: Myers Garry S.A. , Rasko David A. , Cheung Jackie K. , Ravel Jacques , Seshadri Rekha , DeBoy Robert T. , Ren Qinghu , Varga John , Awad Milena M. , Brinkac Lauren M. , Daugherty Sean C. , Haft Daniel H. , Dodson Robert J. , Madupu Ramana , Nelson William C. , Rosovitz M.J. , Sullivan Steven A. , Khouri Hoda , Dimitrov George I. , Watkins Kisha L. , Mulligan Stephanie , Benton Jonathan , Radune Diana , Fisher Derek J. , Atkins Helen S. , Hiscox Tom , Jost B. Helen , Billington Stephen J. , Songer J. Glenn , McClane Bruce A. , Titball Richard W. , Rood Julian I. , Melville Stephen B. , Paulsen Ian T.
Published: July 2006

Clostridium perfringens is a Gram-positive, anaerobic spore-forming bacterium commonly found in soil, sediments, and the human gastrointestinal tract. C. perfringens is responsible for a wide spectrum of disease, including food poisoning, gas gangrene (clostridial myonecrosis), enteritis necroticans, and non-foodborne gastrointestinal infections. The complete genome sequences of Clostridium perfringens strain ATCC 13124, a gas gangrene isolate and the species type strain, and the enterotoxin-producing food poisoning strain SM101, were determined and compared with the published C. perfringens strain 13 genome. Comparison of the three genomes revealed considerable genomic diversity with >300 unique “genomic islands” identified, with the majority of these islands unusually clustered on one replichore. PCR-based analysis indicated that the large genomic islands are widely variable across a large collection of C. perfringens strains. These islands encode genes that correlate to differences in virulence and phenotypic characteristics of these strains. Significant differences between the strains include numerous novel mobile elements and genes encoding metabolic capabilities, strain-specific extracellular polysaccharide capsule, sporulation factors, toxins, and other secreted enzymes, providing substantial insight into this medically important bacterial pathogen.
A molecular-properties-based approach to understanding PDZ domain proteins and PDZ ligands
Authors: Giallourakis Cosmas , Cao Zhifang , Green Todd , Wachtel Heather , Xie Xiaohui , Lopez-Illasaca Marco , Daly Mark , Rioux John , Xavier Ramnik
Published: July 2006

PDZ domain-containing proteins and their interaction partners are mutated in numerous human diseases and function in complexes regulating epithelial polarity, ion channels, cochlear hair cell development, vesicular sorting, and neuronal synaptic communication. Among several properties of a collection of documented PDZ domain–ligand interactions, we discovered embedded in a large-scale expression data set the existence of a significant level of co-regulation between PDZ domain-encoding genes and these ligands. From this observation, we show how integration of expression data, a comparative genomics catalog of 899 mammalian genes with conserved PDZ-binding motifs, phylogenetic analysis, and literature mining can be utilized to infer PDZ complexes. Using molecular studies we map novel interaction partners for the PDZ proteins DLG1 and CARD11. These results provide insight into the diverse roles of PDZ–ligand complexes in cellular signaling and provide a computational framework for the genome-wide evaluation of PDZ complexes.
(1′S,2′S,5′R)-3-(2-Bromopropionyl)-2′-isopropyl-5′-methylspiro[2H-1,3-benzoxazine-2,1′-cyclohexan]-4(3H)-one
Authors: Yuan Qing , Lei Ming
Published: July 2006

The absolute configuration of the title compound, C20H26BrNO3, was determined from both the synthetic precursor and anomalous scattering effects. In the crystal structure, non-classical C—H...O hydrogen bonds link the molecules into a sheet parallel to the b axis.
[3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methanol
Authors: Yan Xiao-Chen , Wang Hai-Bo , Liu Zhi-Qian
Published: July 2006

In the title compound, C9H7ClN2O2, the occurrence of O—H...N hydrogen-bond interactions results in the formation of a pseudo-dimer arranged around an inversion center.
Bis{N-(2-hydroxybenzoyl)-N′-[1-(2-pyridyl)ethylidene}hydrazinato]copper(II)
Authors: Dang Dong-Bin , Bai Yan , Duan Chun-Ying
Published: July 2006

The title complex, [Cu(C14H12N3O2)2], consists of two deprotonated 2-acetylpyridine salicylhydrazone ligands coordinated to the copper as N,N,O-tridentate ligands, forming a neutral complex. The Cu atom lies on a twofold rotation axis. The structure is stabilized by intramolecular O—H...N hydrogen bonding, and π–π stacking interactions between the pyridyl and benzene rings lead to a two-dimensional network in the crystal structure.
Bis[(2,6-diisopropylphenyl)ammonium] ethane-1,2-disulfonate dihydrate
Authors: Samas Brian , Macikenas Dainius
Published: July 2006

The title compound, 2C12H20N+·C2H4O6S2
2−·2H2O, crystallizes with the edisylate anion situated on a center of inversion. All conventional hydrogen-bond donors and acceptors are utilized, forming two-dimensional sheets.
Aquabis(2-phenyl-1,3,7,8-tetraazacyclopenta[l]phenanthrene)copper(II) dihydrate
Authors: Che Guang-Bo , Liu Chun-Bo , Xu Zhan-Lin
Published: July 2006

In the title compound, [Cu(C19H11N4)2(H2O)]·2H2O or [Cu(L)2(H2O)]·2H2O, where HL is 2-phenyl-1H-1,3,7,8,-tetraazacyclopenta[l]phenanthrene, the CuII atom is five-coordinated by four N atoms from two L
− ligands and one O atom from one water molecule. A three-dimensional supramolecular structure is formed through π–π and hydrogen-bonding interactions.
catena-Poly[silver(I)-μ-L-phenylalaninato-κ2
N:O]
Authors: Wang Li , Pei Yamei
Published: July 2006

In the title one-dimensional polymeric structure, [Ag(C9H10NO2)]
n
, the AgI atom is bis-coordinated by an O and an N atom. Intermolecular N—H...O [H...O = 2.07 (3) Å] and C—H...O (H...O = 2.54–2.58 Å) hydrogen bonds and a weak C—H...π(arene) interaction link the polymeric chains into an extended three-dimensional framework.
Bis(2-aminopyridinium) sulfate
Authors: Jebas Samuel Robinson , Balasubramanian Thailampillai , Peschar Rene , Fraanje Jan
Published: July 2006

In the structure of the title compound, 2C5H7N2
+·SO4
2−, the S atom of the sulfate anion lies on a twofold axis. The structure is stabilized by an extensive network of N—H...O hydrogen bonds.
N-(2-Bromophenyl)-2-phenylpropanamide
Authors: Huang Jian-Ying , Xu Wei
Published: July 2006

In the title compound, C15H14BrNO, N—H...O hydrogen bonds result in the formation of a chain parallel to the c axis.
Ethyl 2-acetonyl-3-(1H-isochromen-1-yl)acrylate
Authors: Lough Alan J. , Villeneuve Karine , Tam William
Published: July 2006

In the title compound, C17H18O4, molecules related by the 21 screw axis are linked by weak intermolecular C—H...O hydrogen bonds, forming one-dimensional chains progagating along the c axis.
Dimethyl pyridine-2,6-dicarboxylate
Authors: Huang Jian-Ying , Xu Wei
Published: July 2006

The title molecule, C9H9NO4, possesses crystallographically imposed twofold rotation symmetry. In the crystal structure, the molecules are stacked into ladders extended along the c axis, with a short intermolecular O...C contact of 3.297 (2) Å. The crystal packing is stabilized by carbonyl dipolar interactions and van der Waals forces.
Poly[di-μ3-chloro-μ2-4,4′-bipyridine-dicopper(I)]
Authors: Liu Chong-Bo , Tan Sheng-Shui , Wu Zi-Sheng , Wen Hui-Liang
Published: July 2006

The structure of the title compound, [Cu2Cl2(C10H8N2)]
n
, consists of a two-dimensional layer. Each Cl atom bridges three Cu atoms to form a ladder-like structure, whereas the 4,4′-bipyridine ligands form a link between Cu atoms of adjacent ladders, thus building a two-dimensional layer structure.
Bis[2-(2-isopropylphenylimino)phenyl]mercury(II)
Authors: Flower Kevin R. , Pritchard Robin G.
Published: July 2006

The structure of the centrosymmetric cyclomercurated 2-phenyliminophenyl title compound, [Hg(C16H16N)2], has been determined at 120 (2) K. The coordination geometry at the Hg atom is essentially square planar.
(23S,25R)-3β,23-Dihydroxy-5-spirosten-3-yl acetate
Authors: Flores-Alamo Marcos , Benitez-Montelongo Montserrat , Moreno-Esparza Rafael , Iglesias-Arteaga Martin A.
Published: July 2006

In the title compound, C29H44O5, the ester substituent in ring A is equatorial. The six-membered rings A and C have chair conformations and ring B has a half-chair conformation. The B/C and C/D ring junctions are trans, whereas the tetrahydrofuran ring E is cis-fused to the cyclopentane ring D. An intermolecular O—H...O hydrogen bond is observed.
{2-[1-(N-Benzyl-N-methylamino)ethyl]ferrocenyl- κ2
N,C
1}chloro(triphenylphosphine-κP)palladium(II)
Authors: Wang Hong-Xing , Geng Feng-Ying , Wu Hong-Fei , Xu Jian , Gao Ren-Qing
Published: July 2006

The title compound, [FePd(C5H5)(C15H17N)Cl(C18H15P)], a new cyclopalladated complex, has been synthesized and structurally characterized. The PdII atom is in a slightly distorted square-planar environment. The dihedral angle between the cyclopentadienyl rings of the ferrocenyl group is 0.7 (2)°.
Ethyl 2-ethoxy-1,6-dihydropyrimidine-5-carboxylate
Authors: Liu Yu-Xiu , Zhao Qi-Qi , Song Hai-Bin , Wang Qing-Min , Huang Run-Qiu
Published: July 2006

In the title compound, C9H14N2O3, the non-H atoms are approximately coplanar. The molecules are linked through intermolecular N—H...N hydrogen bonds, forming chains that run along the b axis.
2,4-Bis(2-bromophenyl)-1,3-bis(3-nitrobenzoyl)cyclobutane
Authors: Qiu Xiao-Yang , Zhang Ying , Liu Wei-Sheng , Zhu Hai-Liang
Published: July 2006

The molecule of the title compound, C30H20Br2N2O6, has a centre of symmetry at the centroid of the planar cyclobutane ring.
(2R*,3R*,4R*)-tert-Butyl 2-(diethoxyphosphoryl)-4-nitro-3-(4-nitrophenyl)pentanoate
Authors: Krawczyk Henryk , Albrecht Łukasz , Wojciechowski Jakub , Wolf Wojciech M.
Published: July 2006

The title compound, C19H29N2O9P, was isolated as a single diastereoisomer. The molecule adopts an extended conformation with the phosphoryl and 4-nitrophenyl groups placed in antiperiplanar positions.
(E)-4-(Trifluoromethyl)benzaldehyde oxime
Authors: Jia Jiong , Wang Xi-Zhao , Zhang Yan , Wang Jian-Wu
Published: July 2006

In the title compound, C8H6F3NO, the trifluoromethyl group displays rotational disorder. The crystal packing is stabilized by intermolecular O—H...N hydrogen bonds and van der Waals forces.
Ethyl 8-benzoyl-5-oxo-7-phenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine-6-carboxylate
Authors: Yu Chu-Yi , Yan Sheng-Jiao , Huang Zhi-Tang
Published: July 2006

The geometric parameters for the title compound, C23H22N2O4, are normal. The molecules form dimeric associations via inversion-generated pairs of N—H...O hydrogen bonds.
1-Butyl-3-(4-chloro-1,3-benzothiazol-2-yl)urea monohydrate
Authors: Li Ke-Jian , Ban Shu-Rong , Cheng Xiao-Feng , Liu Hong-Jun , Chen Wen-Bin
Published: July 2006

In the crystal structure of the title compound, C12H14ClN3OS·H2O, the butyl(chlorobenzo[d]thiazolyl)urea molecule, excluding butyl H atoms, displays a roughly planar structure. The water molecules link with the urea derivative molecules via O—H...O and N—H...O hydrogen bonding.
Ethylenediammonium dichloride bis(1,10-phenanthroline) tetrahydrate
Authors: Chen Zi-Lu , Zhang Yu-Zhen , Liang Fu-Pei
Published: July 2006

The title compound, C2H10N2
2+·2Cl−·2C12H8N2·4H2O, has an inversion centre located midway between the two C atoms of the ethylenediammonium cation. The 1,10-phenanthroline molecules stack along the a axis, and are linked by π–π stacking interactions to form one-dimensional chains. These are bridged by ethylenediammonium cations, via hydrogen bonds, forming two-dimensional supramolecular sheets parallel to the ac plane. Hydrogen bonds to chloride anions and water molecules connect these two-dimensional sheets, resulting in the formation of a three-dimensional supramolecular network.
Acetophenone 2,4,6-trinitrophenylhydrazone
Authors: Shan Shang , Fan Zheng
Published: July 2006

Molecules of the title compound, C14H11N5O6, display an E configuration about the C=N bond and an intramolecular N—H...O hydrogen bond. The crystal packing is consolidated by aromatic π–π stacking and C—H...O interactions.
2-{[4-(3-Mesityl-3-methylcyclobutyl)thiazol-2-yl]hydrazono}-1,2-diphenylethanol ethanol solvate
Authors: Yüksektepe Çiğdem , Çalışkan Nezihe , Yılmaz Ibrahim , Çukurovali Alaaddin
Published: July 2006

In the title compound, C31H33N3OS·C2H6O, the dihedral angle between the least-squares planes of the thiazole and mesityl rings is 77.3 (1)°. There are intramolecular N—H...O hydrogen bonds and intermolecular O—H...N/O and C—H...O interactions.
(1S)-tert-Butyl [3-chloro-1-(3,5-difluorophenyl)propyl]carbamate: structure and absolute configuration
Authors: Ertan Anne
Published: July 2006

The title compound, C14H18ClF2NO2, crystallizes as a single enantiomer, and the absolute configuration for the chiral C atom was confirmed as S. The molecules are efficiently stacked, with no residual void for solvent inclusion.
[4-(Ferrocene-1-carboxamido)pyridine](tetraphenylporphyrinato)zinc(II) toluene sesquisolvate
Authors: Boyd Peter D. W. , Hosseini Ali
Published: July 2006

The title compound is a five-coordinate square-pyramidal zinc–porphyrin complex, [(C44H28N4)Zn(C10H9N2O)Fe(C5H5)]·1.5C7H8, with a 4-(ferrocene-1-carboxamido)pyridine apical ligand. The complexes assemble in the crystal structure by head-to-tail stacking of the 4-(ferrocene-1-carboxamido)pyridine groups, which interact through π–π stacking of the pyridine and cyclopentadienyl rings.
3-(4-Chlorophenyl)-1-(3,4-dimethyl-2,5-dihydro-1H-pyrrol-1-yl)prop-2-enone
Authors: Hu Yi-Min , Wu Feng-Hua , Qu Yuan , Zhang Xia , Song Feng-Fa
Published: July 2006

The title compound, C15H16ClNO, was produced by the reaction of N,N-diallylacrylamide with 1-bromo-4-chlorobenzene in the presence of palladium(II) acetate via an intramolecular and intermolecular C—C coupling reaction. In the crystal structure, a single weak intermolecular C—H...O interaction gives rise to extended one-dimensional chains.
(4-Pyridyl)methyl N-phenylthiocarbamate
Authors: Xiao Hai-Lian , Wang Ke-Fei , Jian Fang-Fang
Published: July 2006

The title compound, C13H12N2OS, was prepared by the reaction of (4-pyridyl)methanol with phenyl isothiocyanate and NaOH in a 1,4-dioxane solution. The asymmetric unit contains two independent molecules. The molecular structure and packing are stabilized by N—H...N intermolecular hydrogen-bond interactions and C—H...π interactions.
myo-Inositol dihydrate: a redetermination
Authors: Bonnet Arnaud , Jones William , Motherwell W. D. Samuel
Published: July 2006

The crystal structure of myo-inositol dihydrate, C6H12O6·2H2O, previously reported by Lomer, Miller & Beevers [Acta Cryst. (1963), 16, 264–268], has been redetermined, and the positions of the H atoms of the hydroxyl groups were located, showing an ordered hydrogen-bonding scheme.
2-Amino-4,6-dimethylpyrimidine–4-hydroxybenzoic acid (1/1)
Authors: Balasubramani Kasthuri , Muthiah Packianathan Thomas , Lynch Daniel E.
Published: July 2006

In the title compound, C6H9N3·C7H6O3, the 2-amino-4,6-dimethylpyrimidine and 4-hydroxybenzoic acid molecules link together via N—H...O and O—H...N hydrogen bonds to form an eight-membered R
2
2(8) ring. Further hydrogen bonds and C—H...O interactions result in the formation of a three-dimensional network.
1,2-Bis[5-(3,5-difluorophenyl)-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene: a new photochromic diarylethene compound
Authors: Liu Gang , Zheng Tong , Pu Shou-Zhi , Xu Jing-Kun
Published: July 2006

The title compound, C27H14F10S2, is a new symmetrical photochromic diarylethene derivative which can be used potentially for optical recording media and other optoelectronic device materials. The distance between the two reactive C atoms is 3.571 (4) Å. The dihedral angles between the thiophene rings and the attached benzene rings are 15.2 (6) and 24.7 (7)°.
2-Anilino-4,5-dimethyl-1,3-thiazole
Authors: Jumal Juliana , Yamin Bohari M.
Published: July 2006

In the title compund, C11H12N2S, the whole molecule is essentially planar except for methyl H atoms, with a maximum deviation of 0.160 (2) Å for the aniline N atom. The molecule is stabilized by π–π interactions and intermolecular N—H...N hydrogen bonds, which produce dimers located about the crystallographic twofold rotation axes.
Bis(methylammonium) tetrathiomolybdate(VI)
Authors: Srinivasan Bikshandarkoil R. , Näther Christian , Naik Ashish R. , Bensch Wolfgang
Published: July 2006

The structure of the title complex, (CNH6)2[MoS4], consists of tetrahedral tetrathiomolybdate dianions, [MoS4]2−, and two crystallographically independent methylammonium cations, MeNH3
+, all of which are located on mirror planes. The tetrathiomolybdate anions are linked to the organic cations via hydrogen bonding.
1-(4-Chlorophenyl)-3-(4-methylbenzoyl)thiourea
Authors: Saeed Aamer , Flörke Ulrich
Published: July 2006

In the structure of the title compound, C15H13ClN2OS, the dihedral angle between the two aromatic ring planes is 30.46 (8)°. Intermolecular N—H...S hydrogen bonds link the molecules into dimeric units which are stacked along [010].
3-(Thiazol-2-ylamino)isobenzofuran-1(3H)-one
Authors: Odabaşoğlu Mustafa , Büyükgüngör Orhan
Published: July 2006

The crystal structure of the title compound, C11H8N2O2S, is stabilized by one N—H...N and two C—H...O intermolecular hydrogen bonds and also by three C—H...π interactions. The C—H...O hydrogen bonds generate R
4
4(26) ring motifs and the N—H...N and one of the C—H...O hydrogen bonds generate R
4
3(26) ring motifs. The phthalide ring system of the molecule is almost planar and forms a dihedral angle of 74.84 (9)° with the thiazole ring.
(E)-Dimethyl 4-(ethylamino)-5-styrylfuran-2,3-dicarboxylate
Authors: Xu Fada , Ma Cheng , Zhang Yi-Ping
Published: July 2006

The title compound, C18H19NO5, synthesized via a thiazole carbene-mediated multicomponent reaction, has a crystal structure stabilized by π–π stacking interactions involving the phenyl and furan rings.
Poly[μ-aqua-aqua(μ4-2-oxidobenzene-1,3-dicarboxylato)(μ2-2-oxidobenzene-1,3-dicarboxylato)cadmium(II)dicopper(II)]
Authors: Yang E , Yang Fa-Fu , Chen Shun-Yu
Published: July 2006

In the molecule of the title compound, [CdCu2(C8H3O5)2(H2O)2]
n
, each 2-oxidobenzene-1,3-dicarboxylate trianion is bonded to two Cu atoms through O atoms of the carboxylates and the deprononated hydroxy group in chelating mode, forming [Cu2(C8H3O5)2]2− units. A pair of [Cu2(C8H3O5)2]2− units is then coordinated to each Cd atom, forming an infinite chain. The crystal structure is stabilized by intermolecular O—H...O hydrogen bonds.
(aR,1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (4-tert-butylcyclohexylidene)acetate
Authors: Wu Jin-Long
Published: July 2006

In the molecule of the title compound, C28H42O2, the two cyclohexane rings adopt chair conformations. The olefinic bond and carbonyl group are approximately coplanar.
Pentacarbonyl[methyl(n-propylsulfanyl)carbene]chromium(0)
Authors: Esterhuysen Catharine , Even Julia , Esterhuysen Matthias W. , Horvath Ulrike E. I. , Stander Elzet , Raubenheimer Helgard G.
Published: July 2006

The title compound, [Cr(C5H10S)(CO)5], comprises a methyl(n-propylsulfanyl)carbene ligand coordinated to a pentacarbonylchromium fragment, with the Cr atom in an octahedral coordination.
N-Benzyl-1-(dimethylamino)-2-methyl-1-oxopropan-2-aminium bromide
Authors: Tuzina Pavel , Fischer Andreas , Somfai Peter
Published: July 2006

The title compound, C13H21N2O+·Br−, was crystallized from a CH2Cl2 solution of N
2,N
2-dibenzyl-N,N,2-trimethylalaninamide and BBr3. The geometry of the cation is unexceptional. Intermolecular N—H...O and N—H...Br hydrogen bonds link two cations and two anions into a hydrogen-bonded cluster. The crystal packing is further stabilized by van der Waals forces.
Hydrogen-bonding patterns in 2-amino-4,6-dimethoxypyrimidine–4-aminobenzoic acid (1/1)
Authors: Thanigaimani Kaliyaperumal , Muthiah Packianathan Thomas , Lynch Daniel E.
Published: July 2006

In the title cocrystal, C6H9N3O2·C7H7NO2, the 2-amino-4,6-dimethoxypyrimidine molecule interacts with the carboxyl group of the 4-aminobenzoic acid molecule through N—H...O and O—H...N hydrogen bonds, forming a cyclic hydrogen-bonded motif [R
2
2(8)]. This motif further self-organizes through N—H...O hydrogen bonds to generate an array of six hydrogen bonds with the rings having the graph-set notation R
2
3(6), R
2
2(8), R
4
2(8), R
2
2(8) and R
2
3(6). The 4-aminobenzoic acid molecules self-assemble via N—H...O hydrogen bonds to form a supramolecular chain along the c axis.
N,N′-Bis[2-(dimethylammonio)ethyl]oxamide dinitrate
Authors: Sun Wei , Li Yan-Tuan , Wu Zhi-Yong , Song Yu-Lan
Published: July 2006

In the crystal structure of the title compound, C10H24N4O2
2+·2NO3
− or [H4dmaeoxd](NO3)2 {H2dmaeoxd is N,N′-bis[2-(dimethylamino)ethyl]oxamide}, the diprotonated H4dmaeoxd dication occupies a special position on an inversion centre and exhibits a transoid conformation. The six non-H atoms of the oxamide group are almost exactly coplanar. Two symmetry-independent NH groups of the dication form hydrogen bonds with two O atoms belonging to one NO3
− anion. Four independent C—H...O interactions link dications and anions into an infinite three-dimensional system.
catena-Poly[[silver(I)-μ-1,4-bis(2-methyl-1H-imidazol-1-ylmethyl)benzene-κ2
N
3:N
3′] nitrate]
Authors: Dobrzańska Liliana , Lloyd Gareth O.
Published: July 2006

In the title complex, {[Ag(C16H18N4)]NO3}
n
, the cationic part forms infinite chains where the AgI ions are coordinated in a slightly bent fashion by two N-donor atoms of imidazole rings of two distinct ligand molecules. The nitrate anions interact weakly with the silver cations to form infinite strands running in the c-axis direction, approximately perpendicular to the cationic chains. The resulting layers are stabilized by offset π–π interactions between benzene rings. Furthermore, a set of C—H...O and π–π interactions (imidazole rings) between adjacent layers results in the formation of a three-dimensional assembly.
Methyl 3-amino-1-(3-nitrophenyl)-1H-naphtho[2,1-b]pyran-2-carboxylate
Authors: Guo Cheng , Zhang Dong-Mei , Tang Qing-Gang , Zha Jun-Jie
Published: July 2006

The title compound, C21H16N2O5, was synthesized by the reaction of 2-naphthol with methyl cyanoacetate and 3-nitrobenzaldehyde in ethanol under microwave irradiation. The pyran ring adopts a boat conformation.
11,18-Diphenoxy-3,26-dioxa-13,16-diazahexacyclo[26.2.2.04,9.010,13.016,19.020,25]dotriaconta-1(31),4,6,8,20,22,24,28(32),29-nonaene-12,17-dione
Authors: Gayathri D. , Latha D. , Velmurugan D. , Ravikumar K. , Arumugam M.
Published: July 2006

The crystal structure of the title compound, C30H34N2O6, is stabilized by C—H...O interactions. The C—H...O interactions result in the formation of a centrosymmetric dimer and a chain of glide-related molecules.
trans-Carbonylchlorobis[diphenyl(4-tolyl)phosphine]rhodium(I)
Authors: Kirsten Leo , Steyl Gideon , Roodt Andreas
Published: July 2006

The title compound, [RhCl(C19H17P)2(CO)], can be characterized as a Vaska-type complex containing a diphenyl(4-tolyl)phosphine ligand. The rhodium(I) metal centre has a square-planar coordination. The molecule is disordered, with the Rh atom lying on an inversion centre. The most important bond lengths and angles include Rh—P = 2.3315 (9) Å, Rh—Cl(trans CO) = 2.405 (2) Å, Rh—C(carbonyl) = 1.724 (11) Å and Rh—C—O = 178.0 (6)°.
(4-Chlorophenyl)diphenylamine
Authors: Guo Zhi-Qiang , Jin Shuo , Liu Bo
Published: July 2006

The title compound, C18H14ClN, is an intermediate in the preparation of a hole-transporting material. The molecule is constructed from three benzene ring systems through C—N bonds.
Poly[bis[[4-(1H-1,3,7,8-tetraazacyclopenta[l]phenanthren-2-yl)phenol-κ2
N
7,N
8]manganese(II)]-di-μ3-benzene-1,3-dicarboxylato-κ4
O:O′:O′′,O′′′]
Authors: Che Guang-Bo
Published: July 2006

In the title complex, [Mn2(C8H4O4)2(C19H12N4O)2]
n
, the MnII atom is six-coordinated by two N atoms from the substituted phenanthroline ligand and four O atoms from three different benzene-1,3-dicarboxylate (1,3-BDC) ligands. Adjacent MnII atoms are bridged by the 1,3-BDC ligands to form a double-chain structure which, in turn, is linked to neighboring double chains via π–π contacts to form a two-dimensional supramolecular structure.
7-(p-Tolylsulfonyl)-7-azabicyclo[4.1.0]heptane
Authors: Yang Zhen , Zhang Ming-Jie , Zhu Jie
Published: July 2006

The title compound, C13H17NO2S, is an aziridination product of cyclohexene using chloramine-T as a substrate. The aziridine ring is axially bound to the cyclohexane ring, which has a disordered half-chair-like conformation.
Estimating the duration of common elective operations: implications for operating list management
Authors: Pandit J. J. , Carey A.
Published: July 2006

Over‐running operating lists are known to be a common cause of cancellation of operations on the day of surgery. We investigated whether lists were overbooked because surgeons were optimistic in their estimates of the time that operations would take to complete. We used a questionnaire to assess the estimates of total operation time of 22 surgeons, 35 anaesthetists and 16 senior nursing staff for 31 common, general surgical and urological procedures. The response rate was 66%. We found no difference between the estimates of these three groups of staff, or between these estimates and times obtained from theatre computer records (p = 0.722). We then applied the average of the surgeons' estimates prospectively to 50 consecutive published surgical lists. Surgical estimates were very accurate in predicting the actual duration of the list (r2 = 0.61; p < 0.001), but were poor at booking the list to within its scheduled duration: 50% of lists were predictably overbooked, 50% over‐ran their scheduled time, and 34% of lists suffered a cancellation. We suggest that using the estimates of operating times to plan lists would reduce the incidence of predictable over‐runs and cancellations.
The effect of caudal block on functional residual capacity and ventilation homogeneity in healthy children*
Authors: Von Ungern‐Sternberg B. S. , Regli A. , Frei F. J. , Hammer J. , Schibler A. , Erb T. O.
Published: July 2006

Caudal block results in a motor blockade that can reduce abdominal wall tension. This could interact with the balance between chest wall and lung recoil pressure and tension of the diaphragm, which determines the static resting volume of the lung. On this rationale, we hypothesised that caudal block causes an increase in functional residual capacity and ventilation distribution in anaesthetised children. Fifty‐two healthy children (15–30 kg, 3–8 years of age) undergoing elective surgery with general anaesthesia and caudal block were studied and randomly allocated to two groups: caudal block or control. Following induction of anaesthesia, the first measurement was obtained in the supine position (baseline). All children were then turned to the left lateral position and patients in the caudal block group received a caudal block with bupivacaine. No intervention took place in the control group. After 15 min in the supine position, the second assessment was performed. Functional residual capacity and parameters of ventilation distribution were calculated by a blinded reviewer. Functional residual capacity was similar at baseline in both groups. In the caudal block group, the capacity increased significantly (p < 0.0001) following caudal block, while in the control group, it remained unchanged. In both groups, parameters of ventilation distribution were consistent with the changes in functional residual capacity. Caudal block resulted in a significant increase in functional residual capacity and improvement in ventilation homogeneity in comparison with the control group. This indicates that caudal block might have a beneficial effect on gas exchange in anaesthetised, spontaneously breathing preschool‐aged children with healthy lungs.
Flexibility and light emission of disposable paediatric Miller 1 laryngoscope blades*
Authors: Goodwin N. , Wilkes A. R. , Hall J. E.
Published: July 2006

With the emergence of Creutzfeldt‐Jakob disease and the discovery of prions in tonsillar material, there has been an increase in the number of available disposable laryngoscope blades. This has led to non‐conformity over many aspects of blade design. Miller 1 disposable blades have been produced in both metal and plastic and appear to have different properties of rigidity. We examined the rigidity of 11 disposable Miller 1 blades in three different axes of force. There was a significant difference in flexibility between metal and plastic blades in both primary and torsional axis (p = 0.006). We also studied the blades' light intensity and angle of light emission, finding up to an eightfold difference in the level of illumination provided at a distance of 10 mm from the tips of the blades. The area of maximal illumination varied, with some blades providing narrow beams of light, and others provided a more dispersed field of illumination. In addition, the angle of maximal illumination varied between the blade types from a central position to one directed to the right‐hand side.
The clinical outcome and toxicity of high‐dose chemotherapy and autologous stem cell transplantation in patients with myeloma or amyloid and severe renal impairment: a British society of blood and marrow transplantation study
Authors: Bird Jennifer M. , Fuge Rhian , Sirohi Bhawna , Apperley Jane F. , Hunter Ann , Snowden John , Mahendra Premini , Milligan Donald , Byrne Jenny , Littlewood Timothy , Fegan Christopher , McQuaker Grant , Pagliuca Antonio , Johnson Peter , Rahemtulla Amin , Morris Curly , Marks David I.
Published: July 2006

The outcome of high‐dose chemotherapy (HDT) was evaluated retrospectively in 27 patients with myeloma and four patients with AL amyloidosis with severe renal impairment. Twenty‐three patients were receiving dialysis and the rest had a creatinine clearance of <20 ml/min. The median melphalan dose was 140 mg/m2 (range: 60–200 mg/m2), but 10 patients (37%) received 200 mg/m2. Myeloid and platelet engraftment were similar to that seen in patients without renal failure. Five of 27 patients died of transplant‐related toxicity before the day 100. Twenty of 27 patients had a response (70%). The median time to disease progression was 32 months (range: 6–54 months) and the median time to best response was 6·5 months. Four of 17 evaluable patients (24%) became dialysis‐independent at a median of 5 months post‐HDT/stem cell transplantation. At a median follow‐up of 70 months, 7/23 patients with myeloma were alive but three of these seven patients had progressive disease. Two of the four patients with amyloidosis have survived. HDT is feasible in these patients and results in 5‐year survival in about one‐third of patients.
The role of Janus kinases in haemopoiesis and haematological malignancy
Authors: Khwaja Asim
Published: July 2006

The production of blood cells is regulated by a number of protein growth factors and cytokines that influence cell survival, proliferation and differentiation. Many of these molecules bind to cell surface receptors, which belong to a family of closely related cytokine receptors that lack intrinsic catalytic activity but are intimately associated with tyrosine kinases of the Janus kinase (JAK) family. Ligand binding induces the activation of JAKs, which sit at the apex of a signalling cascade in which a key role is played by members of the signal transducers and activators of transcription (STAT) group. Congenital deficiencies in JAK–STAT signalling are associated with immunodeficiency states and acquired activating mutations and translocations are involved in the pathophysiology of haematological malignancy. The latter findings have raised hopes that drugs that target aberrant JAK–STAT signalling may be useful for the treatment of human disease.
Comparative analysis of proliferative potential and clonogenicity of MACS‐immunomagnetic isolated CD34+ and CD133+ blood stem cells derived from a single donor
Authors: Freund D. , Oswald J. , Feldmann S. , Ehninger G. , Corbeil D. , Bornhäuser M.
Published: July 2006

Abstract.  A novel stem cell marker prominin‐1 (CD133) has been shown to be expressed on a subpopulation of CD34+ haematopoietic stem and progenitor cells. The aim of this study was to compare in parallel commercially available CD34+ and CD133+ isolation methods based on paramagnetic bead‐coupled antibodies using clinical‐grade samples of mobilized peripheral blood from 10 individual healthy donors under identical conditions. The CD133 negative fraction from the first selection was used for CD34+ enrichment to obtain an additional CD34+/CD133− population. Although no significant difference in total cell expansion between cells isolated from the three procedures was observed in a 7‐day cytokine‐driven suspension culture, the long‐term culture‐initiating cell assay demonstrated that cells derived by CD34+ isolation contain less primitive progenitors than those isolated based on CD133+ selection. Interestingly, CD34+‐enriched progenitors, especially the CD34+/CD133− fraction, contained a significantly higher proportion of erythroid colony‐forming cells, whereas the highest content of myeloid colony‐forming cells was concentrated in the CD133+ selected cells. These subtle differences between CD34+ and CD133+ immunomagnetic selection will have to be explored for their potential clinical relevance.
The use of intensive family preservation services with adoptive families
Authors: Berry Marianne , Propp Jennifer , Martens Priscilla
Published: July 2006

With the increase in special needs adoption, there is growing concern about the adjustment of these children and families beyond legalization. The purpose of this study was to explore in greater depth the use of intensive family preservation services with adoptive families and the factors related to the family’s ability to stay intact beyond services. Multiple regression analyses were used to determine factors that were predictive of the family’s ability to remain intact at 6 and 12 months post services. Potential predictors of family intactness included child characteristics, family characteristics, previous placement history and service characteristics. Results at 6 months found no significance in the full model; however, the individual factors of ethnic origin of the child, full‐time employment of the primary parent and initial placement reason were significant predictors of family intactness. At 12 months post services, the full model was highly significant, with service characteristics being the greatest predictor of the family’s ability to remain intact.
House dust acarofauna and Der p I equivalent in Australia: the relative importance of Dermatophagoides pteronyssinus and Euroglyphus maynei
Authors: COLLOFF M. J. , STEWART G. A. , THOMPSON P. J.
Published: July 2006

The acarofauna and Der p I allergen concentrations in dust samples from mattresses and lounge room carpets obtained from 20 homes from two coastal cities, Perth and Bunbury, were determined. All samples were shown to contain mites and the geometric mean numbers of total mites/g of mattress and carpet dust for Perth and Bunbury were 480 and 263, and 585 and 992, respectively. Carpets from both centres had a significantly (P < 0.02) greater mean number of mite species (Perth 9.1, Bunbury 9.0) than mattresses (Perth 5.2, Bunbury 5.7). The predominant mite species were D. pteronyssinus, E. maynei and Tarsonemus spp. D.farinae was found to be absent from all dust samples examined. E. maynei was present in the 10 Bunbury homes and in 50% of the Perth homes, ranging from 0 to 81% of mites identified. The arithmetic mean Der p I concentrations in the mattresses and carpets in Perth and Bunbury were 4.2 and 4.1, and 3.8 and 9.2 μg/per gram of fine dust, respectively, and Der p I concentration correlated with mite counts (r = 0.75; P < 0.001). The concentration of Der p I equivalent per 100 mites was 1.5 μg. The data are consistent with the view that asthmatic patients in Western Australia have significant exposure to a variety of house dust mites and that E. maynei may be clinically significant.
Isolation and in vitro translation of messenger RNA from the American cockroach
Authors: WU C‐H. , LEE M‐F. , YIN S‐C.
Published: July 2006

Total RNA was extracted from the whole body of American cockroach Periplaneta americana) using chaotropic salt guanidine isothiocyanate in the presence of 2‐mercaptoethanol (2‐ME). Polyadenylated mRNA was isolated by oligothymidylic acidcellulose chromatography and mRNA was translated using a rabbit reticulocyte lysate system. The translation, as judged by the incorporation of‐S‐tnethionine, was obtained with poly(A)‘*’RNA, where an approximately 9‐5‐fold increase in label incorporation over control was achieved. Analysis of translation products by sodium dodecyl sulphate‐polyacrylamide gel electrophoresis (SDS‐PAGE) in combination with autoradiography showed that many proteins with apparent molecular weights ranging from 12 to 200 kD were synthesized, and no labelled proteins were found with negative RNA control and poly(A) RNA. Immunoprecipitation studies performed using polyclonal and monoclonal antibodies revealed that synthesized proteins of MW 90, 78, 72, 49, 45, and 26 kD corresponded with previously identified principal and major allergens of American cockroach from our laboratory. In addition, the allergenicity of the translation mixtures was also confirmed by fluoroallergosorbent test (FAST) inhibition studies with IgE antibodies of human reaginic serum pool.
Seasonal enhancement of IL‐4 induced IgE synthesis by peripheral blood mononuclear cells of atopic patients
Authors: GAGNON R. , LIAN JING , BOUTIN Y. , HÉBERT J.
Published: July 2006

The role of IL‐4 on IgE synthesis has been well established. IL‐4 has been shown to promote IgE production by B cells from atopic and non‐atopic donors. In this study, the effects of natural exposure to pollens on IL‐4‐indueed IgE synthesis by peripheral blood mononuclear cells of atopic and non‐atopic donors were examined. The results confirm production of IgE in an IL‐4 dose‐dependent manner by PBMC cultures of these two groups. When cultures were performed out of the pollen season, following stimulation by IL‐4, no significant difference was observed between the levels of IgE produced by PBMC of atopic and non‐atopic donors. In contrast, upon natural exposure to pollens, significant higher levels of IgE were measured in the atopic group than in the non‐atopic one. These results show that the policn season infiuences the IL‐4‐induced IgE synthesis by PBMC of allergic patients and are in keeping with seasonal rise of specific IgE antibodies.
Histamine content, synthesis and degradation in nasal mucosa and lung of guinea‐pigs treated with toluene diisocyanate (TDI)
Authors: Abe Y. , Ogino S. , Irifune M. , Imamura I. , Liu Y. Q. , Fukui H. , Matsunaga T.
Published: July 2006

We have reported the presence of a histamine synthesizing enzyme, histidine decarboxylase (HDC), and histamine degrading enzymes, histamine N‐methyltransferase (HMT) and histaminase (diamine oxidase, DAO) in human nasal mucosa and the histamine content of the mucosa. In this study, we demonstrate the influences of the toluene diisocyanate (TDI) treatment on the histamine content and these enzyme activities in guinea‐pigs as an animal model of respiratory hypersensitivity. Application of TDI to the nasal vestibuli induced intense nasal allergy‐like and mild asthma‐like responses in TDI‐sensitized guinea pigs. Increases in the histamine content and HDC and HMT activities were observed in the nasal mueosa and lung of TDI‐sensitized guinea pigs. No apparent changes in the histaminase activities were observed in either the nasal mucosa or the lung. These data suggest that the turnover rate of histamine is increased in the nasal mucosa and the lung of guinea pigs with respiratory hypersensitivity.
The use ofdomestic steam cleaning for the control of house dust mites
Authors: COLLOFF M. J. , TAYLOR C. , MERRETT T. G.
Published: July 2006

Background
Control of dust mites using extremes of temperature is un alternative to the use of acaricides. In ihe past we have attempted control by freezing with liquiid nitrogen. The present paper deals with the opposite exlrcnic, the use of steam.

Objective
To assess the feasibility inid effectiveness of a domestic steam cleaner for the control of dust mites. its effect on mite populations and concentrations of the allergen Der p I.

Methods
A domestic steam cleaner was used to treat earpet squares that had been seeded in the laboratory with known numbers of dust mites (Dermatophagoides pterpmussomis). The number of live mites was monitored for a period of 4 months in eight treated earpet squares and eight controls. Dust samples were taken from 12 standardized areas of carpet in a tenement flat in Glasgow, UK., before and after steam cleaning treatmet. and the concentration of allergen Der p 1 was compared with 12 adjacent. control areas.

Results
No live mites were found at any time in the treated carpet squares, whereas in the control squares geometric mean mite population density rose frotn 11 after 3 days to 39 after 1 month, 66 after 2.122 after 3 and 185 after 4 months. There was a mean reduetion of 8.7% in Der p I concentration (3.3‐0.44 μg/g) compared with a reduction of 4.7% (2.22‐2.l16μg/g) in control areas, a difference that was statistically significant at the 5% level.

Conclusion
These data indicate that steam cleaning has considerable potential as an highly effective and efficient method of killing dust mites and reducing concentrations of Der p 1 in domestic premises.
Eosinophil cationic protein(ECP) and eosinophil protein X (EXP) concentrations in serum and bronchial lavage fluid in asthma. effect of prednisolone treatment.
Authors: Robinson D. S. , Assoufi B. , Durham S. R. , Kay A. B.
Published: July 2006

Background
Eoswinophil granule proteins may contribute to hyperresponsiveness in asthma.

Objective
To measure eosinophil cationic protein (ECP) and eosinophil protein X (EPX) in sereum and bronchial lavage fluid from 20 asthmatics and 16 control subjects. To asses the effect on these eosinophil proteins of corticosteroid treatment of asthma. To determine ehether serum ECP and EPX measured weekly in a longitudina study for 10 weeks reflected changes in lung function.

Methods
Eosinophil granule proteins were measured by radiommunoassy of bronchial wash (BW), bronchoalveolar lavage (BAL) serum.

Results
Eosinophils were elevated in BAL(P<0.01), BW (P<0.01) and blood (P<0.01) from asthmatic compared with control subjects. Eosinophil cationic protein concentration was significantly elevated in BAL (P<0.05) and BW from asthmatics (P<0.01) and EPX was increased in BAL (P<0.05)and BW (P<0.01). These changes were also reflected in elevated serum ECP(P<0.01) and EPX (P<0.01)concentrations is asthmatic subjects. There was no significant difference between sujects receiving prednisolone and the placebo group, but there was a fall in ECP in BW (P<0.05) and serum (P<0.01) and in EPX in BW (P<0.01) and serum (P<0.01) within the group receiving prednisolone. In the longitudinal study there was only significant difference between ECP values associated with highest and lowest peak expiratory flow rate (PEFR) (P<0.05).

Conclusion
These data confirm a role for cosinophil activation in the airway in asthma pathogenesis, and add some support to the hypothesis that corticosteroids may inhibit cosinophil activation in asthma.
Stress induces substance P in vagal sensory neurons innervating the mouse airways
Authors: Joachim R. A. , Cifuentes L. B. , Sagach V. , Quarcoo D. , Hagen E. , Arck P. C. , Fischer A. , Klapp B. F. , Dinh Q. T.
Published: July 2006

Background
Tachykinins‐like substance P (SP) have been shown to play an important role in initiating and perpetuating airway inflammation. Furthermore, they are supposed to be released into tissues in response to stress.

Objective
The aim of this study was to investigate the effects of stress alone or in combination with allergic airway inflammation on SP expression in sensory neurons innervating the mouse airways.

Methods
Balb/c mice were systemically sensitized to ovalbumin (OVA), followed by allergen aerosol exposure, and compared with non‐sensitized controls. Additionally, OVA‐sensitized and ‐challenged and non‐sensitized mice were exposed to sound stress. SP expression in airway‐specific and overall vagal sensory neurons of the jugular and nodose ganglion complex was analysed using retrograde neuronal tracing in combination with immunohistochemistry. Preprotachykinin A (PPT‐A) mRNA, the precursor for SP, was quantified in lung tissue by real‐time PCR. Bronchoalveolar lavage (BAL) fluid was obtained, and cell numbers and differentiation were determined.

Results
Stress and/or allergic airway inflammation significantly increased SP expression in retrograde‐labelled vagal sensory neurons from the mouse lower airways compared with controls [stress: 15.7±0.8% (% of retrograde‐labelled neurons, mean±SEM); allergen: 17.9±0.4%; allergen/stress: 13.1±0.7% vs. controls: 6.3±0.3%]. Similarly, SP expression increased in overall vagal sensory neurons identified by the neuronal marker protein gene product (PGP) 9.5 [stress: 9.3±0.6% (% of PGP 9.5‐positive neurons, means±SEM); allergen: 12.5±0.4%; allergen/stress: 10.2±0.4% vs. controls: 5.1±0.3%]. Furthermore, stress significantly increased PPT‐A mRNA expression in lung tissue from OVA‐sensitized and ‐challenged animals, and immune cells were identified as an additional source of SP in the lung by immunohistochemistry. Associated with enhanced neuronal SP expression, a significantly higher number of leucocytes were found in the BAL following allergen exposure. Further, stress significantly increased allergen‐induced airway inflammation identified by increased leucocyte numbers in BAL fluids.

Conclusion
The central event of sound stress leads to the stimulation of SP expression in airway‐specific neurons. However, in sensitized stressed mice an additional local source of SP (probably inflammatory cells) might enhance allergic airway inflammation.
Mouse allergen‐specific immunoglobulin G4 and risk of mouse skin test sensitivity
Authors: Matsui E. C. , Diette G. B. , Krop E. J. M. , Aalberse R. C. , Smith A. L. , Eggleston P. A.
Published: July 2006

Background
High serum levels of cat‐specific IgG and IgG4 are associated with protection against allergic sensitization to cat, but whether this association applies to other animal allergens remains unclear.

Objective
To determine if high levels of mouse‐specific IgG and IgG4 are associated with a decreased risk of mouse skin test sensitivity.

Methods
Two hundred and sixty workers of a mouse facility underwent skin prick testing and completed a questionnaire. Serum levels of mouse‐specific IgG and IgG4 were quantified by solid‐phase antigen binding assays. Room air samples were collected and airborne Mus m 1 was quantified by ELISA.

Results
Forty‐nine participants had a positive skin prick test to mouse. Mouse‐specific IgG was detected in 219 (84%) participants and IgG4 was detected in 72 (28%) participants. A detectable mouse‐specific IgG4 level was associated with an increased risk of mouse skin test sensitivity (odds ratios (OR) 6.4, 95% confidence intervals (CI) 3.3–12.4). Mouse‐specific IgG and IgG4 were both positively correlated with mouse allergen exposure (rs=0.31, P=0.0001, and rs=0.27, P=0.0006, respectively). The odds of skin test sensitivity peaked at moderate levels of IgG4, but decreased at the highest levels of mouse‐specific IgG4. In contrast, the odds of skin test sensitivity increased monotonically with IgG levels.

Conclusions
A detectable level of mouse‐specific IgG4 is associated with an increased risk of skin test sensitivity to mouse. However, the highest IgG4 levels appear to be associated with an attenuated risk of mouse skin test sensitivity, suggesting that induction of high levels of IgG4 through natural exposure may protect against the development of allergic sensitization.