bluuebunny/crossref_metadata_2025 huggingface dataset:
Do early infant feeding practices vary by maternal ethnic group?
Authors: Griffiths Lucy J , Tate A Rosemary ,   Carol Dezateux and the Millennium Cohort Study Child Health Group
Published: March 2007

Objective

To examine UK country and ethnic variations in infant feeding practices.

Design

Cohort study.

Setting

Infants enrolled in the Millennium Cohort Study, born between September 2000 and January 2002.

Subjects

A total of 18 150 natural mothers (11 286 (8207 white) living in England) of singleton infants.

Outcome measures

Breast-feeding initiation, breast-feeding discontinuation and introduction of solid foods before 4 months.

Explanatory variables

Maternal ethnic group, education and social class.

Results

Seventy per cent of UK mothers started to breast-feed, of whom 62% stopped before 4 months. Median age at discontinuing breast-feeding was 14, 13, 10 and 6 weeks in Scotland, England, Wales and Northern Ireland, respectively. Thirty-six per cent of UK mothers (34% in England) introduced solids before 4 months. White mothers were more likely to discontinue breast-feeding (62%) and introduce solids early (37%) than most other ethnic minority groups; those stopping before 4 months were more likely to introduce solids early compared with those continuing to breast-feed beyond this age (adjusted rate ratio (95% confidence interval): 1.3 (1.1–1.2)). Educated mothers were less likely to stop breast-feeding before 4 months (white mothers, 0.8 (0.8–0.9); non-white mothers, 0.9 (0.8–1.0)) than those with no/minimal qualifications but, among ethnic minorities, were more likely to introduce solids early (1.3 (1.0–1.6)). Socio-economic status was positively associated with breast-feeding continuation among white women, and with age at introduction of solids among non-white women.

Conclusions

We have identified important geographic, ethnic and social inequalities in breast-feeding continuation and introduction of solids within the UK, many of which have not been reported previously. The factors mediating these associations are complex and merit further study to ensure that interventions proposed to promote maternal adherence to current infant feeding recommendations are appropriate and effective.
BAILII – Towards a National Law Library?
Authors: Leith Philip
Published: March 2007

Philip Leith, who is a trustee of BAILII, explains its origins in the Society for Computers and Law's suggestion that the government should build a computerised database of English law, to its role today as a major free resource for legal information. He discusses the Australian model, AustLII; describes the current database and considers the interaction between legal publishers and addedvalue and free legal sources both now and in the future.
Leading Change – Integrating E-Learning Into an Existing Course
Authors: Polding Liz
Published: March 2007

Liz Polding writes about her experiences of integrating e-learning resources into existing law courses at the Oxford Institute of Legal Practice, and shares her experiences of how to ensure that their introduction and use is accepted by tutors who may not have much relevant experience. Resources used include open source options, such as Moodle, webcams, pod casts, interactive noticeboards, chatrooms and e-portfolios.
Training the Trainer - Practical Checklist
Authors: Gray Karen , Miller Diane , Scott Karen , Stanfield Kate
Published: March 2007

This checklist should be read in conjunction with the authors' article at page 20 of this issue, and includes points to consider which have come out of their experiences in delivering training.
Parametric spherical wave multiple‐input and multiple‐output model for ray‐based simulations
Authors: Molina‐Garcia‐Pardo Jose‐Maria , Rodriguez Jose‐Victor , Juan‐Llacer Leandro
Published: March 2007

In this paper, a three‐dimensional parametric spherical wave model is presented that constructs the multiple‐input and multiple‐output (MIMO) channel from a single single‐input and single‐output realization of a ray‐based simulator. This model assumes that rays do not change in the vicinity of the arrays. It uses spherical propagation and image theory to construct the MIMO channel for any array configuration. The main novelty of this model is that it takes into account multiple reflections, diffraction, variations in the reflection coefficient for single‐bounce rays, and variations in the diffraction coefficient. Reflection is shown to be sensitive for hard polarization at the Brewster angle, though these rays have very low energy. Diffraction must be considered at the shadow boundaries of the diffraction wedge and assuming a constant diffraction coefficient, leads to inaccurate results at these regions. It is shown that in outdoor environments and for long distances, this model and the planar wave model provide similar results. However, at short distances, the parametric spherical wave model yields more accurate MIMO channels. Finally, the model is compared to some measurements in an outdoor environment.
Anomalous cosmic rays in the distant heliosphere and the reversal of the Sun's magnetic polarity in Cycle 23
Authors: McDonald F. B. , Stone E. C. , Cummings A. C. , Webber W. R. , Heikkila B. C. , Lal N.
Published: March 2007

Beginning in early June 2001 and extending over a ∼3 month period the Cosmic Ray Subsystem (CRS) experiment on Voyager 1 (80.3 AU, 34°N) observed a rapid transition in the energy of the peak intensity of anomalous cosmic ray (ACR) He from ∼11 MeV/n to ∼25 MeV/n. One month later there began a similar spectral shift at Voyager 2 (64.7 AU, 24°S). When these ACR transition times are extrapolated back from the estimated location of the heliospheric termination shock (TS) to the Sun (∼1 year) there is reasonable agreement with the range of times obtained for the polarity reversal of the interplanetary magnetic field (IPB) in the northern hemisphere near the Sun and the later reversal in the south. We interpret these changes in the ACR spectra as giving a global view of the interplanetary field reversal at the TS and confirmation of the important role of the TS in controlling the ACRs.
Software developed for obtaining GPS‐derived total electron content values
Authors: Horvath I. , Crozier S.
Published: March 2007

This paper describes a complex technique with its built‐in cycle slip correction procedures that have been developed for ionospheric space research to obtain high‐quality and high‐precision GPS‐derived total electron content (TEC) values. Thus, to correct GPS anomalies while the signatures of space weather features detected in the dual‐frequency 30‐s rate GPS data are preserved is the main aim of this technique. Its main requirement is to complete fully automatically all the tasks required to turn the observational data to the desired final product. Its major tasks include curve fitting, cycle slip detection and correction in the slant relative TEC data, residual error detection and correction in the vertical TEC data, and vertical TEC data filtering for quantifying data smoothness and GPS phase fluctuations. A detailed description of these two data correction methods is given. Validation tests showing weaknesses and strengths of the methods developed are also included and discussed. Versatility and accuracy of the methods are demonstrated with interesting and real‐world examples obtained from smooth midlatitude and from dynamic low‐ and high‐latitude data. Results indicate that errors can be detected and corrected more reliably in the vertical TEC data than in the slant TEC data because of the lower rate of change of vertical TEC over a 30‐s sampling period. Future work includes the development of a complex software package wherein the individual FORTRAN algorithms, described in this paper, will be incorporated into one main (FORTRAN, Matlab, or C++) program to provide professional and customized GPS data processing for ionospheric space research.
The carrier-trapping effect of dye doped in Alq
Authors: Zhong G. Y. , Kim D. E. , Kwon O. K. , Jang Y. K. , Kwon Y. S.
Published: March 2007

The electroluminescence (EL) of an organic light-emitting diode specially fabricated with a pure thin dye layer 4-(dicyanomethylene)-2-t-butyl-6(1,1,7,7-tetramethyljulolidyl-9-enyl)-4H-pyran (DCJTB) of 1-nm thickness inserted at the interface between N,N′-bis-(1-naphthl)-diphenyl-1,1′-biphenyl-4,4′-diamine and tris(8-quinolinolato) aluminum has been investigated. The EL behavior of this device changed dramatically at a driving voltage of about 12.25V, which has been ascribed to the breakage of the thin DCJTB layer. It is suggested that not only such thin layer of DCJTB can transport electrons and holes, but also trap them. A comparison of the EL performance with four other devices confirms this mechanism. Therefore, the high efficiency and long life of the dye doped Alq devices are attributed to the hole and electron trapping effect and the high photoluminescence efficiency of the dye.
Analogy in the adsorption of random copolymers and homopolymers at solid-liquid interface: A Monte Carlo simulation study
Authors: Sun Lei , Peng Changjun , Liu Honglai , Hu Ying , Jiang Jianwen
Published: March 2007

The adsorption of random copolymers at solid-liquid interface from a nonselective solvent has been studied by Monte Carlo simulation in a cubic lattice. The polymeric molecules are modeled as self-avoiding linear chains composed of two types of segments A and B. The effects of copolymer composition (A/B ratio), segment-surface interaction, and bulk concentration are examined on the thermodynamic and structural adsorption properties including surface coverage, adsorption amount, adsorption layer thickness, and microscopic density distribution. At a given newly introduced effective adsorption energy, random copolymers are found to behave quantitatively as homopolymers regardless of the copolymer composition and surface affinity. This remarkable analogy provides an efficient way in predicting the adsorption of random copolymers from homopolymers.
Martensite nucleation on dislocations in Cu–Al–Ni shape memory alloys
Authors: Ibarra A. , Caillard D. , San Juan J. , Nó M. L.
Published: March 2007

In the present work, the martensite nucleation on dislocations has been observed. Cu–Al–Ni shape memory alloys have been superelastic cycled inside the transmission electron microscope. The in situ experiences show that the dislocations in β phase can be a nucleation site for γ3′ and β3′ martensites, which at the same time have been characterized by electron diffraction. The martensite plates can nucleate on the dislocations when the stress is applied and retransform to the βL21 phase when the sample is unloaded. The results are discussed in terms of the atomic configuration of the dislocation core, which facilitates the martensite nucleation.
A periplasmic coiled-coil interface underlying TolC recruitment and the assembly of bacterial drug efflux pumps
Authors: Lobedanz Sune , Bokma Evert , Symmons Martyn F. , Koronakis Eva , Hughes Colin , Koronakis Vassilis
Published: March 2007

Bacteria such as
Escherichia coli
and
Pseudomonas aeruginosa
expel antibiotics and other inhibitors via tripartite multidrug efflux pumps spanning the inner and outer membranes and the intervening periplasmic space. A key event in pump assembly is the recruitment of an outer membrane-anchored TolC exit duct by the adaptor protein of a cognate inner membrane translocase, establishing a contiguous transenvelope efflux pore. We describe the underlying interaction of juxtaposed periplasmic exit duct and adaptor coiled-coils in the widespread RND-type pump TolC/AcrAB of
E. coli
, using
in vivo
cross-linking to map the extent of intermolecular contacts. Cross-linking of site-specific TolC cysteine variants to wild-type AcrA adaptor identified residues on the lower α-helical barrel domain of TolC, defining a contiguous cluster close to the entrance aperture of the exit duct. Reciprocally, site-specific cross-linking of AcrA cysteine variants to wild-type TolC identified the interaction surface on the adaptor within the N-terminal α-helix of the AcrA coiled-coil. The experimental data allowed a data-driven docking approach to model the interaction surface central to pump assembly. The lowest energy docked model satisfying all of the cross-link distance constraints places the adaptor at the intramolecular groove formed by the TolC entrance helices, aligning the adaptor coiled-coil with the exposed TolC outer helix. A key feature of this positioning is that it allows space for the proposed movement of the inner coil of TolC during transition to its open state.
A population genetics model with recombination hotspots that are heterogeneous across the population
Authors: Calabrese Peter
Published: March 2007

Both sperm typing and linkage disequilibrium patterns from large population genetic data sets have demonstrated that recombination hotspots are responsible for much of the recombination activity in the human genome. Sperm typing has also revealed that some hotspots are heterogeneous in the population; and linkage disequilibrium patterns from the chimpanzee have implied that hotspots change at least on the separation time between these species. We propose a population genetics model, inspired by the double-strand break model, which features recombination hotspots that are heterogeneous across the population and whose population frequency changes with time. We have derived a diffusion approximation and written a coalescent simulation program. This model has implications for the “hotspot paradox.”
Regulation of the stringent response is the essential function of the conserved bacterial G protein CgtA in
Vibrio cholerae
Authors: Raskin David M. , Judson Nicholas , Mekalanos John J.
Published: March 2007

The gene encoding the conserved bacterial G protein CgtA (Obg) is essential for viability in every organism in which it has been studied. CgtA has been reported to be involved in several diverse bacterial functions, including ribosome assembly, DNA repair, sporulation, and morphological development. However, none of these functions have been identified as essential. Here we show that depletion of CgtA in
Vibrio cholerae
causes global changes in gene expression that are consistent with induction of a classical low nutrient stress response or “stringent” response. We show that depletion of CgtA leads to increased ppGpp levels that correlate with induction of the global stress response and cessation of growth. The enzyme RelA is responsible for synthesis of the alarmone ppGpp during the stringent response. We show that CgtA is no longer essential in a
relA
deletion mutant and thus conclude that the essentiality of CgtA is directly linked to its ability to affect ppGpp levels. The enzyme SpoT degrades ppGpp, and here we show that SpoT is essential in a RelA+ CgtA+ background but not in a
relA
deletion mutant. We also confirmed that CgtA interacts with SpoT in a two-hybrid assay. We suggest that the essential function of CgtA is as a repressor of the stringent response that acts by regulating SpoT activity to maintain low ppGpp levels when bacteria are growing in a nutrient-rich environment.
Spiral structure of
Escherichia coli
HUαβ provides foundation for DNA supercoiling
Authors: Guo Fusheng , Adhya Sankar
Published: March 2007

We determined the crystal structure of the
Escherichia coli
nucleoid-associated HUαβ protein by x-ray diffraction and observed that the heterodimers form multimers with octameric units in three potential arrangements, which may serve specialized roles in different DNA transaction reactions. It is of special importance that one of the structures forms spiral filaments with left-handed rotations. A negatively superhelical DNA can be modeled to wrap around this left-handed HUαβ multimer. Whereas the wild-type HU generated negative DNA supercoiling
in vitro
, an engineered heterodimer with an altered amino acid residue critical for the formation of the left-handed spiral protein in the crystal was defective in the process, thus providing the structural explanation for the classical property of HU to restrain negative supercoils in DNA.
Transgenic
LacZ
under control of
Hec-6st
regulatory sequences recapitulates endogenous gene expression on high endothelial venules
Authors: Liao Shan , Bentley Kevin , Lebrun Marielle , Lesslauer Werner , Ruddle Frank H. , Ruddle Nancy H.
Published: March 2007

Hec-6st
is a highly specific high endothelial venule (HEV) gene that is crucial for regulating lymphocyte homing to lymph nodes (LN). The enzyme is also expressed in HEV-like vessels in tertiary lymphoid organs that form in chronic inflammation in autoimmunity, graft rejection, and microbial infection. Understanding the molecular nature of
Hec-6st
regulation is crucial for elucidating its function in development and disease. However, studies of HEV are limited because of the difficulties in isolating and maintaining the unique characteristics of these vessels
in vitro
. The novel pClasper yeast homologous recombination technique was used to isolate from a BAC clone a 60-kb DNA fragment that included the
Hec-6st
(
Chst4
) gene with flanking sequences. Transgenic mice were generated with the β-
galactosidase
(
LacZ
) reporter gene inserted in-frame in the exon II of
Hec-6st
within the isolated BAC DNA fragment. LacZ was expressed specifically on HEV in LN, as indicated by its colocalization with peripheral node vascular addressin. LacZ was increased in nasal-associated lymphoid tissue during development and was reduced in LN and nasal-associated lymphoid tissue by LTβR-Ig (lymphotoxin-β receptor human Ig fusion protein) treatment in a manner identical to the endogenous gene. The transgene was expressed at high levels in lymphoid accumulations with characteristics of tertiary lymphoid organs in the salivary glands of aged mice. Thus, the
Hec-6s-LacZ
construct faithfully reproduces
Hec-6st
tissue-specific expression and can be used in further studies to drive expression of reporter or effector genes, which could visualize or inhibit HEV in autoimmunity.
Xenopus tropicalis egg extracts provide insight into scaling of the mitotic spindle
Authors: Brown Katherine S. , Blower Michael D. , Maresca Thomas J. , Grammer Timothy C. , Harland Richard M. , Heald Rebecca
Published: March 2007

The African clawed frog Xenopus laevis has been instrumental to investigations of both development and cell biology, but the utility of this model organism for genetic and proteomic studies is limited by its long generation time and unsequenced pseudotetraploid genome. Xenopus tropicalis, which is a small, faster-breeding relative of X. laevis, has recently been adopted for research in developmental genetics and functional genomics, and has been chosen for genome sequencing. We show that X. tropicalis egg extracts reconstitute the fundamental cell cycle events of nuclear formation and bipolar spindle assembly around exogenously added sperm nuclei. Interestingly, X. tropicalis spindles were ∼30% shorter than X. laevis spindles, and mixing experiments revealed a dynamic, dose-dependent regulation of spindle size by cytoplasmic factors. Measurements of microtubule dynamics revealed that microtubules polymerized slower in X. tropicalis extracts compared to X. laevis, but that this difference is unlikely to account for differences in spindle size. Thus, in addition to expanding the range of developmental and cell biological experiments, the use of X. tropicalis provides novel insight into the complex mechanisms that govern spindle morphogenesis.
Evaluation of predicted network modules in yeast metabolism using NMR-based metabolite profiling
Authors: Bundy Jacob G. , Papp Balázs , Harmston Rebecca , Browne Roy A. , Clayson Edward M. , Burton Nicola , Reece Richard J. , Oliver Stephen G. , Brindle Kevin M.
Published: March 2007

Genome-scale metabolic models promise important insights into cell function. However, the definition of pathways and functional network modules within these models, and in the biochemical literature in general, is often based on intuitive reasoning. Although mathematical methods have been proposed to identify modules, which are defined as groups of reactions with correlated fluxes, there is a need for experimental verification. We show here that multivariate statistical analysis of the NMR-derived intra- and extracellular metabolite profiles of single-gene deletion mutants in specific metabolic pathways in the yeast Saccharomyces cerevisiae identified outliers whose profiles were markedly different from those of the other mutants in their respective pathways. Application of flux coupling analysis to a metabolic model of this yeast showed that the deleted gene in an outlying mutant encoded an enzyme that was not part of the same functional network module as the other enzymes in the pathway. We suggest that metabolomic methods such as this, which do not require any knowledge of how a gene deletion might perturb the metabolic network, provide an empirical method for validating and ultimately refining the predicted network structure.
2-(4-Fluorophenoxy)-N-methylacetamide
Authors: Luo Zhong-Hua , Liu Shan , Deng Shui-Ping , Zhu Hong-Jun , Jia Hong-Sheng
Published: March 2007

The asymmetric unit of the title compound, C9H10FNO2, contains two molecules. Intra- and intermolecular N—H...O and C—H...F hydrogen bonds link the molecules into a three-dimensional framework; they seem to be effective in the stabilization of the crystal structure.
(2R,2′S)-2,2′-(Ethane-1,2-diyldiiminio)bis(butane-2,1-diyl) disulfate dihydrate
Authors: Bai Guo-Yi , Zhang Chen-Fang , Simpson Jim , Chen Yong , Peng Hong-Wei
Published: March 2007

The title compound, C10H28N2O10S2, was synthesized by the reaction of concentrated sulfuric acid with (R,S)-ethambutol. The zwitterionic amino–sulfate system, protonated at both N atoms, lies about a centre of symmetry. The asymmetric unit also contains a solvent water molecule. In the crystal structure, intermolecular O—H...N and N—H...O hydrogen bonds link the molecules into a three-dimensional network.
Tetrakis[(1-phenyltetrazol-5-yl)sulfanylmethyl]methane
Authors: Lyakhov Alexander S. , Zatsepina Marina V. , Artamonova Tatiana V. , Gaponik Pavel N. , Koldobskii Grigorii I.
Published: March 2007

The title compound, C33H28N16S4, prepared by the divergent method, presents a core unit for further synthesis of tetrazole-containing dendrimers. The central C atom lies on a crystallographic twofold rotation axis. π–π Interactions and weak non-classical C—H...N hydrogen bonds are responsible for the formation of layers parallel to the bc plane, with van der Waals interactions between them.
5-O-tert-Butyldiphenylsilyl-2-C-hydroxymethyl-2,3-O-isopropylidene-2′-O-trifluoromethanesulfonyl-D-ribono-1,4-lactone
Authors: Simone Michela , Fleet George W. J. , Watkin David J.
Published: March 2007

The title compound, C26H31F3O8SSi, provides a unique example of the crystal structure of an organic trifluoromethanesulfonate attached to a primary C atom. The absolute configuration is determined by the use of D-ribose as the starting material.
4,4′-Di-tert-butyl-2,2′-bipyridine–hexafluorobenzene (1/1)
Authors: Batsanov Andrei S. , Mkhalid Ibraheem A. I. , Marder Todd B.
Published: March 2007

The title structure, C18H24N2·C6F6, comprises mixed stacks of alternating 4,4′-di-tert-butyl-2,2′-bipyridine and hexafluorobenzene molecules, both lying on crystallographic mirror planes. There are weak C—H...N (2.46–2.51 Å) and C—H...F (2.52–2.74 Å) hydrogen bonds lying on the mirror planes, as well as π–π interactions between stacked aromatic molecules (as indicated by interplanar distances of 3.35 Å).
catena-Poly[[trimethyltin(IV)]-μ-2-p-tolylacetato-κ2
O:O′]
Authors: Hussain Mukhtiar , Hanif Muhammad , Ali Saqib , Butcher Ray
Published: March 2007

The title compound, [Sn(CH3)3(C9H9O2)], forms polymeric chains involving both O atoms of the carboxylate group. The coordination geometry around the Sn atom is distorted trigonal–bipyramidal.
Cyclotriphosphate trihydraté de lanthane
Authors: Khlissa Faycel , Férid Mokhtar
Published: March 2007

LaP3O9·3H2O belongs to the REIIIP3O9·3H2O (RE = rare earth) polyphosphate family that crystallizes in space group P\overline 6. In these cyclotriphosphates, the cyclic P3O9
3− anion has a planar configuration with 3/m internal symmetry. The La3+ cation, located on one of the \overline 6 axes, is ninefold-coordinated by six polyphosphate O atoms at a distance of 2.518 (2) Å and by three water O atoms at 2.584 (3) Å.
3-Acetyl-4-aminoquinoline
Authors: Lokaj Jan , Kettmann Viktor , Černuchová Petra , Milata Viktor , Fronc Marek
Published: March 2007

The title compound, C11H10N2O, a potential antitumour drug, crystallizes with two molecules in the asymmetric unit. The 4-amino N atom is strongly conjugated with the quinoline ring involving the 3-carbonyl group. As a result, the molecule is almost planar. The amino group is involved in both intramolecular N—H...O and intermolecular N—H...N hydrogen bonds.
Bis(tetraethylammonium) bis(dimethylammonium) dihydrogendecavanadate(V)
Authors: Chen Lian , Yue Cheng-Yang , Yuan Da-Qiang , Jiang Fei-Long , Hong Mao-Chun
Published: March 2007

The title compound, (C2H8N)2(C8H20N)2[H2V10O28], contains two crystallographically independent centrosymmetric polyvanadate clusters, each with a composition [V10O28H2]4−, with the H atoms attached to μ2-O atoms. A variety of O—H...O and N—H...O hydrogen bonds generate a two-dimensional network.
2,4-Dimethyl-3,4-O-isopropylidene-L-arabinono-1,5-lactone
Authors: Booth Kathrine V. , Watkin David J. , Jenkinson Sarah F. , Fleet George W. J.
Published: March 2007

The relative configuration at C-2 of 2,4-dimethyl-3,4-O-isopropylidene-L-arabinono lactone, C10H16O5, which exists in the boat form, was unequivocally established by X-ray crystallographic analysis. The absolute configuration was determined by the use of 2-C-methyl-D-ribonolactone as a starting material.
Bis(dimethylammonium) 2,5-dicarboxybenzene-1,4-dicarboxylate bis(1,10-phenanthroline)
Authors: Chen Ding-Chu , Li Xin-Hua , Ding Jin-Chang
Published: March 2007

In the title compound, 2C2H8N+·C10H4O8
2−·2C12H8N2, dimethylammonium cations, 2,5-dicarboxybenzene-1,4-dicarboxylate anions and 1,10-phenanthroline molecules are linked by N—H...N and N—H...O hydrogen bonds into a network structure. The 2,5-dicarboxybenzene-1,4-dicarboxylate anion lies on an inversion center.
3,4,5-Triacetoxybenzoic acid hemihydrate
Authors: Li Zhen-Huan , Guo Ming-Lin
Published: March 2007

The title compound, C13H12O8·0.5H2O, has two molecules of 3,4,5-triacetoxybenzoic acid and one of water in the asymmetric unit. These are linked by intermolecular hydrogen bonds to form a larger unit, which is composed of four molecules of the acid and two molecules of water.
2-Carboxy-4-(hydroxymethyl)pyridinium chloride hemihydrate
Authors: Chrzanowski Lars S. von , Lutz Martin , Spek Anthony L. , McDonald Aidan R. , Klink Gerard P. M. van , Koten Gerard van
Published: March 2007

The title compound, C7H8NO3
+·Cl−·0.5H2O, features inter- and intramolecular O—H...Cl and N—H...O hydrogen bonds, linking the molecules into a three-dimensional network. The water molecule is located on a crystallographic twofold rotation axis.
Chloro[2-(N,N-dimethylamino)ethanol-κN][2-(N,N-dimethylamino)ethanolato-κ2
N,O]palladium(II)
Authors: Hamid Mazhar , Tahir Asif Ali , Mazhar Muhammad , Zeller Matthias , Hunter Allen D.
Published: March 2007

In the title compound, [Pd(C4H10NO)Cl(C4H11NO)], the geometry around the Pd atom, which is coordinated by one O, one Cl and two N atoms, is square-planar, with the N atoms trans to each other. One deprotonated N,N-dimethylaminoethanol (dmaeH) molecule acts as a bidentate ligand, while the other is coordinated through the N atom only. The structure displays O—H...O hydrogen bonding.
17α-Ethynyl-17β-hydroxyandrosta-1,4-dien-3-one
Authors: Sheng Liu-Qing , Liang Wan-Gen , Chen Gang , Shen Hua-Feng
Published: March 2007

In the title molecule, C21H26O2, there are two C=C bonds [1.321 (4) and 1.334 (4) Å], which contribute to the planarity of ring A along with the carbonyl group. Rings B and C have regular chair conformations, while ring D has an envelope conformation. In the crystal structure, intermolecular O—H...O and C—H...O hydrogen bonds link the molecules into corrugated sheets parallel to the ab plane.
4-(Bromomethyl)benzophenone
Authors: Xu Wei-Jian , Zang Yang-Ling , Wu Guo-Liang , Su Sheng-Pei , Qiu De-Yue
Published: March 2007

The title compound, C14H11BrO, was synthesized by the reaction of 4-methylbenzophenone and bromine in carbon tetrachloride. X-ray crystal structure analysis reveals that the benzene and phenyl rings form a dihedral angle of 59.53 (6)°, and the crystal packing is stabilized by intermolecular C—H...π interactions.
2-[4-(Diethylamino)phenyl]-1-ethylimidazo[4,5-f][1,10]phenanthroline
Authors: Sun Min , Chen Guang , Ling Bao-Ping , Liu Yu-Xia
Published: March 2007

In the title compound, C33H25N5, the central benzene ring is not coplanar with any other rings. The molecules are linked through an intermolecular C—H...N hydrogen bond.
1-[2-(5-Nitro-1H-benzimidazol-1-yl)ethyl]morpholinium chloride. Corrigendum
Authors: Akkurt Mehmet , Türktekin Sevim , Küçükbay Hasan , Yılmaz Ülkü , Büyükgüngör Orhan
Published: March 2007

In the paper by Akkurt, Türktekin, Küçükbay, Yılmaz & Büyükgüngör [Acta Cryst. (2005), E61, o166–o168], the experimental section is incorrect. The correct experimental section is given below.
(3-Amino-4-chlorobenzoato)triphenyltin(IV)
Authors: Aziz-ur-Rehman  , Ali Saqib , Shahzadi Saira , Parvez Masood
Published: March 2007

The structure of the title compound, [Sn(C6H5)3(C7H5ClNO2)], contains dimeric units that are stabilized by inter- and intramolecular hydrogen bonds involving amino H atoms and carbonyl O and Cl atoms. The geometry around Sn is slightly distorted tetrahedral and the Sn—C distances are essentially identical.
catena-Poly[[dichlorozinc(II)]-μ-1,2-di-4-pyridylethylene-κ2
N:N′]
Authors: Qin Chuang-Ye , Xu Jing-Wei
Published: March 2007

In the title compound, [ZnCl2(C12H10N2)]
n
, the ZnII ion displays a tetrahedral coordination geometry. Each 1,2-di-4-pyridylethylene ligand is located on an inversion center and bridges ZnII ions, forming a zigzag polymeric chain. Weak C—H...Cl hydrogen bonding is observed in the crystal structure.
2-{5-[N-(4-tert-Butylbenzyl)carbamoyl]-3-phenyl-1H-pyrazol-1-yl}acetic acid
Authors: Ge Yan-Qing , Xia Yong , Dong Wen-Liang , Wei Fang , Zhao Bao-Xiang
Published: March 2007

In the title compound, C23H25N3O3, all bond lengths and angles show normal values. The dihedral angles between the rings of the pyrazole and the unsubstituted and tert-butyl-substituted benzene rings are 8.6 (2) and 78.5 (3)°, respectively, while that between the two benzene rings is 76.6 (3)°.
Zwitterionic (E)-6-methyl-2-oxo-3-[1-(p-tolyliminio)ethyl]-2H-pyran-4-olate
Authors: Djedouani Amel , Bendaas Abderrahmen , Boufas Sihem , Allain Magali , Bouet Gilles , Khan Mustayeen
Published: March 2007

The title compound, C15H15NO3, derived from the condensation of dehydroacetic acid and p-toluidine, crystallizes in a zwitterionic form with cationic iminium and anionic enolate groups, which complete a six-membered pseudocycle via an intramolecular N—H...O hydrogen bond. C—H...O interactions link the molecules into a two-dimensional network.
N-(3,4-Dichlorophenyl)-N′-(phenylacetyl)thiourea
Authors: Yusof M. Sukeri M. , Pazil Aqilah M. , Kadir Maisara A. , Yamin Bohari M.
Published: March 2007

The molecule in the title compound, C15H12Cl2N2OS, adopts a trans–cis configuration with respect to the positions of the phenylacetyl and 3,4-dichlorophenyl groups relative to the S atom across their C—N bonds. In the crystal structure, the molecules are linked by N—H...O and C—H...O interactions, forming a chain along the c axis.
Triaqua[2-(6-oxido-4-oxo-3,4-dihydropyimidin-2-ylsulfanyl)acetato]nickel(II) 2.5-hydrate
Authors: Jiao Yan , Pan Zhao-Rui , Fang Zhi-Jie , Li Yi-Zhi , Zheng He-Gen
Published: March 2007

In the crystal structure of the title compound, [Ni(C6H4N2O4S)(H2O)3]·2.5H2O, the NiII atom is six-coordinated by one 2-(6-oxido-4-oxo-3,4-dihydropyimidin-2-ylsulfanyl)acetate ligand and three water molecules. Hydrogen-bonding interactions between the coordinated and uncoordinated water molecules and between the water molecules and the organic ligand result in a three-dimensional network structure.
catena-Poly[[aqua(1H-imidazole-κN
3)cadmium(II)]-μ-benzene-1,3-dicarboxylato-κ3
O,O′:O′′]
Authors: Wang Li-Bin , Li Xiu-Mei , Wang Qing-Wei , Liu Bo
Published: March 2007

In the title compound, [Cd(C8H4O4)(C3H4N2)2(H2O)]
n
, the Cd center is six-coordinated by three O atoms from two benzene-1,3-dicarboxylate dianions, two N atoms from two imidazole ligands and one water molecule in a distorted octahedral geometry. The benzene-1,3-dicarboxylate dianion acts as a bridge, resulting in a one-dimensional chain-like structure.
6,7,9,10,17,18,20,21,28,29,31,32,39,40,42,43-Hexadecahydro-16,44:22,38-di(ethanooxyethano)-5,8,11,19,27,30,33,41-octaoxa-16,22,38,44-tetraazatetrabenzo[h,q,z,i
1]cyclohexatriacontine: a benzoannelated tricyclic cryptand
Authors: Smith Gary L. N. , Rocher Nathalie M. , Powell Douglas R. , Taylor Richard W.
Published: March 2007

The tricyclic title compound, C48H64N4O10, consists of two unsymmetric 18-membered diazatetraoxamacrocycles (NONOOO donor atom set) connected through the N atoms by two lateral ethanoxyethano bridges. The bridging subunits, together with one bridge from each monocycle, define a 24-membered ring that forms a central cavity. The 18-membered rings are parallel to each other, are displaced out of overlap with each other, and are oriented in an opposite sense with respect to the plane defined by the donor atoms of the central cavity.
1-(4-Chlorophenyl)-4-(2-furoyl)-3-(2-furyl)-1H-pyrazol-5-ol
Authors: Li Jin-Zhou , Zhang Heng-Qiang , Li Hong-Xin , Che Pi-Zhi , Wang Tian-Chi
Published: March 2007

The crystal structure of the title compound, C18H11ClN2O4, contains intra- and intermolecular hydrogen bonds that link the ketone and hydroxyl groups. The intermolecular hydrogen bond results in the formation of a dimer with an R
2
2(12) graph-set motif.
Hydrogen bonding in 3-methylenecyclohexane-1,1-dicarboxylic acid
Authors: Foces-Foces C. , Rodríguez M. L. , Pérez-Hernández N.
Published: March 2007

In the title structure, C9H12O4, the molecules assemble into a one-dimensional hydrogen-bonded chain of carboxylic dimers of extended C
2
2(12)[R
2
2(8)] notation.
rac-Diethyl {[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-ylamino](phenyl)methyl}phosphonate
Authors: Han Feng , Wan Rong , Zhang Jin-Jun , Wu Wen-Yuan , Wang Jin-Tang
Published: March 2007

The title compound, C19H21FN3O3PS, was synthesized by the reaction of N-benzylidene-5-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine and diethyl phosphite. Intermolecular N—H...O hydrogen bonds connect molecules into centrosymmetric dimers.
Tetrakis(dimethylammonium) hexachlorotungstate(III) chloride
Authors: Xu Wei , Lin Jian-Li
Published: March 2007

The title compound, (C2H8N)4[WCl6]Cl, contains discrete [WCl6]3− and Cl− anions and dimethylammonium cations. Both anions lie on crystallographic twofold rotation axes. N—H...Cl hydrogen-bond interactions result in the formation of {[(CH3)2NH2]2(WCl6)}− anionic layers and [(CH3)2NH2]2Cl+ cationic units.
N-(3-Chlorophenyl)-2-cyano-3-(4-hydroxy-3-methoxy-2-nitrophenyl)prop-2-enamide
Authors: Zheng Xian-Ming , Hu Wei-Xiao , Xu Feng
Published: March 2007

In the title compound, C17H12ClN3O5, the benzene rings are twisted out of the central –Car–C–C(–CN)–C(=O)–N–plane. The dihedral angles between this plane and the aromatic planes are 31.2 (4) and 4.8 (3)°. The C=C double bond is in an E configuration.
(2E)-3-(Biphenyl-4-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
Authors: Fischer Andreas , Yathirajan H. S. , Ashalatha B. V. , Narayana B. , Sarojini B. K.
Published: March 2007

The title compound, C22H18O2, was prepared from biphenyl-4-carbaldehyde and 4-methoxyacetophenone. The molecule deviates significantly from planarity.
(2E)-3-(Biphenyl-4-yl)-1-(4-bromophenyl)prop-2-en-1-one
Authors: Fischer Andreas , Yathirajan H. S. , Ashalatha B. V. , Narayana B. , Sarojini B. K.
Published: March 2007

The title compound, C21H15BrO, was obtained from 4-bromoacetophenone and biphenyl-4-carbaldehyde. The geometry of the molecule is unexceptional. The compound crystallizes isostructurally with the corresponding chloro compound.
Aquabis(1,2-ethanediamine-κ2
N,N′)hydroxidocobalt(III) naphthalene-1,5-disulfonate monohydrate
Authors: Ou Guang-Chuan , Zhang Min , Yuan Xian-You , Ng Seik Weng
Published: March 2007

The CoIII atom in the title compound, [Co(C2H8N2)2(OH)(H2O)](C10H6O6S2)·H2O, exhibits an octahedral coordination geometry, with the hydroxide and water ligands occupying cis sites. Adjacent cations are linked into linear chains through hydrogen-bonded OH...OH2 units. The CoIII atom lies on a twofold rotation axis and the naphthalene-1,5-disulfonate dianion lies on a centre of inversion.
Redetermination of catena-poly[[sodium(I)-tri-μ-dimethylformamide-κ6
O:O] iodide] at 140 K
Authors: Chessa Simona , Wright Joseph A.
Published: March 2007

The structure of the title compound, {[Na(C3H7NO)3]I}
n
, has been redetermined at 140 (2) K. The Na+ cations lie on sites of 32 point symmetry and are linked into one-dimensional chains via bridging DMF molecules lying on mirror planes. The coordination geometry of Na+ is intermediate between octahedral and trigonal prismatic. The I− anions lie on sites of \overline{6} point symmetry between the chains.
(4-Methoxyphenyl)diphenylphosphine
Authors: Flower Kevin R. , Miles Philip J. , Pritchard Robin G.
Published: March 2007

The crystal structure of the title compound, C19H17OP, is stabilized by C—H...O and C—H...π interactions.
Bis(μ-pyridine-2,6-dicarboxylato)-κ4
O,N,O′:O′;κ4
O:O,N,O′-bis[aquamethylphenyltin(IV)] chloroform disolvate
Authors: Amini Mostafa M. , Azadmeher Amirreza , Ng Seik Weng
Published: March 2007

The dinuclear title compound, [Sn2(CH3)2(C6H5)2(C7H3NO4)2(H2O)2]·2CHCl3, crystallizes as a dichloroform solvate; the centrosymmetric compound has Sn in a seven-coordinate, trans-pentagonal–bipyramidal geometry. The dicarboxylate unit is tetradentate; it binds through the N and the two O atoms (one from the dianion); one of the O atoms that is involved in coordination forms a bridge to the other Sn atom.
Bis(2,9-dimethyl-1,10-phenanthroline)copper(I) tetraphenylborate dichloromethane solvate
Authors: Eckenhoff William T. , Pintauer Tomislav
Published: March 2007

In the title compound, [Cu(C14H12N2)2]C24H20B·CH2Cl2, CuI is chelated by two 2,9-dimethyl-1,10-phenanthroline (2,9-Me2phen) ligands, in a distorted tetrahedral coordination geometry. The average Cu—N bond length is 2.032 Å, and the interligand dihedral angle is 77.60 (6)°. The complexes form π–π stacking interactions between 2,9-Me2phen ligands, with a perpendicular interplanar separation of 3.652 (5) Å.
(−)-cis-1-Acetyl-3-ethynyl-2,2-dimethylcyclobutane
Authors: Malak Muhammad H. , Lalancette Roger A. , Thompson Hugh W.
Published: March 2007

The title compound, C10H14O, adopts a conformation typical of cis-1,3-disubstituted cyclobutanes, with the ring flexed out of planarity so that the substituents are maximally separated. The two intermolecular C—H...O=C close contacts found include one involving the acetylenic H atom.
5-Amino-5-deoxy-2-C-hydroxymethyl-2,3-O-isopropylidene-L-lyxono-1,5-lactam
Authors: Simone Michela , Fleet George W. J. , Bream Richard , Watkin David J.
Published: March 2007

The relative configuration of the title compound, C9H14NO5, formed by catalytic hydrogenation of an azidolactone, has been established by X-ray crystallographic analysis. The absolute configuration was determined by the use of 2,3-O-isopropylidene-L-lyxono-1,4-lactone as the carbohydrate starting material.
cis-Ethylenebis(diphenylphosphine oxide)
Authors: Caddy Judy , Coyanis E. Mabel , Fernandes Manuel A. , Khanye Setshaba D. , Omondi Bernard
Published: March 2007

The title compound, C26H22O2P2, crystallizes across a twofold rotation axis. The structure is characterized by chains formed through C—H...O hydrogen bonds running along the b axis, which are further supported by C—H...π and π–π intermolecular interactions.
catena-Poly[cyclohexylammonium [cadmate(II)-tri-μ-bromido]]
Authors: Rademeyer Melanie
Published: March 2007

The title compound, {(C6H14N)[CdBr3]}
n
, self-assembles into a layered structure consisting of alternating organic and inorganic layers, with the two Cd atoms on inversion centres. In the inorganic layer, octahedral CdBr6 units share faces to form a one-dimensional perhalometallate chain, which interacts with the ammonium groups of the cations through hydrogen bonds, forming a two-dimensional hydrogen-bonded sheet.
Ethyl (2,3-dihydro-1H,1′H-2,3′-biindol-1-yl)glyoxylate
Authors: Peifer Christian , Ott Dimitri , Schollmeyer Dieter , Laufer Stefan
Published: March 2007

The crystal structure of the title compound, C20H18N2O3, was determined in the course of our studies of the synthesis of 3-acylindole derivatives. We obtained it as an unexpected racemic side product. The crystal structure contains chains of dimers along the a axis.
Piperazinium hydrogenarsenate monohydrate
Authors: Wilkinson Hazel S. , Harrison William T. A.
Published: March 2007

In the title compound, C4H12N2
2+·HAsO4
2−·H2O, the component species interact by way of N—H...O and O—H...O hydrogen bonds, the latter leading to infinite sheets of HAsO4
2− anions and water molecules containing R
6
6(18) loops. The asymmetric unit contains one anion, one water molecule and half each of two centrosymmetric cations.
trans-Bis(hydrogen maleato-κO)bis(pyridine-2-carboxamide-κ2
N
1,O)copper(II)
Authors: Sieroń Lesław
Published: March 2007

In the title compound, [Cu(C4H3O4)2(C6H6N2O)2], the CuII atom lies on a centre of symmetry and adopts a 4+2 elongated octahedral geometry with two hydrogen maleate ligands in axial positions. The complex molecules are linked via N—H...O hydrogen bonds into a two-dimensional network and further form a three-dimensional structure via weak C—H...O interactions.
Tetraphenylphosphonium [N-(2-aminophenyl)-2-(mercaptomethylcarbonylamino)ethanamido(4−)-κ4
S,N,N′,N′′]oxorhenate(V)
Authors: Le Gal Julien , Benoist Éric , Gressier Marie , Bélanger-Gariépy Francine , Beauchamp André L.
Published: March 2007

The title compound, (C24H20P)[Re(C10H9N3O2S)O], contains well separated square-pyramidal [OReL]− complex anions (L is the deprotonated N-(2-aminophenyl)-2-(mercaptomethylcarbonylamino)ethanamide ligand) and tetrahedral [(C6H5)4P]+ cations. In the anion, the Re=O bond is oriented along the apical direction and the four basal sites are occupied by one S– and three N-atom donors of the tetradentate L
4− ligand.
2,5-Dibromopyridinium hexabromidostannate(IV)
Authors: Ali Basem Fares , Al-Far Rawhi
Published: March 2007

The asymmetric unit of the title compound, (C5H4Br2N)2[SnBr6], contains one cation and one half-anion. The anion exhibits a distorted octahedral arrangement about the Sn atom, which lies on a crystallographic twofold rotation axis. In the crystal structure, intermolecular hydrogen bonds and short Br...Br interactions cause the formation of a supramolecular architecture, in which they may be effective in the stabilization of the structure.
Bis(2-acetyl-1-naphtholato-κ2
O,O′)copper(II)
Authors: Rayati Saeed , Yaftian Mohammad Reza , Khavasi Hamid Reza
Published: March 2007

The asymmetric unit of the title compound, [Cu(C12H9O2)2], contains one half-molecule; the Cu atom lies on a centre of symmetry. The chelate ring is not planar and has a twist conformation. The dihedral angle between the naphthalene six-membered rings is 3.55 (3)°.
Bis(ethylenediamine-κ2
N,N′)copper(II) 9,10-dioxoanthracene-2,6-disulfonate
Authors: Lian Zhao-Xun , Li Hao-Hong
Published: March 2007

In the title compound, [Cu(C2H8N2)2](C14H6O8S2), the CuII atom lies on an inversion centre and is coordinated by two ethylenediamine ligands in a square-planar geometry. 9,10-Dioxoanthracene-2,6-disulfonate anions, also lying on inversion centres, coordinate weakly to CuII and accept N—H...O hydrogen bonds from ethylenediamine, linking the [Cu(C2H8N2)2]2+ cations into chains. Adjacent chains are linked into extended two-dimensional networks via N—H...O hydrogen bonds.
1-[3-(Trifluoromethyl)phenyl]-3-pivaloylthiourea
Authors: Shoukat Noreen , Khawar Rauf M. , Ebihara Masahiro , Badshah Amin
Published: March 2007

The title compound, C13H15F3N2OS, shows an intramolecular N—H...O hydrogen bond and forms intermolecular N—H...S hydrogen bonds, generating a chain.
(3aR,4R,4aS,9aR)-4-Hydroxyperhydrofuro[2,3-f]indolizin-7(2H)-one
Authors: Švorc Ľubomír , Vrábel Viktor , Kožíšek Jozef , Marchalín Štefan , Žúžiová Jozefína
Published: March 2007

In the title compound, C10H15NO3, the central six-membered ring has a chair conformation. The conformations of the fused furan and oxopyrrolidine rings are close to envelopes. Molecules form chains parallel to the a axis via O—H...O intermolecular hydrogen bonds, which help to stabilize the crystal structure.
1,2,4-Triazolo[1,5-a]pyrimidin-3-ium chloride
Authors: Maldonado Carmen R. , Quirós Miguel , Salas Juan M.
Published: March 2007

The cation of the title molecule, C5H5N4
+·Cl−, is strictly planar; it occupies a special position on a mirror plane. The protonation of the heterocycle takes place, as expected, at an N atom of the imidazole ring. This H atom is hydrogen bonded to the chloride anion.
5-Bromo-2-p-tolylisoindoline-1,3-dione
Authors: Li Jian , Liang Zu-Pei , Sun Xiao-Zheng
Published: March 2007

The crystal structure of the title compound, C15H10BrNO2, is stabilized by weak C—H...O hydrogen bonds. The dihedral angle between the phthalimide unit and the benzene ring is 71.7 (2)°.
Hyper‐immunoglobulin M syndrome caused by a mutation in the promotor for CD40L
Authors: Van Hoeyveld Erna , Zhang Ping‐Xia , De Boeck Kris , Fuleihan Ramsay , Bossuyt Xavier
Published: March 2007

Hyper‐immunoglobulin M (IgM) syndrome (HIGM) is a rare primary immunodeficiency characterized by elevated or normal IgM and absent or markedly decreased amounts of IgG, IgA and IgE. The X‐linked form (HIGM1) is the most common type and is caused by mutations in the gene for CD40L, a T‐cell surface molecule required for T‐cell driven immunoglobulin class switching by B cells. In the present study we have identified a patient with X‐linked hyper‐IgM who failed to express CD40L on the cell surface of CD4+ T lymphocytes. Sequence analysis of CD40L genomic DNA showed no mutations. CD40L mRNA was absent and sequence analysis of the CD40L promotor revealed a mutation at position −123 from the transcription start site. The mutation in the promotor region likely contributed to the decreased transcription as demonstrated by a luciferase reporter assay.