bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of enzymatic pretreatment on acid fermentation of food waste
Authors: Kim Hee Jun , Kim Sung Hong , Choi Young Gyun , Kim Gyu Dong , Chung Tai Hak
Published: April 2006

Although food waste is a valuable carbon source for biological nutrient removal systems with low organic wastewater because of high C/N and C/P ratios, it must be pretreated to promote the hydrolysis of particulates, which is considered as a rate‐limiting step. This study investigated the effects of enzymatic pretreatment on hydrolytic solubilization of food waste with commercial enzyme. Both acidification efficiency and volatile fatty acid (VFA) production potential of enzymatically pretreated food waste were examined under controlled laboratory conditions. Experimental results indicated that protease exhibited the highest VSS reduction rate among three types of enzymes: carbohydrase, protease and lipase. A mixed enzyme treatment showed better reduction efficiency than a single enzyme treatment, and the highest volatile suspended solids (VSS) reduction was observed at an enzyme mixture ratio of 1:2:1 with carbohydrase:protease:lipase, respectively. It has been noted that pretreatment resulted in both maximum VFA production and the highest VFA content of soluble chemical oxygen demand at an enzyme mixture dosage of 0.1% (v/v). VFA production at this dosage revealed a 3.3 times higher rate than that of no‐enzyme added fermenter. The dominant VFAs were n‐butyrate followed by acetate. Copyright © 2006 Society of Chemical Industry
Participatory evaluation: a missing component in the sustainable social change equation for public services
Authors: Keast Robyn , Waterhouse Jennifer
Published: April 2006

This article draws on a case study of organizational change with the Queensland public sector to showcase the contribution participatory approaches to evaluation make to sustained change.

Key points outlined in the paper include: changes in human service organizations generally, and child welfare services in particular, have been proven to be difficult to achieve and sustain. Participatory processes including participatory evaluation are presented as key strategies to enhance the uptake of social and organizational change initiatives.

Parallels to continuous change models are found within policy formulation and evaluation theories. In particular, participative evaluation models share similarities to continuous change models through their reliance on self‐evaluation and self‐determination as means of promoting change.

A theoretical contribution to organizational change theories is made through the development of a change model that includes a participatory evaluation component as part of the equation for sustainable change. It is proposed that this model has a wider practical application.

Copyright © 2006 John Wiley & Sons, Ltd.
Net present value: the illusion of certainty
Authors: McSweeney Brendan
Published: April 2006

Too many fashionable strategic change ‘solutions’ suppose that uncertainty can be eliminated. This paper considers one such technique — net present value — and rejects its claimed ability to effectively determine the profitability of major future investment.

Copyright © 2006 John Wiley & Sons, Ltd.
Influence of the arabinoxylan composition on the susceptibility of mono‐ and dimeric ferulic acid release by Humicola insolens feruloyl esterases
Authors: Faulds Craig B , Mandalari Giuseppina , Lo Curto Rosario B , Bisignano Giuseppe , Waldron Keith W
Published: April 2006

Bioconversion of waste residues (by‐products) from cereal processing industries requires the cooperation of enzymes able to degrade xylanosic and cellulosic material. An enzyme preparation from Humicola insolens, Ultraflo, contains feruloyl esterases and glycoside hydrolases capable of solubilising brewers' spent grain and wheat bran, but total solubilisation was not achieved either through steric hindrance or through the lack of certain key activities. H. insolens feruloyl esterases released more diferulates from chemically extracted feruloylated arabinoxylan from both cereal sources than from the complex cell wall material, but less monomeric ferulic acid. The 8‐O‐4′‐form of diferulic acid was released only from spent grain‐derived material, whereas the chemically‐insoluble residue from wheat bran was more extensively degraded than the corresponding spent grain sample. Arabinoxylans with low amounts of arabinose substitutions were preferentially solubilised. These results show that some phenolic acids in cereals are less susceptible to enzyme and alkali cleavage than others. The results also show that the local environment and molecular arrangement of ferulic and diferulic acids on arabinoxylan chains differ between barley and wheat, thus influencing enzyme hydrolysis. Copyright © 2006 Society of Chemical Industry
Quantification of xylanase inhibitors by immunodetection: the way forward?
Authors: Furniss Caroline , Goldson Andrew , Aliwan Fraj , Chanliaud Elisabeth , Juge Nathalie
Published: April 2006

Wheat varieties exhibit a high level of variation in their xylanase inhibitor content with inter‐individual variations relative to the type of inhibitor. These variations may have a significant impact on the functionality of exogenous xylanases in cereal processing. So far, attempts to measure accurate levels of xylanase inhibitors in wheat varieties have been restricted by the detection method based on activity assays. This paper reports the use of antibodies as an alternative method to measure xylanase inhibitor levels in environmentally controlled wheat varieties. This method could be extended to other type of xylanase inhibitors in order to aid in selecting the wheat variety or the enzyme used in the application with regard to its sensitivity to the different inhibitors. Copyright © 2006 Society of Chemical Industry
Erosion‐corrosion of laser and thermally deposited coatings exposed in fluidised bed combustion plants
Authors: Hjörnhede A. , Sotkovszki P. , Nylund A.
Published: April 2006

Coated low alloyed steel tubes were exposed in two combustion power plants of the type Circulating Fluidised Bed (CFB) and Pressurised Fluidised Bed Combustion (PFBC). The power plants were fired with wood chips and coal with a small addition of olive seeds, respectively. In addition to laser coating two thermal spray techniques were used; arc‐spray (air as carrier gas) and High Velocity Oxy Fuel (HVOF). The sample locations in the PFBC plant were at the highest and lowest loops of a platen immersed in the fluidising bed. The material temperatures in each loop were 450 °C and 400 °C, respectively. The exposure lasted over two firing seasons for a total time of 8089 h. In the CFB plant a probe was located at the cyclone entrance where the material temperature was 630 °C for an exposure time of about 2100 h before being reduced to 480 °C for a further 920 h. The material wastage was determined from metallographic studies on cross‐sections of rings cut from the exposed tubes. The nature and chemical composition of the corrosion products and deposits formed were determined by SEM/EDX, Auger spectroscopy, XPS and XRD. Cobalt based coatings show the best performance in both the PFBC plant and the CFB plant, while nickel based coatings are resistant to a corrosive atmosphere but very sensitive to erosion. The degree of corrosion is much larger in the CFB plant as is clearly seen from the chromium carbide containing coating, which totally degraded in this environment. Contrary the performance of the same coating was excellent in the fluidised bed due to its high erosion resistance. The material wastage of a coating with a specific composition is independent of the deposition method. No significant differences in spallation behaviour occurred among coatings deposited with the different techniques.
Molecular Dynamics Simulation of the Fracture in Polymer‐Exfoliated Layered Silicate Nanocomposites
Authors: Song Mo , Chen Lei
Published: April 2006

Summary: The MD technique was used to investigate the fracture behavior in fully exfoliated layered silicate (nanoplatelet)‐polymer nanocomposites. MD results reveal that the addition of the nanoplatelets can improve the fracture strength of polymers. The interactions between the surface of the nanoplatelets and the segments of the polymer, and the relaxation time of polymer chains have significant influences on the fracture strength of the polymer. For polymers with Tg below room temperature, such as polyurethane, or close to room temperature, such as nylon, the nanoplatelets are always working for the enhancement of the mechanical properties. However, for polymers with Tg above room temperature, such as epoxy and polystyrene, the addition of the nanoplatelets is not working well for toughening these polymers. If the nanoplatelets are to enhance the mechanical properties of these polymers, it is necessary to build up a stress relaxation interface between the polymer and the nanoplatelet in order to reduce the effect of the difference between the relaxation time of nanofillers and that of polymers.

Force per area versus distance curves as a function of the difference of the relaxation times of the nanoplatelets and polymer chains.

magnified image

Force per area versus distance curves as a function of the difference of the relaxation times of the nanoplatelets and polymer chains.
Polymer/silica nanocomposites prepared via extrusion
Authors: Yang Feng , Nelson Gordon L.
Published: April 2006

Three polymer/silica nanocomposites were prepared by a single‐screw extrusion approach: poly(methyl methacrylate), polystyrene and polycarbonate/silica nanocomposites. The resulting nanocomposites were subjected to comprehensive studies of mechanical, thermal and flammability properties. All materials showed improved mechanical performance and thermal stabilities, although they are not strictly flame retardant when subjected to fire tests like Oxygen Index or horizontal Bunsen burner tests. However, the nanocomposites showed reduction in peak heat release rates and total heat release when evaluated by cone calorimetry. Moreover, the polycarbonate showed improvement in flammability according to vertical burning tests. All polycarbonate materials subjected to vertical burning testing are V2 rated, but after flame times with 1% silica were significantly reduced. A flame retardant mechanism is proposed in order to understand the relationship between interfacial interaction and flammability of polymer/silica nanocomposites. Copyright © 2006 John Wiley & Sons, Ltd.
EPR study of paramagnetic Fe3+ centers in iron‐implanted TiO2 rutile
Authors: Güler S. , Rameev B. , Khaibullin R. I. , Bayrakdar H. , Aktaş B.
Published: April 2006

Single crystals of iron‐implanted TiO2 rutile have been investigated by the electron paramagnetic resonance (EPR) technique at room temperature. The spectra have been interpreted to correspond to the transitions among the spin multiplet (S = 5/2, L = 0) of the paramagnetic Fe3+ ions. Analysis of the EPR spectra shows that iron in TiO2 rutile host substitutes for Ti4+ ions. Two equivalent Fe3+ centers have been observed in the EPR spectra in correspondence with two equivalent octahedral positions of the Ti ions in the rutile structure. Parameters of the crystal field of orthorhombic symmetry on the Fe3+ centers have been obtained as a result of computer modelling. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Magnetic study of Hitperm alloys (Fe0.5Co0.5)1–x –y –zMxByCuz (M = Hf, Zr, Nb)
Authors: Pękała M. , Kowalczyk M. , Kulik T.
Published: April 2006

A family of the Hitperm alloys (Fe0.5Co0.5)1–x –y –z Mx By Cuz (M = Hf, Zr, Nb) produced in an argon atmosphere as amorphous ribbons with 0.025 mm thickness are investigated up to 1200 K. The partial replacement of Fe by Co with optimal Fe0.5Co0.5 ratio increases the Curie temperature of the amorphous phase and the magnetic moment per formula unit. The early stages of crystallization can be observed by magnetization measurements. Alloys subjected to the first controlled crystallization stage are built of bcc‐(Fe,Co) nanocrystals that are homegeneously embedded in the amorphous matrix. Mean grain sizes are about 11 nm. These two‐phase alloys exhibit good soft magnetic properties with the relatively low coercive fields up to 50 A/m. Hafnium and hafnium/zirconium mixture are found to be the best inhibitors of the nanograin growth resulting in the best soft magnetic parameters. Alloys with niobium exhibit lower thermal stability and higher coercive fields. The correlation between the structure evolution and the magnetic properties is analysed and discussed. Conditions for optimum heat treatment are also determined. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
FMR study of ultrahigh vacuum e‐beam evaporated Co23Cu77 nanogranular films: Magnetotransport properties
Authors: Öksüzoglu R. Mustafa , Yalcın Nuh , Aktas Bekir , Fuess Hartmut
Published: April 2006

The magnetic, magnetotransport and structural properties of Co23Cu77 granular thin films (7–43 nm) have been investigated using ferromagnetic resonance (FMR) and high‐resolution XRD techniques. Co particles possess a crystalline fcc structure in the investigated films. A correlation between the GMR effect and the anisotropy field has been found, which increases with increasing film thickness. Temperature‐dependent FMR measurements revealed a blocking effect, which results from the competition of long range dipole–dipole interaction and anisotropy fields of Co particles. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
How does stochasticity in colonization accelerate the speed of invasion in a cellular automaton model?
Authors: Kawasaki Kohkichi , Takasu Fugo , Caswell Hal , Shigesada Nanako
Published: April 2006

We investigate the speed of invasion waves for a single species generated by stochastic short‐ and/or long‐distance colonizations in a time‐continuous cellular automaton (CA) model on a two‐dimensional homogenous landscape. By simulating the CA models, we demonstrate that stochasticity can dramatically increase the speed of invasion compared to the corresponding deterministic CA model or the corresponding one‐dimensional stochastic CA model. To explain this phenomenon, we first develop a mathematical model for the invasion involving only short‐distance colonization (i.e., colonization only occurs from the eight adjacent cells), and present several approximation methods for solving the model. Our analyses show that the increased wave speed in the stochastic model is due to irregularity in the shape of the wavefront. Further extension of this model to include long‐distance colonization demonstrates that stochasticity influences speeds to even greater extents in this case. Using dimension analysis, we deduced a semi‐empirical formula for the speed as a function of three parameters intrinsic to short‐ and long‐distance colonization, which agrees well with simulation results. Based on these results, we discuss how important stochasticity in colonization and spatial dimensionality are in the acceleration of invasion speed.
Regular physical exercise in patients with type II diabetes mellitus
Authors: Nakhanakhup C. , Moungmee P. , Appell H. J. , Duarte J. A.
Published: April 2006

It is widely accepted that regular physical exercise helps diabetic patients control blood glucose, reduce cardiovascular risk factors, and prevent other related complications. In spite of the undoubted benefits of regular physical exercise, diabetic patients with chronic complications should be aware of potential hazards of practicing exercise. To avoid some harmful consequences of acute exercise, it is necessary to adopt a vigilant attitude with these risk patients and to carefully adjust type and intensity of exercise to the individual situation. This article intends to summarize and analyze the current literature concerning the preventive and therapeutic effects of regular exercise in diabetic patients, pointing out its physiological influence on blood glucose regulation, and to analyze the potential risks of acute physical exercise and the precautions given to patients with a variety of complications.
Linking e‐service quality and markups: The role of imperfect information in the supply chain
Authors: Rabinovich Elliot
Published: April 2006

Consumers’ access to the Internet has greatly expanded their ability to compare offers across a wide array of retailers. In some particular industries (i.e., music), the Internet has also provided consumers with unprecedented opportunities to consider retail offers involving physical goods (i.e., CDs) alongside specialized services. As shown in this paper, these circumstances have important implications for the design and management of customer relationships. These circumstances also permeate relationships across retail and wholesale echelons in music supply chains. In particular, an empirical analysis shows that online consumer access to information on CD retail markups compels retailers to market a level of service quality that is consistent with that markup information. However, limitations in consumer access to markup data, available only to wholesalers and to Internet retailers, allow retailers to inversely link their markups to the fulfillment service quality offered to consumers with wholesaler support.
Vom Nutzen, die Arzt-Patienten-Beziehung aktiv zu gestalten oder von Somatisierung, Placebowirkungen und Komplementärmedizin
Authors: Knüsel
Published: April 2006

Die Abhängigkeit der Arzt-Patienten-Beziehung vom gesellschaftlichen Wandel wird kurz thematisiert. Eingehend wird aufgezeigt, warum gerade Patienten mit somatoformen bzw. funktionellen Störungen hohe Ansprüche an die ärztliche Beziehungskunst stellen. Die besonderen Beziehungsprobleme bei Somatisierung werden praxisbezogen dargestellt. Die Tatsache, dass somatisierende Patienten oft komplementärmedizinische Hilfe beanspruchen, wird zum Anlass genommen, mittels Analyse des Inhalts der Blackbox Placebo Heilfaktoren dingfest zu machen, auf denen grösstenteils der Erfolg der Komplementärmedizin beruht. Die Beschäftigung mit diesem Placebo-Geschehen eröffnet dem wissenschaftlich orientierten Arzt Möglichkeiten, diese Heilfaktoren Teil seiner Heilkunst zu machen: ein hoher komplementärmedizinischer «Placebokoeffizient» als Stimulans zur Optimierung des individuellen ärztlichen «Placebokoeffizienten»? Abschliessend wird eine praktische, auf die akademische Psychologie gestützte Vorgehensweise bei der Betreuung somatoform gestörter Patienten skizziert.
Der schwierige Diabetiker
Authors: Henzen
Published: April 2006

Die Diagnose Diabetes mellitus bewirkt bei einem Drittel der Kinder und Adoleszenten innert der ersten drei Monate eine psychiatrische Erkrankung, die nach neun Monaten meistens überwunden ist. Bei erwachsenen Diabetikern sind Depressionen häufiger assoziiert bei fortgeschrittenen makrovaskulären Komplikationen und visusvermindernder Retinopathie. Anhand von zwei Beispielen werden die häufigsten Ursachen einer schlechten Blutzuckerkontrolle bei insulinpflichtigen Diabetikern besprochen, die Insulin-Malcompliance, d. h. das bewusste Weglassen von Insulininjektionen zur Gewichtskontrolle bei jungen Frauen, und die Adipositas und Bewegungsarmut beim Typ-2-Diabetiker. Therapeutische Ansätze sind die multidisziplinäre und intensive Teambetreuung bzw. die Motivation zur Änderung des Lebensstils.
The adaptor protein Nck interacts with Fas ligand: Guiding the death factor to the cytotoxic immunological synapse
Authors: Lettau Marcus , Qian Jing , Linkermann Andreas , Latreille Mathieu , Larose Louise , Kabelitz Dieter , Janssen Ottmar
Published: April 2006

The Fas ligand (FasL) is a key death factor of cytotoxic T lymphocytes and natural killer cells. It is stored intracellularly as a transmembrane protein of secretory lysosomes. Upon activation, these vesicles are transported to the cytotoxic immunological synapse (IS), and FasL becomes exposed to the cell surface to trigger cell death through ligation of its receptor Fas (CD95) on the target cell. We propose that the FasL-associated adaptor protein Nck is involved in the actin-dependent transport of FasL-bearing secretory lysosomes to the IS. Nck binds to the proline-rich portion of FasL and alters its subcellular distribution when coexpressed in 293T cells. In T lymphocytes, endogenous Nck partially colocalizes with lysosome-associated FasL. When T cell clones or lines are exposed to target cells, both proteins and other components of secretory lysosomes (i.e., granzyme B or cathepsin D) are transported to the cell–cell interface. The present data suggest that T cell receptor engagement provokes a rapid, tyrosine kinase- and actin-dependent transport of Nck-associated FasL-carrying lysosomes to the contact area. Our observations support the previous notion that the unique cytoplasmic tail of FasL is crucial for its directed transport to the cell surface and into the assembling cytotoxic IS.
Rqh1 blocks recombination between sister chromatids during double strand break repair, independent of its helicase activity
Authors: Hope Justin C. , Mense Sarah M. , Jalakas Merle , Mitsumoto Jun , Freyer Greg A.
Published: April 2006

Many questions remain about the process of DNA double strand break (DSB) repair by homologous recombination (HR), particularly concerning the exact function played by individual proteins and the details of specific steps in this process. Some recent studies have shown that RecQ DNA helicases have a function in HR. We studied the role of the RecQ helicase Rqh1 with HR proteins in the repair of a DSB created at a unique site within the
Schizosaccharomyces pombe
genome. We found that DSBs in
rqh1
+
cells, are predominantly repaired by interchromosomal gene conversion, with HR between sister chromatids [sister-chromatid conversion (SCC)], occurring less frequently. In Δ
rqh1
cells, repair by SCC is favored, and gene conversion rates slow significantly. When we limited the potential for SCC in Δ
rqh1
cells by reducing the length of the G2 phase of the cell cycle, DSB repair continued to be predominated by SCC, whereas it was essentially eliminated in wild-type cells. These data indicate that Rqh1 acts to regulate DSB repair by blocking SCC. Interestingly, we found that this role for Rqh1 is independent of its helicase activity. In the course of these studies, we also found nonhomologous end joining to be largely faithful in
S. pombe
, contrary to current belief. These findings provide insight into the regulation of DSB repair by RecQ helicases.
HTS-Corrector: software for the statistical analysis and correction of experimental high-throughput screening data
Authors: Makarenkov Vladimir , Kevorkov Dmytro , Zentilli Pablo , Gagarin Andrei , Malo Nathalie , Nadon Robert
Published: April 2006

Motivation: High-throughput screening (HTS) plays a central role in modern drug discovery, allowing for testing of >100 000 compounds per screen. The aim of our work was to develop and implement methods for minimizing the impact of systematic error in the analysis of HTS data. To the best of our knowledge, two new data correction methods included in HTS-Corrector are not available in any existing commercial software or freeware.

Results: This paper describes HTS-Corrector, a software application for the analysis of HTS data, detection and visualization of systematic error, and corresponding correction of HTS signals. Three new methods for the statistical analysis and correction of raw HTS data are included in HTS-Corrector: background evaluation, well correction and hit-sigma distribution procedures intended to minimize the impact of systematic errors. We discuss the main features of HTS-Corrector and demonstrate the benefits of the algorithms.

Availability: The Microsoft Windows version and a detailed description of the software are freely available at the following URL:

Contact:  makarenkov.vladimir@uqam.ca
Integrating multi-attribute similarity networks for robust representation of the protein space
Authors: Çamoğlu Orhan , Can Tolga , Singh Ambuj K.
Published: April 2006

Motivation: A global view of the protein space is essential for functional and evolutionary analysis of proteins. In order to achieve this, a similarity network can be built using pairwise relationships among proteins. However, existing similarity networks employ a single similarity measure and therefore their utility depends highly on the quality of the selected measure. A more robust representation of the protein space can be realized if multiple sources of information are used.

Results: We propose a novel approach for analyzing multi-attribute similarity networks by combining random walks on graphs with Bayesian theory. A multi-attribute network is created by combining sequence and structure based similarity measures. For each attribute of the similarity network, one can compute a measure of affinity from a given protein to every other protein in the network using random walks. This process makes use of the implicit clustering information of the similarity network, and we show that it is superior to naive, local ranking methods. We then combine the computed affinities using a Bayesian framework. In particular, when we train a Bayesian model for automated classification of a novel protein, we achieve high classification accuracy and outperform single attribute networks. In addition, we demonstrate the effectiveness of our technique by comparison with a competing kernel-based information integration approach.

Availability: Source code is available upon request from the primary author.

Contact:  orhan@cs.ucsb.edu

Supplementary Information: Supplementary data are available on Bioinformatic online.
trans-Bis(benzyldiphenylphosphine)carbonylchlororhodium(I)
Authors: Meijboom Reinout , Muller Alfred , Roodt Andreas
Published: April 2006

In the title compound, trans-[RhCl(C19H17P)2(CO)], selected geometrical parameters are: Rh—P = 2.3204 (5) and 2.3365 (5) Å, Rh—Cl = 2.3687 (5) Å and Rh—C = 1.8007 (15) Å, and P—Rh—P = 179.005 (16)°, P—Rh—Cl = 88.807 (15)° and 90.529 (15)°, and Rh—C[triple-bond]O = 176.43 (13)°. The effective cone angles for the phosphine ligands were calculated to be 156 and 160°.
[2-Oxido-1-naphthaldehyde (2-hydroxybenzoyl)hydrazonato]pyridinecopper(II)
Authors: Xu Dong-Yan , Liu Ying , Liu Ming-Li , Wei Jun-Fa , Dou Jian-Min
Published: April 2006

The approximately planar complex molecule, [Cu(C18H12N2O3)(C5H5N)], contains one L
2− ligand (L
2− is the dianion of 2-hydroxy-1-naphthaldehyde 2-hydroxybenzoylhydrazone), one Cu atom and one pyridine molecule. The Cu centre shows square-planar N2O2Cu coordination. The tridentate dianion has an intramolecular N...H—O hydrogen bond. Each pair of adjacent molecules is linked together by π–π stacking and Cu...N interactions, which lead to the existence of a dimer. Owing to C—H...O hydrogen bonds, these dimers are further assembled into a two-dimensional framework.
2-Ammoniopropylammonium dodeca-μ-sulfido-tetrasulfidodecaantimony
Authors: Puls Angela , Näther Christian , Bensch Wolfgang
Published: April 2006

In the structure of the title compound, (C3H12N2)[Sb10S16], the SbS3 pyramids are interconnected to form a one-dimensional [Sb6S10]2− chain anion which contains 24-membered Sb12S12 rings that are interconnected. The structure-directing cations are located above and below this ring. Accepting Sb—S distances up to 3.2 Å, a three-dimensional thioantimonate(III) network results.
1-(2,5-Dimethyl-3-thienyl)-3,3,4,4,5,5-hexafluoro-2-(5-formyl-2-methyl-3-thienyl)cyclopent-1-ene: a new photochromic diarylethene compound
Authors: Pu Shou-Zhi , Luo Fu-Sheng , Wang Ru-Ji , Yang Tian-She
Published: April 2006

The title compound, C17H12F6OS2, is a new nonsymmetric photochromic diarylethene which contains 3-thienyl substituents. The distance between the two reactive C atoms in the molecule is 3.550 (7) Å. The dihedral angles between the central cyclopentene ring and two thiophene rings are 44.7 (3) and 43.6 (3)°.
trans-Dichlorodipyridinepalladium(II)
Authors: Liao Chuang-Yi , Lee Hon Man
Published: April 2006

In the structure of the title compound, [PdCl2(C5H5N)2], determined at 150 K, the Pd atom is located on an inversion centre. The structure is a polymorph of a previously reported structure [Viossat et al. (1993). Acta Cryst. C49, 84–85].
cis-3-Azabicyclo[3.2.0]heptane-2,4-dione
Authors: Butcher Ray J. , Hijji Yousef M. , Benjamin Ellis
Published: April 2006

The title compound, C6H7NO2, was synthesized from cis-1,2-cyclobutanedicarboxylic anhydride by reaction with ammonium acetate under microwave conditions. The crystal structure of the compound shows that the cyclobutane ring is planar with angles ranging from 89.64 (12) to 90.37 (12)°. The cis-3-azabicyclo[3.2.0]heptane-2,4-dione molecules are linked into a chain formation through hydrogen N—H...O=C bonds. Parallel packing is seen between two cyclobutane rings related by inversion symmetry.
9-[4-(4-Bromostyryl)phenyl]-9H-carbazole
Authors: Li Lin , Kong Lin , Zhu Chen-Hao
Published: April 2006

The title molecule, C26H18BrN, adopts the Z configuration and shows normal values of bond lengths and angles. The crystal packing is stabilized by van der Waals forces.
4-Hydroxy-4-methyl-2,6-diphenyl-5,6-dihydro-4H-1,3-thiazine
Authors: Koketsu Mamoru , Ebihara Masahiro , Ishihara Hideharu
Published: April 2006

In the title compound, C17H17NOS, the phenyl ring at position 6 of the thiazine ring is trans to the hydroxy group. The thiazine ring is in a sofa conformation.
2,2′-(Butane-1,4-diyl)dibenzimidazolium dichloride dihydrate
Authors: Dobrzańska Liliana , Lloyd Gareth O.
Published: April 2006

In the title compound, C18H24Cl2N4O2, a quarternary adduct consisting of two water molecules and two chloride ions binds the centrosymmetric 2,2′-(butane-1,4-diyl)dibenzimidazolium cations into two-dimensional hydrogen-bonded layers.
Ethyl 5-chloro-9-ethoxy-2-oxo-2H-pyrano[2,3-g]quinoline-8-carboxylate
Authors: Oliveira César D. de , Romeiro Gilberto A. , Skakle Janet M. S. , Wardell James L. , Wardell Solange M. S. V.
Published: April 2006

The title compound, C17H14ClNO5 has been shown to be isostructural with the bromo analogue, confirming the site of alkylation within the structure and the pyranoquinoline ring system. As with the bromo analogue, the molecules are linked by a C—H...O hydrogen bond forming C(5) chains along [001].
Longipilin acetate
Authors: Ospina Olga L. , Rojas Carlos A. , Vega Daniel
Published: April 2006

Longipilin acetate, C23H28O9, is a compound isolated from Espeletia killipii, a Colombian native plant. The molecule contains two non-planar rings, a ten-membered ring and a five-membered lactone. Various substituents around the ten-membered ring provide very weak intramolecular hydrogen-bonding interactions that determine the molecular folding.
5-Methyl-1,2,4-triazolo[1,5-a]pyrimidine-6-carbonitrile
Authors: Lokaj Jan , Kettmann Viktor , Katuščák Svetozár , Černuchová Petra , Milata Viktor , Gregáň Fridrich
Published: April 2006

The title compound, C7H5N5, was designed and synthesized as a potential antitumour agent. The molecules are located on crystallographic mirror planes. The electron-accepting 6-cyano group has no effect on the π-electron cloud of the heterocyclic system. The molecular packing is governed by C—H...N intermolecular hydrogen bonds, which link the molecules into chains running along the c axis.
A new ternary indide, Ce5Pt2In4, with the Lu5Ni2In4 structure type
Authors: Tursina Anna I. , Kurenbaeva Zhanaphiya M. , Shtepa Denis V. , Nesterenko Sergei N. , Noël Henri
Published: April 2006

The intermetallic title compound, pentacerium diplatinum tetraindide, crystallizes in space group Pbam and adopts the Lu5Ni2In4 structure type. One Ce atom exhibits site symmetry 2/m and all other atoms (two Ce, one Pt and two In) are located on mirror planes.
N-(3,5-Di-tert-butyl-4-hydroxybenzyl)phthalimide
Authors: Xin Chun-Wei , Li Jiang-Sheng , Guo Zhi-Xiong , Chen Li-Gong
Published: April 2006

In the title compound, C23H27NO3, the molecules are held together by intermolecular C—H...O hydrogen bonds and π–π stacking interactions.
Tetrahydroepiberberine
Authors: Wang Xiao-Ling
Published: April 2006

The title compound [systematic name: 6,6a,11,12-tetrahydro-8,9-dimethoxy-14H-dioxolo[4′,5′:7,8]isoquinolino[3,2-a]isoquinoline], also known as sinactine, C20H21NO4, a protoberberine-type alkaloid, was isolated from the roots of the plant Sinomenium acutum. Both piperidine rings adopt half-chair conformations.
A 1:1 cocrystal of 8-hydroxyquinoline and 5-methyl-1H-imidazole
Authors: Liu Zhi-Xiong , Meng Xiang-Gao
Published: April 2006

In the title compound, C9H7NO·C4H6N2, the imidazole ring is twisted away from the quinoline ring system with a dihedral angle of 60.8 (1)°. The crystal packing is stabilized by N—H...O, N—H...N, O—H...N hydrogen bonds and C—H...π interactions.
Dibromo{4-bromo-2-[2-(diethylaminoethyl)iminomethyl]phenolato}zinc(II)
Authors: You Zhong-Lu , Wang Jia , Han Xiao
Published: April 2006

The title compound, [ZnBr2(C13H19BrN2O)], is a mononuclear zinc(II) complex. The ZnII atom is four-coordinated in a tetrahedral configuration by one imine N and one phenolate O atoms of the Schiff base ligand, and by two terminal Br atoms. In the crystal structure, the molecules are linked through weak Br...Br interactions, forming chains running along [20\=1].
Aqua{2,2′-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}zinc(II)
Authors: Odoko Mamiko , Tsuchida Natsuko , Okabe Nobuo
Published: April 2006

In the title compound, [Zn(C17H16N2O2)(H2O)], the ZnII atom has a distorted pentacoordinate square-pyramidal geometry. A mirror plane passes through the ZnII atom, the central C atom of the propyl group and the O atom of the coordinated water molecule. The two planar Schiff base groups make a dihedral angle of 39.49 (6)°. The crystal packing is stabilized by weak intermolecular interactions via the coordinated water molecule.
4-(4-Chlorophenyl)-5-(4-methylphenyl)-3-(2-pyridyl)-4H-1,2,4-triazole
Authors: Zhang Shu-Ping , Liu Zhao-Di , Shao Si-Chang
Published: April 2006

In the title compound, C20H15ClN4, the two benzene rings form dihedral angles of 30.95 (9) and 70.69 (6)° with the triazole ring, and the dihedral angle between the triazole and the pyridine rings is 43.38 (8)°. Intermolecular C—H...N hydrogen bonds are observed in the crystal structure.
N,N,N′-Triacetyl-2,6-diamino-4-tert-butylanisole
Authors: Polson Matthew I. J. , Steel Peter J.
Published: April 2006

The solid state structure of the title compound, C17H24N2O4, reveals the imide unit to be planar and perpendicular to the plane of the benzene ring. In the crystal structure, adjacent molecules are hydrogen bonded through the amide unit.
4-Oxo-2,3,5,6-tetraphenylpiperidine-1-carbonitrile ethyl acetate hemisolvate
Authors: Suresh J. , Raja V. P. Alex , Natarajan S. , Perumal S. , Mostad A. , Krishnakumar R. V.
Published: April 2006

In the title compound, C30H24N2O·0.5C4H8O2, the piperidone ring adopts the chair conformation and all the phenyl rings are equatorially oriented. The ethyl acetate molecule is present as a space filler and does not participate in the hydrogen-bonding network. The crystal structure is stabilized through C—H...N and C—H...O hydrogen bonds. No significant C—H...π and π–π interactions are observed.
Bis{μ-2,2′-[ethane-1,3-diylbis(nitrilomethylidyne)]diphenolato}dizinc(II)
Authors: Odoko Mamiko , Tsuchida Natsuko , Okabe Nobuo
Published: April 2006

The crystal structure of the title compound, [Zn2(C16H14N2O2)2], shows the dimeric complex to be centrosymmetric. Distorted pentacoordinate square-pyramidal geometry is formed around ZnII, defined by two N atoms and two O atoms of the N,N′-bis(salicylidene)-1,2-ethylenediamine (salen) ligand and one bridging O atom of the adjacent ligand. Two salen ligands in this dimeric complex are twisted in opposite directions to each other.
Guanidinum diphenylphosphinate monohydrate
Authors: Najafpour M. Mahdi , McKee Vickie
Published: April 2006

Hydrogen bonding in the title structure, CH6N3
+·C12H10O2P−·H2O or [C(NH2)3]+[Ph2PO2]−·H2O, results in a bilayer architecture, which also involves π–π stacking interactions between pairs of guanidinium ions. All the cation H atoms are involved in hydrogen bonds, five to O atoms of the anion or solvent water and the sixth in an N—H...π interaction with a neighbouring phenyl ring.
(S)-2,2′-Diethoxy-1,1′-binaphthyl
Authors: Thorup Niels , Deussen Heinz-Josef , Bechgaard Klaus , Bjørnholm Thomas
Published: April 2006

The title molecule, C24H22O2, contains two planar naphthyl ring systems. The torsion angle around the the central C—C bond is 111.3 (2)° implying a transoid conformation with respect to the two ethoxy substituents. Only weak intermolecular interactions are present in the crystal structure.
catena-Poly[[diaquabis[(4-tolylsulfanyl)acetato-κO]nickel(II)]-μ-4,4′-bipyridine-κ2
N:N′]
Authors: Lin Hong , Su Hong , Feng Yun-long
Published: April 2006

The title complex, [Ni(C9H9O2S)2(C8H8N2)(H2O)2]
n
, contains 4,4′-bipyridine ligands linking six-coordinate NiII ions. Each NiII ion is in an octahedral environment, coordinated by two aqua ligands, two (4-tolylsulfanyl)acetate ligands and two bridging 4,4′-bipyridine ligands, generating linear chains; π–π interactions between adjacent chains result in a layered structure. A twofold rotation axis runs through the Ni atom and along the bridging ligand.
9-(3,4-Dichlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
Authors: Rong Liang-Ce , Li Xiao-Yue , Yao Chang-Sheng , Wang Hai-Ying , Shi Da-Qing
Published: April 2006

The title compound, C23H25Cl2NO2, was synthesized by the reaction of 5,5-dimethylcyclohexane-1,3-dione with 3,4-dichlorobenzaldehyde and ammonium acetate under solvent-free conditions at 353 K. X-ray analysis reveals that the dihydropyridine and cyclohexene rings adopt envelope conformations.
A nitrobenzene and dimethylformamide clathrate of (pyridine)[5,10,15-tris(4-cyanophenyl)-20-(2-quinolyl)porphyrinato]zinc(II)
Authors: Muniappan Sankar , Liptsman Sophia , Goldberg Israel
Published: April 2006

The title compound, [Zn(C50H26N8)(C5H5N)]·C6H5NO2·C3H7NO, is a nitrobenzene clathrate of a five-coordinate zinc–pyridine–porphyrin complex with different substituents at the meso positions of the metalloporphyrin core. The complex adopts a domed conformation with the central zinc ion deviating from the plane of the macrocyclic ring towards the apical pyridine ligand. The crystal packing is characterized by a layered arrangement of the porphyrin molecules with dipole–dipole interactions and weak hydrogen bonding contributing to the stabilization of the crystal structure. While the nitrobenzene solvent is well localized within the open porphyrin layers, molecules of the dimethylformamide are severely disordered in elongated interlayer channel voids
A trigonal polymorph of diphenylbis(triphenylsilyl)silane
Authors: Nordschild Simon , Auner Norbert , Bolte Michael
Published: April 2006

A new polymorph of diphenylbis(triphenylsilyl)silane, C48H40Si3, has been discovered. Until now, only an orthorhombic polymorph of the title compound was known. The newly found trigonal polymorph crystallizes in R\overline{3} with one molecule in the asymmetric unit.
Ethyl 4-(2-chloro-4-nitrophenoxy)benzoate
Authors: Chen Zheng-Bo , Wu Jun , Zhang Pei-Zhi , Zhang Pei-Min
Published: April 2006

The title compound, C15H12ClNO5, was synthesized by the reaction of ethyl 4-hydroxybenzoate and 1,2-dichloro-4-nitrobenzene in the presence of potassium hydroxide. In the V-shaped molecule, the dihedral angle between the two benzene rings is 72.90 (5)°.
catena-Poly[[triaquazinc(II)]-μ-5-hydroxyisophthalato-κ2
O:O′]
Authors: Xiao Hong-Ping
Published: April 2006

In the title compound, [Zn(C8H4O5)(H2O)3]
n
, the ZnII atom is in a five-coordinated environment defined by three aqua O atoms and two carboxylate O atoms from two different 5-hydroxyisophthalate dianions. In the 5-hydroxyisophthalate dianions, two carboxylate groups coordinate two ZnII cations in a bidentate bridging coordination mode, forming a zigzag chain. In addition, O—H...O intermolecular hydrogen bonds link the chains into a three-dimensional network.
catena-Poly[[bis(1,3-propylenediamine)zinc(II)]-μ-naphthalene-2,6-dicarboxylato-κ2
O
2:O
6]
Authors: Yu Rong , Jiang Ya-Qi , Xie Zhao-Xiong
Published: April 2006

The title compound, [Zn(C12H6O4)(C3H10N2)2]
n
, has been prepared from zinc(II), naphthalene-2,6-dicarboxylic acid (H2napdc) and 1,3-propylenediamine (pren). The Zn atom lies on a crystallographic centre of symmetry and is coordinated by two monodentate naphthalene-2,6-dicarboxylate ligands and two chelating 1,3-propylenediamine ligands in a distorted octahedral environment. The naphthalene-2,6-dicarboxylate ligands link the Zn atoms, forming a one-dimensional chain structure.
catena-Poly[[[μ-pyridine-2-carbaldehyde azine-κ4
N,N′:N′′,N′′′-bis[(triphenylphosphine-κP)copper(I)]]-μ-1,2-bis(4-pyridyl)ethene-κ2
N:N′] bis(tetrafluoroborate)]
Authors: Mo Juan , Qian Heng-Yu , Du Xiang-Dang , Chen Wen
Published: April 2006

In the title complex, {[Cu2(C12H10N2)(C12H10N4)(C18H15P)2](BF4)2}
n
, the cations form a linear chain, and are bridged by 1,2-bis(4-pyridyl)ethene and pyridine-2-carbaldehyde azine. Each CuI atom is coordinated by one P atom of a PPh3 ligand, two N atoms of a pyridine-2-carbaldehyde azine bridging ligand and one N atom of a bridging 1,2-bis(4-pyridyl)ethene ligand. There is a crystallographic centre of symmetry at the mid-point of the N—N bond.
1,6,12,15,18,23,25,41,45,57-Decakis(trifluoromethyl)-1,6,12,15,18,23,25,41,45,57-decahydro(C60–I
h)[5,6]fullerene
Authors: Kareev Ivan E. , Lebedkin Sergey F. , Popov Alexey A. , Miller Susie M. , Anderson Oren P. , Strauss Steven H. , Boltalina Olga V.
Published: April 2006

The title compound, C70F30,which has crystallographic twofold symmetry, is one of four isomers of C60(CF3)10. It has an idealized C60–I
h core, with the ten CF3 groups arranged on two symmetry-related para-para-para-meta-meta loops of five edge-sharing C6(CF3)2 hexagons. There are no cage Csp
3—Csp
3 bonds. There are intramolecular F...F contacts between pairs of neighboring CF3 groups, ranging from 2.523 (2) to 2.746 (2) Å.
1,6,11,16,18,26,36,44,48,58-Decakis(trifluoromethyl)-1,6,11,16,18,26,36,44,48,58-decahydro(C60–I
h)[5,6]fullerene benzene hemisolvate
Authors: Kareev Ivan E. , Lebedkin Sergey F. , Miller Susie M. , Anderson Oren P. , Strauss Steven H. , Boltalina Olga V.
Published: April 2006

The title compound, C70F30·0.5C6H6, which crystallizes with one half-molecule of benzene in the asymmetric unit, is one of four isomers of C60(CF3)10. The benzene molecule is disposed about a center of inversion. The fullerene molecule has an idealized C60–I
h core, with the ten CF3 groups arranged in an asymmetric para-para-para-meta-para-meta-para-meta-para (p
3
mpmpmp) ribbon of edge-sharing C6(CF3)2 hexagons. There are no cage Csp
3–Csp
3 bonds. There are intramolecular F...F contacts between pairs of neighboring CF3 groups, ranging from 2.565 (1) to 2.727 (1) Å.
Bis(3-ethoxy-4-hydroxybenzaldehyde thiosemicarbazonato-κ2
S,N)nickel(II) monohydrate
Authors: Jiang Li-Fang , Huang Zun-Xing , Chen Jia-Hong
Published: April 2006

In the crystal structure of the title compound, [Ni(C10H12N3O2S)2]·H2O, the NiII atom is located on an inversion center and is chelated by two hydroxyethoxybenzaldehyde thiosemicarbazonate anions in a square-planar geometry. The five-membered chelate ring assumes an envelope conformation, with the Ni atom lying at the flap position. The uncoordinated water molecule is disordered over another inversion center and is hydrogen bonded to the NiII complex.
Hexadecyltrimethylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato-κ2
S
4,S
5)nickelate(III)
Authors: Wang Yan-Ling , Xu Dong , Yu Wen-Tao , Wang Xin-Qiang , Zhang Guang-Hui
Published: April 2006

In the title complex, (C19H42N)[Ni(C3S5)2], the Ni atom is coordinated by four 2-thioxo-1,3-dithiole-4,5-dithiolate (dmit) S atoms. The [Ni(dmit)2]− monoanion has a planar geometry, with the central Ni atom and the four coordinated S atoms forming an NiS4 square plane. There are S...S intermolecular contacts in the crystal structure.
2-[3-(Methylphenoxymethyl)-5-phenyl-4H-1,2,4-triazol-4-yl]benzoic acid
Authors: Rajnikant  , Dinesh  , Deshmukh Madhukar Baburao , Shawney Anshu
Published: April 2006

The structure of the title compound, C23H19N3O3, has been determined as part of our study on the synthesis and crystallography of triazole derivatives. The hydroxyl group is involved in an O—H...N intermolecular interaction.
Di-μ-acetone-κ2
O:O-bis[(acetone-κO)aqualithium(I)] di-μ-acetone-κ2
O:O-bis[diaqualithium(I)] tetrakis{[phthalocyaninato(2−)-κ4
N,N′,N′′,N′′′]lithiate(I)}
Authors: Grossie David A. , Feld William A. , Scanlon Lawrence , Sandi Giselle , Wawrzak Zdzislaw
Published: April 2006

The crystals of the title compound, [Li2(C3H6O)4(H2O)2][Li2(C3H6O)2(H2O)4] [Li(C32H16N8)]4, were obtained by a recrystallization of dilithium phthalocyanine from an acetone/water/toluene solution. The title structure consists of two independent Li–phthalocyanine complexes along with acetone-bridged lithium dimers. The lithium dimers are located on inversion centers. The crystal structure is stabilized by a network of hydrogen bonds.
N′-(2-Methoxythiobenzoyl)pyridine-2-carbohydrazide
Authors: Singh N. K. , Butcher Ray J , Tripathi Pratibha
Published: April 2006

In the crystal structure of the title compound, C14H13N3O2S, intermolecular N—H...·O (H...O = 2.03 Å) and C—H...S (H...S = 2.77 Å) hydrogen bonds link molecules into a two-dimensional framework.
1,3-Bis(4-bromophenyl)prop-2-en-1-one
Authors: Ng Shea-Lin , Shettigar Venkataraya , Razak Ibrahim Abdul , Fun Hoong-Kun , Patil P. S. , Dharmaprakash S. M.
Published: April 2006

The enone group and the benzene rings of the title compound, C15H10Br2O, are each planar. The crystal packing is stabillized by weak intermolecular C—H...π interactions involving both aromatic rings; the molecules are stacked along the b axis.
Redetermination of trans-diaquabis(picolinato-κ2
N,O)cobalt(II) dihydrate
Authors: Heren Zerrin , Ersanlı Cem Cüneyt , Keser Cem , Ocak Ískeleli Nazan
Published: April 2006

The crystal structure of the title compound, [Co(C6H4NO2)2(H2O)2]·2H2O, has been reinvestigated with improved precision [previous reports: Chang et al. (1972). J. Coord. Chem. 2, 31–34; Lumme et al. (1969). Suom. Kemistil. B, 42, 270]. In the title compound, the Co atom is located on an inversion center and its coordination can be described as slightly distorted octahedral, equatorially trans-coordinated by two N and O atoms of two picolinate ligands and axially coordinated by two O atoms of the water molecules. Intermolecular O—H...O and C—H...O hydrogen-bonding interactions result in the formation of an intricate three-dimensional network.
Conformational isomers in (2RS,3SR,6SR)-3-ethyl-2,6-diphenyl-1-phenylacetyl-4-piperidone determined from synchrotron data at 120 K
Authors: Thanikasalam Kanagasabapathy , Jeyaraman Ramasubbu , Panchanatheswaran Krishnaswamy , Low John N. , Glidewell Christopher
Published: April 2006

In the title compound, C27H27NO2, the conformations of the two independent molecules differ in the shape of the piperidone rings, the orientation of the N-acyl substituents and the axial/equatorial disposition of the ethyl and phenyl groups. The molecules are linked into complex chains by four independent C—H...O hydrogen bonds.
1-(4-Bromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
Authors: Rosli Mohd Mustaqim , Patil P. S. , Fun Hoong-Kun , Razak Ibrahim Abdul , Dharmaprakash S. M. , Karthikeyan M. S.
Published: April 2006

In the title compound, C17H15BrO3, the dihedral angle between the benzene rings is 18.34 (13)°. The crystal structure is stabilized by intermolecular C—H...O interactions and Br...O short contacts.
3-(4-Methylphenyl)-2-(1-pyridyl)-3H-benzo[4,5]furo[3,2-d]pyrimidin-4-one
Authors: Hu Yang-Gen , Zheng Ai-Hua , Li Gui-Hua
Published: April 2006

In the crystal structure of the title compound, C22H21N3O2, the packing of the molecules is mainly governed by intermolecular C—H...O hydrogen bonds and π–π interactions.