bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular Complexes of Simple Anions with Electron‐Deficient Arenes: Spectroscopic Evidence for Two Types of Structural Motifs for Anion–Arene Interactions
Authors: Chiavarino Barbara , Crestoni Maria Elisa , Fornarini Simonetta , Lanucara Francesco , Lemaire Joel , Maître Philippe , Scuderi Debora 
Published: July 2009

AbstractAnion–π interactions between a π‐acidic aromatic system and an anion are gaining increasing recognition in chemistry and biology. Herein, the binding features of an electron‐deficient aromatic system (1,3,5‐trinitrobenzene (TNB)) and selected anions (OH−, Br−, and I−) are examined in the gas phase by using the combined information derived from collision‐induced dissociation experiments at variable energy, infrared multiple‐photon dissociation spectroscopy, and quantum chemical calculations. We provide spectroscopic evidence for two different structural motifs of anion–arene complexes depending on the nature of the anion. The TNB–OR− complexes (R=H, or alkyl groups which were studied earlier) adopt an anionic σ‐complex structure whereby RO− attacks the aromatic ring with covalent bond formation, and develops a tetrahedral ring carbon bound to H and OR. The halide complexes rather conform to a structure in which the TNB moiety is hardly altered, and the halogen is placed on an unsubstituted carbon atom over the periphery of the ring at a C–X distance that is appreciably longer than a typical covalent bond length. The ensuing structural motif, previously characterized in the solid state and named weak σ interaction, is now confirmed by an IR spectroscopic assay in the gas phase, in which the sampled species are unperturbed by crystal packing or solvation effects.
Electrochemical Characterisation of 6‐Iodomaltose, 6′‐Iodomaltose and 6‐Iodomaltotriose on a Silver Cathode and Their One‐Pot Electrochemical Dimerisation to New Mixed O/C Maltotetraose and Maltohexaose Mimics
Authors: Alberti Angelo , Macciantelli Dante , Naggi Annamaria , Urso Elena , Torri Giangiacomo , Vismara Elena 
Published: July 2009

AbstractThe electrochemical reduction on silver of peracetylated 6‐iodo‐6‐deoxy‐β‐maltose (2), 6‐iodo‐6‐deoxy‐β‐maltotriose (3) and 6′‐iodo‐6′‐deoxy‐β‐maltose (4) has been investigated by cyclic voltammetry and performed on a preparative scale, according to the stoichiometry, CH2I(2–4)+e−→CH2.+I−. In agreement with the preparative electrolysis results, cyclic voltammetry showed different profiles for the reducing terminal‐iodinated 2 and 3 and for the non‐reducing terminal‐iodinated 4. Compounds 2 and 3 partly dimerised to maltotetraoses mimics 7 (6,6‐dimer) and 8 (5′,5′‐dimer) in 38 % overall yield and to maltohexaose mimics 12 (6,6‐dimer) and 13 (5′,5′‐dimer) in 30 % overall yield, respectively. Compounds 7 and 12 came from the dimerisation of CH2., primary radicals at C‐6, which could also abstract H‐5′, becoming CH3 and generating the C‐5′ quaternary radicals that dimerised in 8 and 13, respectively. These products were accompanied by the maltose derivatives 9, 10 and 11 a/b in 42 % overall yield and by the maltotriose derivatives 14, 15 and 16 in 48 % overall yield, respectively. Compounds 9, 14 and 10, 15 came from CH2. disproportionation to CH3 and CH2C, respectively (exocyclic double bond C‐6/C‐5). Compounds 11 a/b and 16 came from C‐5′ radical reduction, followed by acetate anion elimination (double bonds C‐6′/C‐5′ and C‐5′/C‐4′). In turn, 4 afforded only the 6′,6′‐dimer maltotetraose mimic 17 in 60 % yield, accompanied by the reduced maltose 18 in 20 % yield, in which the starting CH2I became CH3. Compounds 7, 8, 12, 13 and 17 belong to a class of mixed O/C malto‐mimic oligosaccharides wherein an unnatural CC bond between two saccharide units increases metabolic stability compared to their O‐analogues and modulates the sugar chain conformational flexibility, a fundamental parameter in determining protein–carbohydrate binding. Direct and spin‐trapping EPR studies substantiated the radical‐based nature of the dimerisation processes and allowed the identification of some of the paramagnetic species involved.
Prominent system of RFamide immunoreactive neurons in the rhopalia of box jellyfish (Cnidaria: Cubozoa)
Authors: Parkefelt Linda , Ekström Peter 
Published: July 2009

AbstractThe four visual sensory structures of a cubomedusa, the rhopalia, display a surprisingly elaborate organization by containing two lens eyes and four bilaterally paired pigment cup eyes. Peptides containing the peptide sequence Arg‐Phe‐NH2 (RFamide) occur in close association with visual structures of cnidarians, including the rhopalia and rhopalial stalk of cubomedusae, suggesting that RFamide functions as a neuronal marker for certain parts of the visual system of medusae. Using immunofluorescence we give a detailed description of the organization of the RFamide‐immunoreactive (ir) nervous system in the rhopalia and rhopalial stalk of the cubomedusae Tripedalia cystophora and Carybdea marsupialis. The bilaterally symmetric RFamide‐ir nervous system contains four cell groups and three morphologically different cell types. Neurites spread throughout the rhopalia and occur in close vicinity of the pigment cup eyes and the lower lens eye. Two commissures connect the two sides of the system and neurites of one rhopalial cell group extend into the rhopalial stalk. The RFamide‐ir nervous system in the rhopalia of cubomedusae is more widespread and comprises more cells than earlier discerned. We suggest that the system might not only integrate visual input but also signals from other senses. One of the RFamide‐ir cell groups is favorably situated to represent pacemaker neurons that set the swimming rhythm of the medusa. J. Comp. Neurol. 516:157–165, 2009. © 2009 Wiley‐Liss, Inc.
Effects of Fullerenes on Phospholipid Membranes: A Langmuir Monolayer Study
Authors: Wang Zhining , Yang Shihe 
Published: July 2009

AbstractWe investigate two‐component Langmuir monolayers of dipalmitoylphosphatidylcholine (DPPC)/C60 by recording surface pressure/area (π/A) and surface potential/area (ΔV/A) isotherms and by direct Brewster angle microscopy (BAM) imaging. Atomic force microscopy (AFM) is employed to study morphologies of the mixed monolayers transferred to a solid substrate by the Langmuir–Blodgett technique. C60 is shown to have little influence on isotherms of the DPPC/C60 monolayers even at a molar fraction as high as XC60=0.3. The elastic modulus (${C_{\rm{s}}^{ - 1} }$) versus π curves of the DPPC/C60 monolayers almost overlay each other, as well as that of pure DPPC, that is, the elasticities of pure DPPC monolayers and DPPC/C60 monolayers are remarkably similar. AFM studies reveal that fullerene flocs form at low surface pressures (π≤15 mN m−1), are gradually disaggregated and dispersed in the DPPC monolayer with increasing surface pressure up to 35 mN m−1, and are then progressively squeezed out to form protruded islands as the surface pressure increases up to 65 mN m−1. Our work provides experimental support to the computational result that C60 can dissolve in lipid bilayers without significantly compromising their mechanical properties, a finding which has important implications for the toxicity and development of drug vehicles from fullerene materials.
DIRT—danger ideation reduction therapy for obsessive–compulsive washers: a comprehensive guide to treatment
Authors: O'Connor Kieron 
Published: July 2009

AbstractDanger ideation reduction therapy (DIRT) for obsessive compulsive disorder (OCD) is a new intervention focusing on providing corrective information, and is the subject of a new comprehensive guide to treatment for compulsive washing. The components of DIRT are well presented in this manual‐based treatment and the documentation includes dialogues, filmed interviews with workers in dangerous occupations, and fact sheets to persuade the client to exchange beliefs about danger for beliefs about safety. The book is well organized and user friendly. Clinical trials have shown DIRT to be an effective treatment. Although DIRT as a stand alone therapy seems to offer some advantages over conventional CBT, it may function currently more as an adjunct to help cognitive restructuring. DIRT certainly encourages us to rethink some assumptions about the use of corrective information in treating OCD. Copyright © 2009 John Wiley & Sons, Ltd.Key Practitioner Message:• Danger ideation therapy is principally a cognitive approach.• Corrective information may help in the treatment of OCD for washing.• The application of DIRT in other types of OCD and symbolic contamination remains uncertain.
Preparation, Magnetic and Structural Study on Oxido‐Bridged Diiron(III) Complexes with Open‐Chain Tetrapyrrolic 2,2′‐Bidipyrrin Ligands
Authors: Bröring Martin , Köhler Silke , Ostapowicz Thomas , Funk Markus , Pietzonka Clemens 
Published: July 2009

AbstractFour (μ‐oxido)diiron(III) complexes of differently alkyl‐substituted 2,2′‐bidipyrrin ligands [(L)Fe]2O have been prepared by a one‐pot approach from the respectively substituted 2,2′‐bipyrroledialdehydes and 3,4‐dialkylpyrroles, and from a suitable source of trivalent iron, under alkaline conditions. Four single‐crystal X‐ray diffraction studies were undertaken on three of the new compounds as different solvates. The iron atoms are five‐coordinate in all cases, and the observed Fe–N and Fe–O distances are in the range of 2.024–2.082 Å and 1.761–1.818 Å, respectively. These bonds are (porphyrinato)iron‐like, typical for high spin iron(III) complexes, and clearly distinct from those observed for the respective mononuclear (chlorido)‐, (bromido)‐ and (iodido)iron(III)–2,2′‐bidipyrrins, which contain a central intermediate spin iron(III) ion in the solid state. All complexes contain two helically distorted tetrapyrrolic ligands with the same sense of helicity, but pack quite differently from one case to the other. A cleft is present on one side of the connecting oxygen atom, which is occupied either by a self‐complementary second molecule of the complex itself, or by a small molecule (dichloromethane, or pyrrole with N–H···O bond). The Fe–O‐Fe subunits are bent and can be grouped with respect to the Fe–O–Fe bond angle range of either 153.91–156.89° or 131.89–132.97°. All new compounds were investigated by analytical, spectroscopic and magnetic means and found weakly paramagnetic and dynamic with respect to helix inversion at ambient temperature in solution. SQUID magnetometry revealed antiferromagnetically coupled high spin iron(III) species with exchange coupling constants of J = –111 to –122 cm–1. The exchange coupling appears independent from the Fe–O–Fe angle as described earlier for related porphyrinoid and salen‐type (μ‐oxido)diiron(III) species. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Silylene/Oxazolidinone Double‐Locked Sialic Acid Building Blocks for Efficient Sialylation Reactions in Dichloromethane
Authors: Hanashima Shinya , Sato Ken‐ichi , Ito Yukishige , Yamaguchi Yoshiki 
Published: July 2009

AbstractWe describe efficient sialylation reactions in CH2Cl2 with the use of silylene/oxazolidinone double‐locked sialic acid building blocks. The building blocks were synthesized from 4,5‐oxazolidinone‐protected phenylthiosialoside. In sialylation reactions towards primary and relatively reactive secondary hydroxy groups on the galactosides, the double‐locked building blocks provided desired coupling products in good yields with excellent α‐selectivities. In the sialylation reaction with the C3‐OH of the galactoside, the double‐locked building blocks expressed significantly better α‐selectivity in comparison with the results obtained by using the oxazolidinone‐locked building block. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Synthesis and Supramolecular Properties of a Novel Octaphosphonate Porphyrin
Authors: Bhosale Sheshanath V. , Kalyankar Mohan B. , Langford Steven J. , Bhosale Sidhanath V. , Oliver Ruth F. 
Published: July 2009

AbstractTwo complementary routes were developed for preparing novel octaphosphonate porphyrins. The use of protected/deprotected phosphonate‐substituted precursors in the rational synthesis gave an overall yield 16 %. A more streamlined synthetic path gave 21 % overall yield of the target molecule. Octaphosphonate porphyrin possesses promising properties in supramolecular aggregate formation with cyclam. Cofacial reversible self‐assembly of a meso‐substituted octaphosphonate porphyrin with cyclam yields micrometer‐long nanowires with a height of about 1–1.5 nm. The resulting wires were characterized by UV/Vis absorption, emission and atomic force microscopy and transmission electron microscopy.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
Combining capillary electrophoresis with laser‐induced fluorescence detection for the analysis of Escherichia coli lysates
Authors: Wu Shu‐Feng , Chiu Tai‐Chia , Ho Wei‐Li , Chang Huan‐Tsung 
Published: July 2009

AbstractWith the goal of improving water quality control, in this study we combined CE‐LIF for the analysis of Escherichia coli lysates under discontinuous conditions. Prior to injecting a large‐volume protein sample, a plug of 0.2% w/v SDS was injected into the capillary filled with 2.0 M Tris‐borate (TB) solution (pH 10.3). During the courses of the process stacking, proteins migrated against the electroosmotic flow (EOF) and entered a 1.7% w/v poly(ethylene oxide) solution that has been prepared in 200 mM TB (pH 9.0). The stacked proteins were then separated through sieving and then detected at the cathodic end. The use of TB solutions containing 0.01% w/v poly(ethylene oxide) was essential for the preparation of the protein samples and E. coli lysates to minimize the extent of protein adsorption on the capillary wall. Under the optimized CE‐LIF conditions, we detected β‐Galactosidase with and without concentration at levels as low as 0.23 and 7.52 nM, respectively. Our approach allowed the detection of 3×102 E. coli cells based on the characteristic peaks of its lysates; in addition, we could detect the presence of 20 E. coli cells in a 50 mL sample of pond water within 24 h. In terms of the analyte migration time, the relative standard deviation of this CE‐LIF method was less than 1.3%. We also extended the practicality of this technique by applying it to the separation of mixtures of E. coli, Enterobacter aerogenes, and Salmonella enterica.
Nonparametric harmonic regression for estuarine water quality data
Authors: Autin Melanie A. , Edwards Don 
Published: July 2009

AbstractPeriodicity is omnipresent in environmental time series data. For modeling estuarine water quality variables, harmonic regression analysis has long been the standard for dealing with periodicity. Generalized additive models (GAMs) allow more flexibility in the response function. They permit parametric, semiparametric, and nonparametric regression functions of the predictor variables. We compare harmonic regression, GAMs with cubic regression splines, and GAMs with cyclic regression splines in simulations and using water quality data collected from the National Estuarine Reasearch Reserve System (NERRS). While the classical harmonic regression model works well for clean, near‐sinusoidal data, the GAMs are competitive and are very promising for more complex data. The generalized additive models are also more adaptive and require less‐intervention. Copyright © 2009 John Wiley & Sons, Ltd.
Multigrid convergence acceleration for implicit and explicit solution of Euler equations on unstructured grids
Authors: Ramezani Ali , Mazaheri Karim 
Published: July 2009

AbstractThe multigrid method is one of the most efficient techniques for convergence acceleration of iterative methods. In this method, a grid coarsening algorithm is required. Here, an agglomeration scheme is introduced, which is applicable in both cell‐center and cell‐vertex 2 and 3D discretizations. A new implicit formulation is presented, which results in better computation efficiency, when added to the multigrid scheme. A few simple procedures are also proposed and applied to provide even higher convergence acceleration. The Euler equations are solved on an unstructured grid around standard transonic configurations to validate the algorithm and to assess its superiority to conventional explicit agglomeration schemes. The scheme is applied to 2 and 3D test cases using both cell‐center and cell‐vertex discretizations. Copyright © 2009 John Wiley & Sons, Ltd.
Synthesis of Poly (2,2′‐(1,4‐phenylene) 5,5′‐bibenzimidazole) (para‐PBI) and Phosphoric Acid Doped Membrane for Fuel Cells
Authors: Yu S. , Zhang H. , Xiao L. , Choe E.‐W. , Benicewicz B. C. 
Published: July 2009

AbstractA detailed investigation of the polymerisation conditions for poly(2,2′‐(1,4‐phenylene)5,5′‐bibenzimidazole) (para‐PBI) in polyphosphoric acid (PPA) led to the preparation of high molecular weight polymer. The polymer solutions could be used directly to produce phosphoric acid (PA)‐doped PBI membranes by the PPA process. These membranes showed very high PA doping levels, i.e., up to ∼30 moles of PA per mole of PBI repeat unit. The ionic conductivity of the membranes was 0.24 S cm–1 at 160 °C. Fuel cell performance was measured at various operating conditions by changing temperature, pressure and gases and verified the high carbon monoxide (CO) tolerance of fuel cells operating at this temperature.
Is volatility risk priced in the KOSPI 200 index options market?
Authors: Yoon Sun‐Joong , Byun Suk Joon 
Published: July 2009

AbstractThe negative volatility risk premium is understood as a result for a hedging demand against market declines. Although this negative volatility risk premium is observed in most index options markets, there are some doubts about its presence in the KOSPI 200 index options market. The majority of KOSPI 200 index option holders do not possess any position in the underlying market; the composition of trading groups of the KOSPI 200 index options significantly differs from that of its underlying index; in this circumstance, the presence of a hedging demand is questionable. This study shows that volatility risk does not require a premium in the KOSPI 200 index options market. Rather, jump fears influence KOSPI 200 options. © 2009 Wiley Periodicals, Inc. Jrl Fut Mark 29:797–825, 2009
Genome‐wide high‐resolution analysis of DNA copy number alterations in NF1‐associated malignant peripheral nerve sheath tumors using 32K BAC array
Authors: Mantripragada Kiran K. , de Ståhl Teresita Díaz , Patridge Chris , Menzel Uwe , Andersson Robin , Chuzhanova Nadia , Kluwe Lan , Guha Abhijit , Mautner Victor , Dumanski Jan P. , Upadhyaya Meena 
Published: July 2009

AbstractNeurofibromatosis Type I (NF1) is an autosomal dominant disorder characterized by the development of both benign and malignant tumors. The lifetime risk for developing a malignant peripheral nerve sheath tumor (MPNST) in NF1 patients is ∼10% with poor survival rates. To date, the molecular basis of MPNST development remains unclear. Here, we report the first genome‐wide and high‐resolution analysis of DNA copy number alterations in MPNST using the 32K bacterial artificial chromosome microarray on a series of 24 MPNSTs and three neurofibroma samples. In the benign neurofibromas, apart from loss of one copy of the NF1 gene and copy number polymorphisms, no other changes were found. The profiles of malignant samples, however, revealed specific loss of chromosomal regions including 1p35‐33, 1p21, 9p21.3, 10q25, 11q22‐23, 17q11, and 20p12.2 as well as gain of 1q25, 3p26, 3q13, 5p12, 5q11.2‐q14, 5q21‐23, 5q31‐33, 6p23‐p21, 6p12, 6q15, 6q23‐q24, 7p22, 7p14‐p13, 7q21, 7q36, 8q22‐q24, 14q22, and 17q21‐q25. Copy number gains were more frequent than deletions in the MPNST samples (62% vs. 38%). The genes resident within common regions of gain were NEDL1 (7p14), AP3B1 (5q14.1), and CUL1 (7q36.1) and these were identified in >63% MPNSTs. The most frequently deleted locus encompassed CDKN2A, CDKN2B, and MTAP genes on 9p21.3 (33% cases). These genes have previously been implicated in other cancer conditions and therefore, should be considered for their therapeutic, prognostic, and diagnostic relevance in NF1 tumorigenesis. © 2009 Wiley‐Liss, Inc.
Longitudinal investigation of wandering behavior in department of veterans affairs nursing home care units
Authors: King‐Kallimanis Bellinda , Schonfeld Lawrence , Molinari Victor A. , Algase Donna , Brown Lisa M. , Kearns William D. , Davis Darlene M. , Werner Dennis H. , Beattie Elizabeth R. , Nelson Audrey L. 
Published: July 2009

AbstractObjectivesTo explore the extent of and factors associated with male residents who change wandering status post nursing home admission.DesignLongitudinal design with secondary data analyses. Admissions over a 4‐year period were examined using repeat assessments with the Minimum Data Set (MDS) to formulate a model understanding the development of wandering behavior.SettingOne hundred thirty‐four Veterans Administration (VA) nursing homes throughout the United States.ParticipantsIncluded 6673 residents admitted to VA nursing homes between October 2000 and October 2004.MeasurementsMDS variables (cognitive impairment, mood, behavior problems, activities of daily living and wandering) included ratings recorded at residents' admission to the nursing home and a minimum of two other time points at quarterly intervals.ResultsThe majority (86%) of the sample were classified as non‐wanderers at admission and most of these (94%) remained non‐wanderers until discharge or the end of the study. Fifty‐one per cent of the wanderers changed status to non‐wanderers with 6% of these residents fluctuating in status more than two times. Admission variables associated with an increased risk of changing status from non‐wandering to wandering included older age, greater cognitive impairment, more socially inappropriate behavior, resisting care, easier distractibility, and needing less help with personal hygiene. Requiring assistance with locomotion and having three or more medical comorbidities were associated with a decreased chance of changing from non‐wandering to wandering status.ConclusionA resident's change from non‐wandering to wandering status may reflect an undetected medical event that affects cognition, but spares mobility. Copyright © 2009 John Wiley & Sons, Ltd.