bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Competitive Molecular Recognition Study: Syntheses and Analysis of Supramolecular Assemblies of 3,5‐Dihydroxybenzoic Acid and Its Bromo Derivative with Some N‐Donor Compounds
Authors: Varughese Sunil , Pedireddi Venkateswara Rao 
Published: October 2005

AbstractA molecular recognition study of 3,5‐dihydroxybenzoic acid (1) and its bromo derivative 4‐bromo‐3,5‐dihydroxybenzoic acid (2) with the N‐donor compounds 1,2‐bis(4‐pyridyl)ethene (bpyee), 1,2‐bis(4‐pyridyl)ethane (bpyea), and 4,4′‐bipyridine (bpy) is reported. Thus, the syntheses and structural analysis of molecular adducts 1 a–1 c (1 with bpyee, bpyea, and bpy, respectively) and 2 a–2 c (2 with bpyee, bpyea, and bpy, respectively) are discussed. In all these adducts, recognition between the constituents is established through either OH⋅⋅⋅N and/or OH⋅⋅⋅N/CH⋅⋅⋅O pairwise hydrogen bonds. In all the adducts both OH and COOH functional groups available on 1 and 2 interact with the N‐donor compounds, except in 2 a, in which only COOH (COO−) is involved in the recognition process. The COOH moieties in 1 a, 1 b, and 2 b form only single OH⋅⋅⋅N hydrogen bonds, whereas in 1 c and 2 c, they form pairwise OH⋅⋅⋅N/CH⋅⋅⋅O hydrogen bonds. In addition, subtle differences in the recognition patterns resulted in the formation of cyclic networks of different dimensions. In fact, only 1 c forms a four‐molecule cyclic moiety, as was already documented in the literature for this kind of assemblies. All complexes have been characterized by single‐crystal X‐ray diffraction. The supramolecular architectures are quite elegant and simple, with stacking of sheets in all adducts, but a rather complex network with a threefold interpenetration pattern was found in 2 c.
Strahlungsinduzierte Reaktionen und Extraktion
Authors: Demel G. , Knauss R. , Rohde C. , Marr R. , Siebenhofer M. 
Published: October 2005

AbstractHybridprozesse gewinnen in der chemischen Synthese und Produkttrennung nicht zuletzt aus energetischen Überlegungen zunehmend an Bedeutung. Bekanntestes Beispiel für einen Hybridprozess ist die Reaktivrektifikation. Grundsätzlich ist die Kombination von chemischer Reaktion mit thermischem Trennverfahren auf alle thermischen Grundverfahren übertragbar. Weniger dokumentiert ist, welche Reaktionstypen für die Einbindung in einen Hybridprozess geeignet sind. Das gilt auch für photochemische Reaktionen. Um diese Kombination prüfen zu können, wurde experimentell die photoinduzierte Veresterung von Essigsäure mit Methanol mit überlagerter Flüssig/Flüssig‐Extraktion untersucht. Das Beispiel wurde als Modellreaktion gewählt, da diese Veresterungsreaktion selbst photochemisch nicht katalysiert werden kann. Erst die Wahl eines geeigneten Katalysators, der photochemisch aktivierbar ist, ermöglicht die Veresterung. Die Katalysatorwahl wurde auf marktübliche Photokatalysatoren, die durch Aktivierung Protonen bilden, eingeschränkt.
Zebrafish protocadherin 10 is involved in paraxial mesoderm development and somitogenesis
Authors: Murakami Tohru , Hijikata Takao , Matsukawa Miho , Ishikawa Harunori , Yorifuji Hiroshi 
Published: October 2005

AbstractHere, we present the first report of the molecular cloning of zebrafish protocadherin 10 (Pcdh10, OL‐protocadherin) and describe its functional analyses in the development of segmental plate. Epitope‐tagged Pcdh10 expressed in embryos was localized on cell peripheries of adjacent cells. In situ hybridization showed that pcdh10 was expressed in the paraxial mesoderm (PAM) and developing somites, and in the pineal body, the diencephalon, and the vicinity of otocysts. Expression in PAM increased in the last few presumptive somites, reached the maximum level in the latest segmenting somites, and decreased thereafter during somite maturation. These expression patterns suggested that Pcdh10 is involved in development of PAM and somites. This was confirmed by morpholino knockdown and dominant‐negative inhibition of Pcdh10 in embryos, which disturbed movements of PAM cells and somite segmentation. Comparative studies showed that pcdh10 expression lasted up to approximately three times longer in maturing somites than that of paraxial protocadherin (pcdh8). They also indicated that the adaxial cells expressed pcdh8 but not pcdh10. We propose that Pcdh10 is involved in the morphogenic movements of PAM cells and somite segmentation and that differential adhesion of Pcdh8 and Pcdh10 plays a role in the morphogenic machinery of somites and adaxial cells. Developmental Dynamics 235:506–514, 2006. © 2005 Wiley‐Liss, Inc.
Help seeking and barriers to treatment in a community sample of Mexican American and European American women with eating disorders
Authors: Cachelin Fary M. , Striegel‐Moore Ruth H. 
Published: October 2005

AbstractObjectiveThe study examined treatment seeking for eating disorders in Mexican American and European American women.MethodOne hundred forty‐five women with eating disorders (76 Mexican American, 69 European American) were diagnosed using the Structured Clinical Interview for DSM‐IV‐TR (SCID‐IV) and Eating Disorder Examination (EDE).ResultsOnly 28% of the sample reported having sought treatment for their eating problems and only 17% had received treatment. Both groups were equally likely to believe they have significant eating problems and to want help. However, Mexican Americans were less likely to have sought treatment and, having sought help, were less likely to have been diagnosed or treated. European Americans were more likely to have utilized psychotherapists, psychiatrists, and psychotropic medications, whereas Mexican Americans largely had sought help from general practitioners for weight concern. The two groups endorsed similar barriers to treatment seeking.ConclusionResults support clinical impressions that eating disorders largely go undetected and untreated. Nonspecialists may be likely to fail to detect eating disorders. © 2005 by Wiley Periodicals, Inc.
Interaction of ICAM‐1 with β2‐integrin CD11c/CD18: Characterization of a peptide ligand that mimics a putative binding site on domain D4 of ICAM‐1
Authors: Frick Christoph , Odermatt Alex , Zen Ke , Mandell Kenneth J. , Edens Heather , Portmann Reto , Mazzucchelli Luca , Jaye David L. , Parkos Charles A. 
Published: October 2005

AbstractThe integrin CD11c/CD18 plays a role in leukocyte and cell matrix adhesion and is highly expressed in certain hematopoietic malignancies. To better characterize ligand binding properties, we panned random peptide phage‐display libraries over purified CD11c/CD18. We identified a phage expressing the circular peptide C‐GRWSGWPADL‐C. C‐GRWSGWPADL‐C phage bound specifically to CD11c/CD18 expressing monocytes but not CD11c/CD18 negative lymphocytes and showed 5 × 103‐fold higher binding to purified CD11c/CD18 than control phage, without binding to CD11b/CD18. Peptide sequence analysis revealed a similar sequence in domain D5 of ICAM‐1 and an alternative, phase‐shifted motif in domain D4. Surface plasmon resonance experiments demonstrated direct interaction of ICAM‐1 and CD11c/CD18. A soluble fusion protein containing the extracellular domain of ICAM‐1 abolished C‐GRWSGWPADL‐C phage binding to CD11c/CD18. Moreover, synthetic monomeric circular peptide C‐GRWSGWPADL‐C bound specifically to CD11c/CD18 and inhibited ICAM‐1 binding. Its rather low binding affinity and inability to displace pentavalent C‐GRWSGWPADL‐C phage from CD11c/CD18 suggests that a multimeric display of the selected peptide is essential for high affinity binding. Using ICAM‐1 deletion constructs, we showed that domain D4 is required for interaction with CD11c/CD18, suggesting that C‐GRWSGWPADL‐C phage binds specifically to CD11c/CD18 by structurally mimicking the interaction site on D4 of ICAM‐1.
Destructive potential of the aspartyl protease cathepsin D in MHC class II‐restricted antigen processing
Authors: Moss Catherine X. , Villadangos Jose A. , Watts Colin 
Published: October 2005

AbstractWhether specific proteases influence MHC class II antigen presentation is still not clearly defined. Cathepsin D, one of the most abundant lysosomal proteases, is thought to be dispensable for MHC class II antigen presentation, yet in vitro digestions of antigen substrates with endosomes/lysosomes from antigen‐presenting cells sometimes reveal a dominant role for pepstatin‐sensitive aspartyl proteases of which cathepsin D is the major representative. We tested whether the aspartyl protease substrate myoglobin requires cathepsin D activity for presentation to T cells. Surprisingly, in dendritic cells (DC) lacking cathepsin D, presentation of two different myoglobin T cell epitopes was enhanced rather than hindered. This paradox is resolved by the finding that pepstatin‐sensitive myoglobin processing activity persists in lysosomes from cathepsin D‐null DC and that this reduced activity, most likely due to cathepsin E, is closer to the optimum level required for myoglobin antigen presentation. Our results indicate redundancy among lysosomal aspartyl proteases and show that while processing activities can be productive for MHC class II T cell epitope generation at one level, they can become destructive above an optimal level.
A Synthetic Approach to Macrocyclic, Chiral Phosphane Derivatives with Crown‐Ether‐Like Structures
Authors: Theil Agnès , Hitce Julien , Retailleau Pascal , Marinetti Angela 
Published: October 2005

Abstract(S,S)‐Bis(2‐hydroxypropyl)(phenyl)phosphane oxide has been prepared, either by ring‐opening of (S)‐propylene oxide with dilithio(phenyl)phosphane or by catalytic hydrogenation of bis(2‐oxopropyl)(phenyl)phosphane oxide, promoted by ruthenium/MeO‐BIPHEP. Catalytic hydrogenation also allowed the enantioselective synthesis of (R,R)‐bis(2‐phenyl‐2‐hydroxyethyl)(phenyl)phosphane oxide from the corresponding diketone. These bis(β‐hydroxyalkyl)phosphane derivatives are suitable chiral starting materials for the synthesis of 1‐phospha‐10‐aza‐18‐crown‐6 derivatives, the first examples of optically pure, crown‐ether‐like, phosphorus‐containing macrocycles. One of them has been characterised by X‐ray diffraction study. Complexation of Na+ by the crown ether moiety of the macrocyclic ring has been observed by 1H NMR analysis. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Effect of Gas Dilution on PEM Fuel Cell Performance and Impedance Response
Authors: Boillot M. , Bonnet C. , Jatroudakis N. , Carre P. , Didierjean S. , Lapicque F. 
Published: October 2005

AbstractIn this work, an experimental study of gas dilution on the performance of a polymer electrolyte membrane (PEM) fuel cell was carried out. Impedance spectra were analysed depending on the dilution of either hydrogen or oxygen by nitrogen. By comparison of the impedance spectra obtained, the three loops were attributed to hydrogen oxidation, oxygen reduction and a low frequency diffusion process. Hydrogen oxidation was shown to be more complicated when the anode side was fed by a simulated reforming gas than with the same dilution rate with nitrogen.
δ13C tracing of dissolved inorganic carbon sources in Patagonian rivers (Argentina)
Authors: Brunet F. , Gaiero D. , Probst J. L. , Depetris P. J. , Gauthier Lafaye F. , Stille P. 
Published: October 2005

AbstractThe main Patagonian rivers (Colorado, Negro, Chubut, Deseado, Coyle, Chico, Santa Cruz and Gallegos) were sampled between September 1995 and November 1998 to determine their chemical and isotopic compositions, the origins of the suspended and dissolved river loads and their inputs to the South Atlantic Ocean. This paper focuses on the dissolved inorganic carbon (DIC) transport and its δ13C isotopic signature. The δ13CDIC values vary between −12·8 and −1·8‰ and allow one to distinguish two river groups: (i) the Colorado, Negro, Chubut and Santa Cruz, which display the highest values and the lowest seasonal variations; (ii) the Deseado, Coyle, Chico and Gallegos, which show the lowest values and the highest seasonal variations. For the first group, δ13CDIC is mainly controlled by important exchanges between the river waters and atmospheric CO2, due to the presence of lakes and dams. For the second group, δ13CDIC also appears to be controlled by the oxidation of organic carbon, showing a negative relationship between δ13CDIC and the dissolved organic carbon. These biogeochemical processes interfere with the contribution of carbonate and silicate weathering to the riverine DIC and do not allow use of δ13CDIC alone to distinguish these contributions.The annual DIC flux exported by Patagonian Rivers to the South Atlantic Ocean averages 621 × 109 g. of C, i.e. a specific yield of 2·7 g m−2 year−1. The mean δ13CDIC can be estimated to − 4·9‰, which is high compared with other rivers of the world. Copyright © 2005 John Wiley & Sons, Ltd.
Isotope evolution and contribution to geochemical investigations in aquifer storage and recovery: a case study using reclaimed water at Bolivar, South Australia
Authors: Le Gal La Salle C. , Vanderzalm J. , Hutson J. , Dillon P. , Pavelic P. , Martin R. 
Published: October 2005

AbstractAquifer storage and recovery (ASR) is an important resource management tool whereby water from an available source is stored in a suitable aquifer for later use in periods of higher demand. Important issues in ASR include maintaining the injection rate and recovering water of suitable quality. Both of these depend on subsurface biogeochemical processes. This paper investigates the use of deuterium, 18O, 13C, 14C and 34S in understanding the reactions induced by reclaimed water injection in a carbonate aquifer at Bolivar, South Australia. Additionally, the injection scheme provides a natural laboratory to observe the process of carbon isotope exchange. The injectant deuterium (−6·4 ± 2·9‰ versus Vienna standard mean ocean water (V‐SMOW)) and 18O (−0·9 ± 0·5‰ V‐SMOW) signature is more enriched and variable than the native groundwater signature of −26 ± 1‰ and −4·4 ± 0·1‰ respectively. The variability of the injectant signature is maintained with injectant migration and is useful in constraining the portion of the injected end‐member reaching observation wells. Effluent treatment results in total dissolved inorganic carbon (TDIC) enriched in 13C (−3·3 ± 2·5‰ versus Pee Dee belemnite) and modern carbon (100 ± 7 per cent modern carbon (pmC)), which is distinct from the native groundwater comparatively depleted in 13C (−11 ± 1‰) and 14C (5·6 ± 2·1 pmC). The carbon isotopic signature in groundwater 4 m from the ASR well is dominated by the injectant signature modified by some organic matter oxidation and calcite dissolution. However, with further migration to the 50 m radius, both 13C and 14C signatures are dominated by isotopic exchange with the matrix surface (initially in equilibrium with the ambient groundwater) and little overall dissolution. During storage, biogeochemical processes, including sulphate reduction and methanogenesis, are dominant near the ASR well. These are indicated by a sulphate decline of up to 1·5 mmol l−1 with around 12‰ enrichment in the residual sulphate (versus Canyon Diablo troilite) and the addition of TDIC enriched in 13C, while maintaining a modern 14C activity. Copyright © 2005 John Wiley & Sons, Ltd.
Sulphur cycling in the drinking water catchment area of Torgau–Mockritz (Germany): insights from hydrochemical and stable isotope investigations
Authors: Knöller K. , Trettin R. , Strauch G. 
Published: October 2005

AbstractThe hydrochemical composition of groundwater and the isotopic composition of sulphur compounds in sediments (δ34S of sulphide, inorganic sulphate) and groundwater (δ34S, δ18O of dissolved sulphate) have been investigated to reveal the reasons for elevated concentrations of dissolved groundwater sulphate in the drinking water catchment area of Torgau–Mockritz (Germany).The three most important anthropogenic sources of sulphate identified in this study are historic atmospheric sulphate deposition, predominantly of anthropogenic origin, inorganic fertilization, and dissolution of gypsum from waste dumps. Owing to their overlapping isotopic range, no clear differentiation between the individual anthropogenic sources is possible. Sulphate from the oxidation of sedimentary sulphides, however, was recognized by its negative sulphur isotope signature (δ34S < − 5‰).The mobilization of sulphate from different soil sulphur species is closely connected with variable isotopic fractionations, resulting in a wide isotopic variation range for the sulphate entering the saturated zone. Generally, sulphur and oxygen isotope ratios of the dissolved groundwater sulphate range from −19 to +37‰ (Vienna Cañon Diablo troilite) and from −2 to +19‰ (Vienna standard mean ocean water), respectively. Sulphate from the majority of groundwater samples can be assigned to anthropogenic sources. Sulphate from sulphide oxidation is especially present in samples from the upper sampling level and the groundwater surface. Sulphate concentrations above 700 mg l−1 are mostly caused by the oxidation of sulphide. Sulphate that occurs in low and moderate concentrations dominantly originates from anthropogenic sources.δ34S distribution patterns were used to locate the sources for the elevated sulphate concentrations in the raw water. It was shown that the sulphate is not mobilized in the immediate vicinity of the production wells. Rather, it originates in an area ∼1·5 km west of the intake. The main mobilization mechanism there is the oxidation of reduced sedimentary sulphur species.Beyond its local significance, this study presents a general example how changes in the sulphur cycle indicate major, anthropogenically induced alterations of the hydrochemical situation in catchment areas. Copyright © 2005 John Wiley & Sons, Ltd.
Electronic structure, chemical bonding, and finite‐temperature magnetic properties of full Heusler alloys
Authors: Kurtulus Yasemin , Gilleßen Michael , Dronskowski Richard 
Published: October 2005

AbstractThe electronic structure, chemical bonding, and magnetic properties of 15 full Heusler alloys X2MnZ have been studied on the basis of density‐functional theory using the TB‐LMTO‐ASA approach and the local‐density (LDA), as well as the generalized‐gradient approximation (GGA). Correlations between the chemical bondings derived from crystal orbital Hamilton population (COHP) analysis and magnetic phenomena are obvious, and different mechanisms leading to spin polarization and ferromagnetism are derived. As long as a magnetically active metal atom X is present, antibonding XX and XMn interactions at the Fermi level drive the systems into the ferromagnetic ground state; only if X is nonmagnetic (such as in Cu2MnZ), antibonding MnMn interactions arise, which again lead to ferromagnetism. Finite‐temperature effects (Curie temperatures) are analyzed using a mean‐field description, and a surprisingly simple (or, trivial) relationship between structural properties (MnMn interatomic distances) and TC is found, being of semiquantitative use for the prediction of the latter. © 2005 Wiley Periodicals, Inc. J Comput Chem 27: 90–102, 2006
Relativistic Gaussian basis sets for molecular calculations: Fully optimized single‐family exponent basis sets for HHg
Authors: Watanabe Yoshihiro , Tatewaki Hiroshi , Koga Toshikatsu , Matsuoka Osamu 
Published: October 2005

AbstractRelativistic single‐family exponent Gaussian basis sets for molecular calculations are presented for the 80 atoms 1H through 80Hg. The exponent parameters shared by Gaussian basis functions of all symmetry species are fully optimized. Two nucleus models of uniformly charged sphere and Gaussian charge distribution are considered and two kinds of basis sets are generated accordingly. The total energy errors are less than 2 mhartree in any atoms. Some of the present basis sets include small variational collapse (or prolapse), but test calculations show that they could be reliably applied to molecular calculations. © 2005 Wiley Periodicals, Inc. J Comput Chem 27: 48–52, 2006
Arterial input functions for dynamic susceptibility contrast MRI: Requirements and signal options
Authors: Conturo Thomas E. , Akbudak Erbil , Kotys Melanie S. , Chen Maison L. , Chun Steve J. , Hsu Raymond M. , Sweeney Caitlin C. , Markham Joanne 
Published: October 2005

AbstractCerebral perfusion imaging using dynamic susceptibility contrast (DSC) has been the subject of considerable research and shows promise for basic science and clinical use. In DSC, the MRI signals in brain tissue and feeding arteries are monitored dynamically in response to a bolus injection of paramagnetic agents, such as gadolinium (Gd) chelates. DSC has the potential to allow quantitative imaging of parameters such as cerebral blood flow (CBF) with a high signal‐to‐noise ratio (SNR) in a short scan time; however, quantitation depends critically on accurate and precise measurement of the arterial input function (AIF). We discuss many requirements and factors that make it difficult to measure the AIF. The AIF signal should be linear with respect to Gd concentration, convertible to the same concentration scale as the tissue signal, and independent of hematocrit. Complicated relationships between signal and concentration can violate these requirements. The additional requirements of a high SNR and high spatial/temporal resolution are technically challenging. AIF measurements can also be affected by signal saturation and aliasing, as well as dispersion/delay between the AIF sampling site and the tissue. We present new in vivo preliminary results for magnitude‐based (ΔR2*) and phase‐based (Δϕ) AIF measurements that show a linearity advantage of phase, and a disparity in the scaling of Δϕ AIFs, ΔR2* AIFs, and ΔR2* tissue curves. Finally, we discuss issues related to the choice of AIF signal for quantitative perfusion imaging. J. Magn. Reson. Imaging 2005. © 2005 Wiley‐Liss, Inc.
Direct Catalytic Hydrogenation of an Acrylonitrile‐Butadiene Rubber Latex Using Wilkinson's Catalyst
Authors: Wei Zhenli , Wu Jialong , Pan Qinmin , Rempel Garry L. 
Published: October 2005

AbstractSummary: Hydrogenated acrylonitrile‐butadiene rubber is a high‐performance elastomer that has found important applications in the automobile industry and petroleum fields. A new catalytic process has been investigated for producing hydrogenated acrylonitrile‐butadiene rubber by direct hydrogenation of the rubber in latex form using RhCl(PPh3)3 as catalyst. The reactions were achieved without the addition of any organic solvents. This is the first time that the direct catalytic hydrogenation of an acrylonitrile‐butadiene rubber latex has been successfully realized in the absence of any organic solvent with a conversion of higher than 95% without cross‐linking of the polymer.Effect of RhCl(PPh3)3/acrylonitrile‐butadiene rubber ratio on hydrogenation.magnified imageEffect of RhCl(PPh3)3/acrylonitrile‐butadiene rubber ratio on hydrogenation.
Rhythmic tongue movements during sleep: A peculiar parasomnia in Costello syndrome
Authors: Della Marca Giacomo , Rubino Marco , Vollono Catello , Vasta Isabella , Scarano Emanuele , Mariotti Paolo , Cianfoni Alessandro , Mennuni Gioacchino Francesco , Tonali Pietro , Zampino Giuseppe 
Published: October 2005

AbstractWe describe a peculiar parasomnia observed in four Costello infants, characterized by periodic rhythmic movements of the tongue. Ten Costello patients (4 male; age range 9 months to 29 years) underwent 1 full‐night laboratory‐based video polysomnography. The four youngest patients (2 male and 2 female; age range 9–31 months) presented during sleep repeated stereotyped movements of the tongue, producing a sucking‐like or licking‐like movement, mostly during non‐rapid eye movement (NREM) sleep. Rhythmic tongue movements in Costello syndrome show the features of an NREM sleep parasomnia. Tongue movements during sleep probably originate from brainstem structures and could be facilitated by an impaired control of the oropharyngeal and tongue muscles. © 2005 Movement Disorder Society