bluuebunny/crossref_metadata_2025_split huggingface dataset:
An Experimental and Density Functional Study of the Interaction of CuII Complexes of Diethylenetriamine (Dien) with Pyridine, Nicotinic Acid, and Nicotinamide: The Crystal Structure of [Cu(dien)(nicotinamide)(NO3)2]
Authors: Papanikolaou Panagiotis A. , Christidis Panagiotis C. , Chaviara Aikaterini Th. , Bolos Christos A. , Tsipis Athanassios C. 
Published: March 2006

AbstractThe reaction of pyridine (py), nicotinamide (nica), nicotinic acid (nic), and its nicotinate anion (nic–) with [Cu(dien)X2] (dien = diethylenetriamine; X = Br–, NO3–) in a 1:1 molar ratio affords the new compounds [Cu(dien)(py)(NO3)2], [Cu(dien)(nica)(NO3)2], [Cu(dien)(nic–)(NO3)(H2O)]·H2O, [Cu(dien)(nic–)(Br)(H2O)]·2H2O, and [Cu(dien)(NO3)(nic–)(Guo)]·5H2O. These compounds were characterized by elemental analysis, and their molecular structures were determined by spectroscopic methods (infrared and electronic spectra), magnetic susceptibility, and molar conductivity measurements, and further corroborated by geometry optimization using electronic structure calculation methods at the B3LYP/6‐31G(d,p) level of theory. The structural, bonding and electronic properties of the complexes are adequately described by B3LYP computational techniques. According to the experimental data, the complexes can be characterized in the solid state as mononuclear, with a distorted octahedral stereochemistry. The distorted octahedral stereochemistry adopted by the complexes was further confirmed by the X‐ray structure analysis of [Cu(dien)(nica)(NO3)2], which consists of a six‐coordinate Cu atom in a distorted octahedral environment constructed from four N atoms (three from dien and one from nica) and two O atoms from the loosely associated NO3– counteranions, with the former occupying the equatorial square plane of the octahedron and the latter the axial positions, Cu–O bond lengths being rather long (2.373 and 2.858 Å, respectively). Some substitution reactions have also been studied and are discussed in light of the electronic structure of the complexes computed at the B3LYP/6‐31G(d,p) level. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Study of Thermodynamic and Kinetic Stability of Transition Metal and Lanthanide Complexes of DTPA Analogues with a Phosphorus Acid Pendant Arm
Authors: Kotek Jan , Kálmán Ferenc K. , Hermann Petr , Brücher Ernő , Binnemans Koen , Lukeš Ivan 
Published: March 2006

AbstractThe thermodynamic and kinetic stabilities of the complexes of phosphonate and phenylphosphinate analogues of H5dtpa with selected transition‐ and lanthanide‐metal ions are presented. Both phosphorus‐containing ligands form thermodynamically very stable complexes, with stability constants comparable with or even higher than those reported for the parent H5dtpa. However, the kinetic inertness of their gadolinium(III) complexes against acid‐ and metal‐assisted decomplexations is surprisingly much lower. The half‐life times of gadolinium(III) complexes of the new ligands in the presence of excess of concurrent metal ions [copper(II) or europium(III)] are about 2–3 orders of magnitude shorter compared to H5dtpa and its amide derivatives. The behaviour can probably be attributed to steric strain in the new complexes, to the high affinity of phosphonate ligand for proton, and/or to easy formation of binuclear complexes, which act as intermediates in the complex dissociation. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
Phosphanylborohydrides: First Assessment of the Relative Lewis Basicities of [BH3PPh2]–, CH3PPh2, and HPPh2
Authors: Dornhaus Franz , Bolte Michael , Lerner Hans‐Wolfram , Wagner Matthias 
Published: March 2006

AbstractThe compounds K[PPh2], HPPh2, CH3PPh2, BH3(H)PPh2, BBr3(H)PPh2, BH3(CH3)PPh2, BBr3(CH3)PPh2, [H2PPh2]I, [CH3(H)PPh2]I, [(CH3)2PPh2]I, and K[(BH3)2PPh2] have been investigated by NMR spectroscopy. In addition, X‐ray crystal structures have been determined for K(18‐crown‐6)[PPh2], BBr3(H)PPh2, BBr3(CH3)PPh2, [H2PPh2]I, [CH3(H)PPh2]I, [(CH3)2PPh2]I, and K(18‐crown‐6)[(BH3)2PPh2]. An evaluation of coupling constants (e.g. 1JPCi; Ci = ipso carbon atom of a phenyl ring) augmented by an inspection of key structural parameters (e.g. the angles Ci–P–Ci′) leads to the conclusion that dative bonds originating from ligand [BH3PPh2]– possess a significantly higher p character than dative bonds involving the ligands HPPh2 and CH3PPh2. The 1JPB values obtained for BH3(H)PPh2, BH3(CH3)PPh2, and [(BH3)2PPh2]– suggest [BH3PPh2]– to form the strongest [BH3] adduct of all three compounds which is in agreement with the results of displacement reactions employing the couples CH3PPh2/[(BH3)2PPh2]– and [BH3PPh2]–/BH3(CH3)PPh2. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)
The topographic data source of digital terrain models as a key element in the accuracy of hydraulic flood modelling
Authors: Casas A. , Benito G. , Thorndycraft V.R. , Rico M. 
Published: March 2006

AbstractThe effects of the topographic data source and resolution on the hydraulic modelling of floods were analysed. Seven digital terrain models (DTMs) were generated from three different altimetric sources: a global positioning system (GPS) survey and bathymetry; high‐resolution laser altimetry data LiDAR (light detection and ranging); and vectorial cartography (1:5000). Hydraulic results were obtained, using the HEC‐RAS one‐dimensional model, for all seven DTMs. The importance of the DTM's accuracy on the hydraulic modelling results was analysed within three different hydraulic contexts: (1) the discharge and water surface elevation results from the hydraulic model; (2) the delineation of the flooded area; and (3) the relative sensitivity of the hydraulic model to changes in the Manning's n roughness coefficient. The contour‐based DTM was the least accurate with a root mean square error (RMSE) of 4·5 m in the determination of the water level and a variation of up to 50 per cent in the estimation of the inundated area of the floodplain. The GPS‐based DTM produced more realistic water surface elevation results and variations of up to 8 per cent in terms of the flooded area. The laser‐based model's RMSE for water level was 0·3 m, with the flooded area varying by less than 1 per cent. The LiDAR data also showed the greatest sensitivity to changes in the Manning's roughness coefficient. An analysis of the effect of mesh resolution indicated an influence on the delineation of the flooded area with variations of up to 7·3 per cent. In addition to determining the accuracy of the hydraulic modelling results produced from each DTM, an analysis of the time–cost ratio of each topographic data source illustrates that airborne laser scanning is a cost‐effective means of developing a DTM of sufficient accuracy, especially over large areas. Copyright © 2006 John Wiley & Sons, Ltd.
Relative contributions of runoff and sediment from sources within a road prism and implications for total sediment delivery
Authors: Croke Jacky , Mockler Simon , Hairsine Peter , Fogarty Peter 
Published: March 2006

AbstractThis study examines runoff and sediment generation rates within the road prism on unsealed road segments in the Cuttagee Creek catchment near Bermagui in New South Wales, Australia. A large (600 m2) rainfall simulator was used to measure runoff and sediment yields from each of the potential sediment and runoff sources and pathways. These included the road surface, table‐drain, upslope contributing area and cutslope face, and the entire road segment as measured at the drain outlet. Experiments were conducted on two major types of road (ridge‐top and cut‐and‐fill) of varying traffic usage and maintenance standard for two 30‐minute simulations of increasing rainfall intensity. From the range of possible sources within the road prism, the road surface produced the dominant source of excess runoff and sediment at each site with limited contributions from the table‐drain, cutslope face or contributing hillslope. Sediment generation varied significantly with road usage and traffic intensity. Road usage was strongly related to the amount of loose available sediment as measured prior to the experiments. Table‐drains acted primarily as sediment traps during the low rainfall event but changes in sediment concentration within the drains were observed as runoff volumes increased during the higher rainfall event of 110 mm h−1, releasing sediment previously stored in litter and organic dams. The experiments demonstrate the potential roles of various features of the road prism in the generation and movement of sediment and water. Copyright © 2006 John Wiley & Sons, Ltd.
Gullying and erosion control at archaeological sites in Grand Canyon, Arizona
Authors: Pederson Joel L. , Petersen Paul A. , Dierker Jennifer L. 
Published: March 2006

AbstractGully erosion of cultural sites in Grand Canyon National Park is an urgent management problem that has intensified in recent decades, potentially related to the effects of Glen Canyon Dam. We studied 25 gullies at nine sites in Grand Canyon over the 2002 monsoon–erosion season to better understand the geomorphology of the gully erosion and the effectiveness of erosion‐control structures (ECS) installed by the park under the direction of the Zuni Conservation Program. Field results indicate that Hortonian overland flow leads to concentrated flow in gullies and erosion focused at knickpoints along channels as well as at gully heads. Though groundcover type, soil shear strength and permeability vary systemat‐ically across catchments, gradient and, to a lesser degree, contributing drainage area seem to be the first‐order controls on gully extent, location of new knickpoints, and ECS damage. The installed ECS do reduce erosion relative to reaches without them and initial data suggest woody checkdams are preferable to rock linings, but maintenance is essential because damaged structures can exacerbate erosion.Topographic data from intensive field surveys and detailed photogrammetry provide slope–contributing area data for gully heads that have a trend consistent with previous empirical and theoretical formulations from a variety of landscapes. The same scaling holds below gully heads for knickpoint and ECS topographic data, with threshold coefficients the lowest for gully heads, slightly higher for knickpoints, and notably higher for damaged ECS. These topographic thresholds were used with 10‐cm digital elevation models to create simple predictive models for gully extent and structure damage. The model predictions accounted for the observed gullies but there are also many false‐positives. Purely topographical models are probably inadequate at this scale and application, but models that also parameterize the variable soil properties across sites would be useful for predicting erosion problems and ECS failure. Copyright © 2006 John Wiley & Sons, Ltd.
Geostatistical mapping of geomorphic variables in the presence of trend
Authors: Lark R. M. , Webster R. 
Published: March 2006

AbstractMapping geomorphic variables geostatistically, specifically by kriging, runs into difficulties when there is trend. The reason is that the variogram required for the kriging must be of residuals from any trend, which in turn cannot be estimated optimally by the usual method of trend surface analysis because the residuals are correlated. The difficulties can be overcome by the use of residual maximum likelihood (REML) to estimate both the trend and the variogram of the residuals simultaneously.We summarize the theory of REML as it applies to kriging in the presence of trend. We present the equations to show how estimates of the trend are combined with kriging of residuals to give empirical best linear unbiased predictions (E‐BLUPs). We then apply the method to estimate the height of the sub‐Upper‐Chalk surface beneath the Chiltern Hills of southeast England from 238 borehole data. The variogram of the REML residuals is substantially different from that computed by ordinary least squares (OLS) analysis. The map of the predicted surface is similar to that made from kriging with the OLS variogram. The variances, however, are substantially larger because (a) they derive from a variogram with a much larger sill and (b) they include the uncertainty of the estimate of the trend. Copyright © 2006 John Wiley & Sons, Ltd.
Efficacy of atelocollagen honeycomb scaffold in bone formation using KUSA/A1 cells
Authors: Rodriguez Andrea Paola , Missana Liliana , Nagatsuka Hitoshi , Gunduz Mehmet , Tsujigiwa Hidetsugu , Rivera Rosario , Nagai Noriyuki 
Published: March 2006

AbstractTo induce new bone formation, mesenchymal stem cells were seeded onto atelocollagen honeycomb scaffold. We evaluated the efficacy of this scaffold combined with KUSA/A1 cells in vivo. KUSA/A1 cells alone and with atelocollagen were implanted in the subcutaneous pockets of 4‐week‐old male SCID mice. The transplants were subjected to radiographical, histological, and immunohistochemical examinations after 2 and 4 weeks of implantation. Radiographically, both KUSA/A1 cells alone and KUSA/A1‐atelocollagen showed some radiopaque areas formation but the latter disclosed a larger amount. Histologically, KUSA/A1 cells alone showed few small islands of new bone formation surrounded by a thin layer of cellular proliferation. On the other hand, KUSA/A1‐atelocollagen revealed abundant new bone formation as well as cellular proliferation. We also determined the immunolocalization of type I collagen, CD34, osteocalcin, osteopontin, and PCNA in this newly formed bone. Our results indicated that collagen scaffold plays an important role allowing vessel formation and cell anchorage, especially through the proliferation and differentiation process in a confined space. This study supports tissue engineering as an alternative for treating different target diseases, such as trauma or congenital defects, and enhances existing therapeutic applications. © 2006 Wiley Periodicals, Inc. J Biomed Mater Res, 2006
Functionalized chitosan/NIPAM (HEMA) hybrid polymer networks as inserts for ocular drug delivery: Synthesis, in vitro assessment, and in vivo evaluation
Authors: Verestiuc Liliana , Nastasescu Oana , Barbu Eugen , Sarvaiya Indrajeetsinh , Green Keith L. , Tsibouklis John 
Published: March 2006

AbstractA series of hybrid polymeric hydrogels, prepared by the reaction of acrylic acid‐functionalized chitosan with either N‐isopropylacrylamide or 2‐hydroxyethyl methacrylate monomers, were synthesized, pressed into minitablets, and investigated for their ability to act as controlled release vehicles for ophthalmic drug delivery. For comparison, interpolymeric complex analogues synthesized using the same monomers and pure, unfunctionalized chitosan were examined by means of an identical characterization protocol. The effects of network structure and composition upon the swelling properties, adhesion behavior, and drug release characteristics were investigated. Comparative in vitro studies employing chloramphenicol, atropine, norfloxacin, or pilocarpine informed the selection of drug‐specific carrier compositions for the controlled delivery of these compounds. In addition, in vivo (rabbit model) experiments involving the delivery of pilocarpine indicated that chitosan‐based hybrid polymer networks containing 2‐hydroxyethyl methacrylate are useful carriers for the delivery of this therapeutic agent. © 2006 Wiley Periodicals, Inc. J Biomed Mater Res 2006
Ectopia cordis in a fetus with trisomy 18
Authors: Shaw Sheng‐Wen , Cheng Po‐Jen , Chueh Ho‐Yen , Chang Shuenn‐Dyh , Soong Yung‐Kuei 
Published: March 2006

AbstractTrisomy 18 is the second‐most common autosomal trisomy and represents one third of the chromosomal trisomies identified prenatally. We present a case of a fetus with trisomy 18 in which thoracoabdominal ectopia cordis was detected prenatally; it was noted as a dominant defect on a sonographic examination performed at 19 weeks' gestation. Furthermore, our case exhibits a rare type of multiple‐marker screening result with increased maternal serum alpha‐fetoprotein. This case demonstrates the need for thorough sonographic evaluation of the fetal thoracoabdominal wall as early as possible, because fetal ectopia cordis can be the major abnormality of trisomy 18. © 2006 Wiley Periodicals, Inc. J Clin Ultrasound 34:95–98, 2006
B‐flow sonographic demonstration for assessing carotid atherosclerosis in young patients with heterozygous familial hypercholesterolemia
Authors: Noto Nobutaka , Okada Tomoo , Yoshino Yayoi , Harada Kensuke 
Published: March 2006

AbstractPurpose:To determine whether bloodstream swirls detected with B‐mode flow (B‐flow) sonography at the region of the carotid bifurcation can predict the early progression of atherosclerosis, we prospectively examined the relationships between the size of bloodstream swirls as identified with B‐flow sonography, the local mechanical behavior of the common carotid artery (CCA), and some cardiovascular risk factors in young patients with heterozygous familial hypercholesterolemia (FH).Methods:Thirty‐eight young patients (mean age 25.8 ± 14.1 years) with FH were evaluated for the following parameters: age, sex, body mass index, degree of dyslipidemia, presence of a plaque, intima‐media thickness (IMT), elastic modulus (Ep) and internal diameter of the CCA via duplex scan, wall shear stress, maximal diameter of the bloodstream swirl (Sm) at bifurcation, maximal diameter of the CCA (Cm) at the level of the swirl's center, and diameter ratio (Sm/Cm) via B‐flow sonography.Results:Bloodstream swirls of varying size at the site of bifurcation were observed in all patients. Six (15.7%) out of 38 patients exhibited plaques at bifurcation. All plaques were located at the far wall and were in contact with the distal portion of the bloodstream swirl as observed with B‐flow sonography. Univariate analysis revealed that Sm/Cm and Sm were positively correlated with age, presence of a plaque, IMT, and Ep and were negatively correlated with shear stress. Multivariate analysis revealed that Sm was significantly correlated with age (P < 0.01) and Ep (P < 0.05).Conclusions:Our results suggest that a bloodstream swirl visualized at the carotid bifurcation with B‐flow sonography may be an indicator of a local mechanism for the age‐related progression of atherosclerosis in young patients with FH. © 2006 Wiley Periodicals, Inc. J Clin Ultrasound 34:43–49, 2006
Early evolution of vertebrate skeletal tissues and cellular interactions, and the canalization of skeletal development
Authors: Donoghue Philip Conrad James , Sansom Ivan James , Downs Jason Philip 
Published: March 2006

AbstractThe stratigraphically earliest and the most primitive examples of vertebrate skeletal mineralization belong to lineages that are entirely extinct. Therefore, palaeontology offers a singular opportunity to address the patterns and mechanisms of evolution in the vertebrate mineralized skeleton. We test the two leading hypotheses for the emergence of the four skeletal tissue types (bone, dentine, enamel, cartilage) that define the present state of skeletal tissue diversity in vertebrates. Although primitive vertebrate skeletons demonstrate a broad range of tissues that are difficult to classify, the first hypothesis maintains that the four skeletal tissue types emerged early in vertebrate phylogeny and that the full spectrum of vertebrate skeletal tissue diversity is explained by the traditional classification system. The opposing hypothesis suggests that the early evolution of the mineralized vertebrate skeleton was a time of plasticity and that the four tissue types did not emerge until later. On the basis of a considerable, and expanding, palaeontological dataset, we track the stratigraphic and phylogenetic histories of vertebrate skeletal tissues. With a cladistic perspective, we present findings that differ substantially from long‐standing models of tissue evolution. Despite a greater diversity of skeletal tissues early in vertebrate phylogeny, our synthesis finds that bone, dentine, enamel and cartilage do appear to account for the full extent of this variation and do appear to be fundamentally distinct from their first inceptions, although why a higher diversity of tissue structural grades exists within these types early in vertebrate phylogeny is a question that remains to be addressed. Citing recent evidence that presents a correlation between duplication events in secretory calcium‐binding phosphoproteins (SCPPs) and the structural complexity of mineralized tissues, we suggest that the high diversity of skeletal tissues early in vertebrate phylogeny may result from a low diversity of SCPPs and a corresponding lack of constraints on the mineralization of these tissues.J. Exp. Zool. (Mol. Dev. Evol.) 306B, 2006. © 2006 Wiley‐Liss, Inc.
Multislice dark‐blood carotid artery wall imaging: A 1.5 T and 3.0 T comparison
Authors: Koktzoglou Ioannis , Chung Yiu‐Cho , Mani Venkatesh , Carroll Timothy J. , Morasch Mark D. , Mizsei Gabor , Simonetti Orlando P. , Fayad Zahi A. , Li Debiao 
Published: March 2006

AbstractPurposeTo compare two multislice turbo spin‐echo (TSE) carotid artery wall imaging techniques at 1.5 T and 3.0 T, and to investigate the feasibility of higher spatial resolution carotid artery wall imaging at 3.0 T.Materials and MethodsMultislice proton density‐weighted (PDW), T2‐weighted (T2W), and T1‐weighted (T1W) inflow/outflow saturation band (IOSB) and rapid extended coverage double inversion‐recovery (REX‐DIR) TSE carotid artery wall imaging was performed on six healthy volunteers at 1.5 T and 3.0 T using time‐, coverage‐, and spatial resolution–matched (0.47 × 0.47 × 3 mm3) imaging protocols. To investigate whether improved signal‐to‐noise ratio (SNR) at 3.0 T could allow for improved spatial resolution, higher spatial resolution imaging (0.31 × 0.31 × 3 mm3) was performed at 3.0 T. Carotid artery wall SNR, carotid lumen SNR, and wall‐lumen contrast‐to‐noise ratio (CNR) were measured.ResultsSignal gain at 3.0 T relative to 1.5 T was observed for carotid artery wall SNR (223%) and wall‐lumen CNR (255%) in all acquisitions (P < 0.025). IOSB and REX‐DIR images were found to have different levels of SNR and CNR (P < 0.05) with IOSB values observed to be larger. Normalized to a common imaging time, the higher spatial resolution imaging at 3.0 T and the lower spatial resolution imaging at 1.5 T provided similar levels of wall‐lumen CNR (P = NS).ConclusionMultislice carotid wall imaging at 3.0 T with IOSB and REX‐DIR benefits from improved SNR and CNR relative to 1.5 T, and allows for higher spatial resolution carotid artery wall imaging. J. Magn. Reson. Imaging 2006. © 2006 Wiley‐Liss, Inc.
Proteinaceous inhibitors of carbohydrate‐active enzymes in cereals: implication in agriculture, cereal processing and nutrition
Authors: Juge Nathalie , Svensson Birte 
Published: March 2006

AbstractEnzymes that degrade, modify, or create glycosidic bonds are involved in carbohydrate biosynthesis and remodelling. Microbial carbohydrate‐active enzymes form the basis of current green technology in the food, feed, starch, paper and pulp industries and the revolution in genomics may offer long‐term gains on the quality and quantity of the raw materials. Proteinaceous inhibitors of carbohydrate‐active enzymes (α‐amylase, limit‐dextrinase, polygalacturonase, pectin lyase, pectin methylesterase, invertase and xyloglucan endoglucanase) naturally occur in plants where they are involved in various roles from plant defence to metabolism. Xylanase inhibitors represent the latest addition to this growing family. In this review, we will focus on the inhibitors of carbohydrate‐active enzymes present in cereals, mostly represented by α‐amylase and xylanase inhibitors, and summarise the existing knowledge on their structure, function, and implication in cereal processing, agriculture and nutrition. Copyright © 2006 Society of Chemical Industry