bluuebunny/crossref_metadata_2025_split huggingface dataset:
The combined use of radio frequency‐electromagnetic surveys and chemical and biological analyses to study the role of groundwater discharge into the Guadiana estuary
Authors: Carvalho Dill A. M. M. , Stigter T. Y. , Brito R. , Chícharo M. A. , Chícharo L. 
Published: November 2012

ABSTRACTThis paper intends to show how the radio frequency‐electromagnetic (RF‐EM) method can be successfully used in coastal wetlands, onshore and in shallow water. It characterizes and reveals geological and hydrogeological singularities that are often hidden by recent sediments and allows target sampling and consequent detection of ecological particularities. RF‐EM methods have traditionally been used to detect the presence of groundwater or the existence of subsurface contamination plumes. The great majority of such studies have been conducted on land and to a lesser extent on freshwater lakes but rarely in coastal waters. Previous research in Portugal has shown that despite the attenuation effect of salt water, very valuable information can be obtained with the use of electromagnetic methods, wherever resistivity contrasts exist. In the current case study, RF‐EM surveys were carried out in the Estuary of the Guadiana River, in order to understand the importance of geological structures on the formation of the wetland and the influence of groundwater discharge on the existing ecosystem. Structures detected on land were also identified in the tidal channels. Freshwater fault springs were localized; their biota is characterized and the nutrients analysed. The results showed a clear increase in nitrate and silica concentration near the submarine springs, with impact on the planktonic communities, which is most evident in chlorophyll a. This is especially relevant during the end of summer and autumn when a potential limitation of these nutrients exists that can increase the occurrence of toxic blooms in the salt marshes and lower estuary. Copyright © 2012 John Wiley & Sons, Ltd.
Visible‐Light Harvesting PtII Complexes as Singlet Oxygen Photosensitizers for Photooxidation of 1,5‐Dihydroxynaphthalene
Authors: Wu Wenting , Yang Pei , Ma Lihua , Lalevée Jacques , Zhao Jianzhang 
Published: November 2012

AbstractCyclometalated PtII complexes that show strong visible‐light absorption and long‐lived triplet excited states were used as efficient singlet oxygen (1O2) sensitizers for the photooxidation of 1,5‐dihydroxynaphthalene (DHN). The photooxidation velocity of the cyclometalated PtII complex is 4.4 times that of the conventional IrIII complex triplet photosensitizers that do not show strong absorption of visible light.
One‐Pot Synthesis of Two Magnetic Coordination Polymers with Different Structures Due to the Connectivity of Sulfate Ions
Authors: Zou Kang‐Yu , Zhao Jun‐Long , Liu Chao , Wang Zhang , Li Zuo‐Xi 
Published: November 2012

AbstractTwo new coordination polymers, {[Co3(bib)3(H2O)9](SO4)3·(H2O)5}∞ (1) and [Co(bib)2SO4]∞ (2), were synthesized through a one‐pot reaction by layering solutions of bib ligand and CoSO4·7H2O in a glass tube. In compound 1, the binuclear unit, bridged by a pair of water molecules, is further linked by bib ligands to form an extended (4,4) layer. In compound 2, the bib ligand bridges CoII centers to form a 2D (4,4) layer, which is further pillared by the SO42– ion to afford a 3D α‐Po framework. In both compounds the bib ligand acts as a bidentate linker to connect the corresponding binuclear cluster or single ion into 2D(4,4) layers. However, the different behaviors of the SO42– ion, in the non‐coordinated and μ2 modes in compounds 1 and 2, respectively, lead to differing dimensional frameworks, vividly revealing the important effect of the counterion on the generation of coordination polymers. Structure analysis reveals bicobalt and 1D [SO4Co]∞ magnetic units, which are thought to be responsible for the weak antiferromagnetism in 1 and 2, respectively. The corresponding exchange coupling constants J between CoII ions have been estimated as –2.45 and –1.63 cm–1 by fitting the experimental data.
Synthesis, Characterization, Reactivity, and Linkage Isomerization of Ru(Cl)2(L)(DMSO)2 Complexes
Authors: Roeser Stephan , Maji Somnath , Benet‐Buchholz Jordi , Pons Josefina , Llobet Antoni 
Published: November 2012

AbstractThe structures, spectroscopic properties, electrochemistry, and reactivity of two new isomeric [Ru(Cl)2(L)(DMSO)2] complexes are reported [L is the nonsymmetric chelating ligand 5‐phenyl‐3‐(2‐pyridyl)‐1H‐pyrazole (H3p), DMSO = dimethyl sulfoxide]. It is shown that there is S‐to‐O linkage isomerization of the ruthenium(II) sulfoxide complexes upon one electron oxidation. The thermodynamic and kinetic properties of this linkage isomerization differ for each isomeric complex and depend strongly on the protonation grade of the ligand backbone. The corresponding data for these processes were evaluated from electrochemical data. A photolytic reaction of either of these isomers in chloroform is presented and leads to the substitution of one DMSO ligand and the formation of a third complex, [Ru(Cl)3(L)(DMSO)]. The remaining coordinated DMSO ligand retains its binding mode through the sulfur atom to a ruthenium(III) metal center.
VO2+ Reaction with Hydrotalcite and Hydrotalcite‐Derived Oxide: The Effect of the Vanadium Loading on the Structure of Catalyst Precursors and on the Vanadium Species
Authors: Rabello de Castro Fernando , Lau Lam Yiu , Hawrylak Herbst Marcelo , Maciel Pereira Marcelo , Crispim da Silva Thiago , Homs Narcis , Ramirez de la Piscina Pilar 
Published: November 2012

AbstractThe interaction of VO2+ species with Mg6Al2(OH)16(CO3)·n(H2O) hydrotalcite (HTC) and the corresponding HTC‐derived mixed oxide (MO, obtained by calcination of HTC at 800 °C) is reported. Vanadium was loaded (2–20 wt.‐%) onto HTC and onto MO using an aqueous solution of VOSO4. After the spontaneous reaction, solids were filtered, treated at 120 °C and then characterised. The characterisation techniques used include spectroscopic, structural, textural and thermal analyses, such as FTIR, Raman, UV/Vis DRS, XRD, BET, EPR, TG/DTA and TPO/TPR. In this work, the nature of the vanadium species on HTC and MO as a function of vanadium loading was studied. The presence of VIII species in the layers of HTC and anionic VV species in the interlayers have been proposed, whereas on MO VIV species are easily oxidised by air producing oligomerised VV supported species.
Effect of In–Sn Ordering on Semiconducting Properties in InSnCo3S2 – X‐ray, 119Sn Mößbauer Spectroscopy, and DFT Studies
Authors: Rothballer Jan , Bachhuber Frederik , Pielnhofer Florian , Schappacher Falko M. , Pöttgen Rainer , Weihrich Richard 
Published: November 2012

AbstractThe crystallographic and electronic structure of shandite‐type InSnCo3S2 was reinvestigated. Single‐crystal and powder X‐ray diffraction, 119Sn Mößbauer spectroscopy, and DFT studies focused on the relation between the In–Sn ordering and a recently predicted semiconductor‐to‐metal transition. One aim of the combined experimental and theoretical approach was to show how the occupation of Sn and In sites causes structural distortions. The second aim was to point out effects on the electronic structure and the relative stability of structural variants with respect to In–Sn ordering. The interpretation of both X‐ray diffraction and Mößbauer spectroscopy data by DFT calculations helped to understand the effects from a nonlocal and a local point of view. This is a starting point of materials design for various applications.
Synthesis, Structure, Magnetism, and Single Molecular Conductance of Linear Trinickel String Complexes with Sulfur‐Containing Ligands
Authors: Yang Ching‐Chun , Liu Isiah Po‐Chun , Hsu Yu‐Ju , Lee Gene‐Hsiang , Chen Chun‐hsien , Peng Shie‐Ming 
Published: November 2012

AbstractThe synthesis, crystal structures, magnetic properties, and single molecular conductances of two linear trinickel string complexes, [Ni3(mpta)4(NCS)2] (2) and [Ni3(mpta)4(CN)2] (3), supported by sulfur‐containing Hmpta (1) ligands are presented (Hmpta = 4‐methylpyridylthiazolylamine). Compounds 2 and 3 possess a 1D trinickel backbone coordinated by four mpta– ligands. Within the trinickel framework, the two terminal high‐spin (S = 1) Ni ions are strongly antiferromagnetically coupled (J = –91 cm–1 in 2 and –79 cm–1 in 3). As the axial CN– ligand is very basic and strongly pulls the terminal Ni ions away from the central Ni ion, the Ni–Ni distances in 3 (ca. 2.52 Å) are longer than those in 2 (ca. 2.47 Å). The lengthening of the Ni–Ni bond lengths causes 3 to exhibit weaker antiferromagnetic interactions and lower single molecular conductance [R = 7.1 (±1.5) MΩ for 2 and R = 11.1 (±3.9) MΩ for 3].
Equilibrium, Kinetic and Structural Studies of AAZTA Complexes with Ga3+, In3+ and Cu2+
Authors: Baranyai Zsolt , Uggeri Fulvio , Maiocchi Alessandro , Giovenzana Giovanni B. , Cavallotti Camilla , Takács Anett , Tóth Imre , Bányai István , Bényei Attila , Brucher Ernő , Aime Silvio 
Published: November 2012

AbstractA detailed study of the structures, thermodynamic stabilities and kinetics of the dissociation of Ga3+, In3+ and Cu2+ complexes formed with the heptadentate ligand AAZTA is reported. The stability constants (log KML) of the AAZTA complexes of Ga3+, In3+ and Cu2+ are 22.18, 29.58 and 22.27, respectively, which suggests that the seven‐membered‐ring skeleton is suited to the accommodation of these metal ions. The solid‐state structure of [Cu(H2AAZTA)]·H2O shows a distorted octahedral coordination. The equatorial coordination sites of Cu2+ are occupied by one of the ring N atoms, a water O atom, one of the carboxylate O atoms and the N atom of the iminodiacetate moiety. The other ring N atom and the carboxylate O atom of the iminodiacetate moiety coordinate to the Cu2+ in the axial positions. In the pH range 4.5–8.5, Ga3+ is present in the form of the highly stable [Ga(AAZTA)OH]2– (log βGaLH–1 = 17.69) The exchange reactions of [Ga(AAZTA)OH]2– with Cu2+ and transferrin are very slow and mainly occur through the spontaneous dissociation of the complex close to physiological conditions. The half‐life for the dissociation of [Ga(AAZTA)OH]2– is t1/2 = 23 h at pH = 7.5 and 25 °C in 0.025 M NaHCO3 and 0.15 M NaCl. The high conditional stability, fast formation and sufficiently slow dissociation of [Ga(AAZTA)OH]2– represent promising properties for the complexation and diagnostic applications of radioactive Ga isotopes.
Total Synthesis of Taspine and a Symmetrical Analogue: Study of Binding to G‐Quadruplex DNA by ESI‐MS
Authors: Altieri Alessandro , Franceschin Marco , Nocioni Daniele , Alvino Antonello , Casagrande Valentina , Scarpati Maria Luisa , Bianco Armandodoriano 
Published: November 2012

AbstractTaspine is an alkaloid found in the latex of certain trees belonging to the family of Euphorbiaceae, commonly called “Sangre de Drago” (Dragon's blood). Its structure and antineoplastic properties are well known. Here we report the total synthesis of taspine, starting from ferulic acid and isovanillin. The successful synthetic strategy was then applied to the synthesis of a symmetrical analogue TAS2C. Both the synthesised compounds were tested by ESI‐MS (electrospray ionisation mass spectrometry) for their ability to bind different quadruplex and duplex DNA structures.
The High Selectivity of the Cp2ZrHCl Reducing Agent for Imides: A Combined Experimental and Theoretical Study on γ‐Lactam and Isoxazolidinone Derivatives
Authors: Lanza Giuseppe , Chiacchio Maria A. , Giofrè Salvatore V. , Romeo Roberto , Merino Pedro 
Published: November 2012

AbstractSelective reductions of semicyclic imides either to hemiaminals (endo carbonyl reduction) or to aldehydes and amines (exo carbonyl reduction) in high yields by Schwartz's reagent (Cp2ZrHCl) are reported. Mechanistic aspects of these reactions have been investigated at the DFT ab initio level with consideration of implicit solvent effects and thermal and pressure corrections to 298 K/1 atm. The reactions proceed from the reagents to very stable final Zr‐oxo intermediates through the formation of σ complexes and subsequent four‐center transition state structures (1,2‐migratory insertion). The energetic barriers for the insertion steps depend strongly on the natures of the ancillary groups at the reducing carbonyl groups. N‐Carbamoyl groups are reduced to hemiaminals whereas N‐acyl groups react at the exo carbonyl groups. The absence of the second carbonyl group in the simple N‐methyl‐2‐pyrrolidone (less oxidized system) strongly reduces the thermodynamic drive for the formation of the metallocene oxo intermediate and allows an explanation of the remarkable chemoselectivity of the hydrozirconation. The zirconocene‐oxo intermediates hydrolyze quickly throughout an ionic mechanism in which water molecules strongly assist the process by stabilizing ion pair separation. The computational results are consistent with a large set of experimental data on reduction of γ‐lactam and isoxazolidinone derivatives under mild conditions. They provide a way to explain and predict the relative importance of the two competitive endo/exo reduction channels of semicyclic imides by considering the electronic and steric features of substituents.
Renewable Silver‐Amalgam Film Electrode for Rapid Square‐Wave Voltammetric Determination of Thiamethoxam Insecticide in Selected Samples
Authors: Putek Maria , Guzsvány Valéria , Tasić Bojan , Zarębski Jerzy , Bobrowski Andrzej 
Published: November 2012

AbstractThe paper presents the use of a renewable silver‐amalgam film electrode (Hg(Ag)FE) for the determination of the insecticide thiamethoxam (TMO) in Britton‐Robinson buffer pH 7.0 (LOD=0.25 µg mL−1, LOQ=0.70 µg mL−1) by direct cathodic square‐wave voltammetry (SWV). The voltammetric response for TMO obtained at this electrode was the same as that obtained with a hanging mercury drop electrode, represented by two distinct reduction peaks. Since the electron transfer processes are coupled with chemical reactions involving protons, the SWV signals strongly depend on the pH of the supporting electrolyte. The developed Hg(Ag)FE‐SWV method was tested for the determination of TMO in spiked honey and river water samples, as well as for the determination of its content in the commercial formulation Actara 25 WG.
Ground motion scaling methods for linear‐elastic structures: an integrated experimental and analytical investigation
Authors: O'Donnell A. P. , Kurama Y. C. , Kalkan E. , Taflanidis A. A. , Beltsar O. A. 
Published: November 2012

SUMMARYThe task of selecting and scaling an appropriate set of ground motion records is one of the most important challenges facing practitioners in conducting dynamic response history analyses for seismic design and risk assessment. This paper describes an integrated experimental and analytical evaluation of selected ground motion scaling methods for linear‐elastic building frame structures. The experimental study is based on the shake table testing of small‐scale frame models with four different fundamental periods under ground motion sets that have been scaled using different methods. The test results are then analytically extended to a wider range of structural properties to assess the effectiveness of the scaling methods in reducing the dispersion and increasing the accuracy in the seismic displacement demands of linear‐elastic structures, also considering biased selection of ground motion subsets. For scaling methods that are based on a design estimate of the fundamental period of the structure, effects of possible errors in the estimated period are investigated. The results show that a significant reduction in the effectiveness of these scaling methods can occur if the fundamental period is not estimated with reasonable certainty. Copyright © 2012 John Wiley & Sons, Ltd.
Eating‐related Environmental Factors in Underweight Eating Disorders and Obesity: Are There Common Vulnerabilities During Childhood and Early Adolescence?
Authors: Krug I. , Villarejo C. , Jiménez‐Murcia S. , Perpiñá C. , Vilarrasa N. , Granero R. , Cebolla A. , Botella C. , Montserrat‐Gil de Bernabe M. , Penelo E. , Casella S. , Islam M. A. , Orekhova E. , Casanueva F. F. , Karwautz A. , Menchón J. M. , Treasure J. , Fernández‐Aranda F. 
Published: November 2012

AbstractObjectiveThis study aimed to examine whether there is an association between individual, social and family influences and dysfunctional eating patterns early in life and the likelihood of developing a subsequent underweight eating disorder (ED) or obesity.MethodThe total sample comprised 152 individuals (underweight ED, n = 45; obese patients, n = 65; healthy controls; n = 42) from Barcelona, Spain. The Cross‐Cultural Questionnaire (CCQ) was used to assess early eating influences as well as individual and family eating patterns and attitudes towards food.ResultsEven though a few shared eating influences emerged for both groups, unique factors were also observed. Whereas relationship with friends, teasing about eating habits by family members and the mass media were of specific relevance to the underweight ED group, the patient's own physical appearance, body dissatisfaction, teasing about eating habits by friends, teasing about body shape by family members and dysfunctional eating patterns were unique to obesity.ConclusionsOverlapping environmental risk factors provide evidence for integral prevention and intervention approaches that simultaneously tackle a range of weight‐related problems. The unique factors might be important for targeting high‐risk individuals. Copyright © 2012 John Wiley & Sons, Ltd and Eating Disorders Association.
Central Coherence in Full Recovery of Anorexia Nervosa
Authors: Lindner Susanne E. , Fichter Manfred M. , Quadflieg Norbert 
Published: November 2012

AbstractObjectiveThis study examined central coherence as a possible endophenotype in a large sample of women recovered from anorexia nervosa (rec AN). Recovery was defined by considering physiological, behavioural and psychological variables.MethodA total of 100 rec AN women and 100 healthy women completed the Rey Complex Figure Test, a measure for visual–spatial central coherence. The participants were matched 1:1 for age and educational level.ResultsCompared with the healthy control group, the rec AN group showed better accuracy in the copy condition. There was a trend for a local strategy in the rec AN group compared with a global strategy in the healthy control group.ConclusionsThis sample of rec AN women showed no inefficiencies in global processing but a superior local processing after full recovery from AN. Copyright © 2012 John Wiley & Sons, Ltd and Eating Disorders Association.
The level of consumer information about health insurance in Nanjing, China
Authors: Xu Weiwei , Van de Ven Wynand P. M. M. 
Published: November 2012

ABSTRACTThe Chinese government is considering a (regulated) competitive healthcare system. Sufficient consumer information is a crucial pre‐condition to benefit from such a change. We conducted a survey on the level of consumer information regarding health insurance among the insured population in Nanjing, China in 2009. The results from descriptive analysis and binary logistic regression demonstrate that the current level of consumer information about health insurance is low. The level of consumer information is positively correlated with the subscribers' motivation to obtain the information and its availability. The level of searching for health insurance information is also low; moreover, even upon searching, the chance of finding relevant information is less than 25%. We conclude that the level of consumer information is currently insufficient in China. If the Chinese government is determined to adopt market mechanisms in the healthcare sector, it should take the lead in making valid and reliable information publicly available and easily accessible. Copyright © 2012 John Wiley & Sons, Ltd.
Longitudinal patterns of analgesic and central acting drug use and associated effectiveness in fibromyalgia
Authors: Wolfe F. , Walitt B.T. , Katz R.S. , Lee Y.C. , Michaud K.D. , Häuser W. 
Published: November 2012

AbstractBackgroundWe describe the changing pattern of analgesic and new central acting drug (NCAD) use (pregabalin, duloxetine, milnacipran) in fibromyalgia and measure NCAD effectiveness in clinical practice.MethodsAbout 3123 US adult patients with fibromyalgia participated in an 11‐year longitudinal study of fibromyalgia outcomes. We assessed severity‐adjusted treatment prevalence and measured the effect of any use of NCAD on pain and fatigue, and functional status using the Health Assessment Questionnaire (HAQ) disability index.ResultsIn 2010, 46.7% of patients used opioids, including 12.5% who used strong opioids. During the 11 years, severity‐adjusted strong opioid use increased from 6.3% to 11.7% and any opioid use from 40.0% to 46.6%. Nonsteroidal anti‐inflammatory drug (NSAID) use decreased from 74% to 44%. Tricyclic use dropped in half, from 27% to 15%, while NCAD use increased from less than 10% to 39%. The estimated 25th and 50th percentiles for NCAD discontinuation time were 1 and 2.5 years. Overall pain, fatigue and HAQ scores were unchanged over the 11 years. For patients treated with NCAD, pain scores were reduced significantly by 0.17 (0.03, 0.30) units following the start of NCAD, an improvement of 2.8%. Some sensitivity analyses showed improvements of up to 4.3%. There was no significant improvement in fatigue or functional status.ConclusionsThere is a changing pattern of drug treatment in fibromyalgia, consisting mostly of decreased NSAID and amitriptyline use and an increase in NCAD. Drug costs are substantially higher because of NCAD use, but we found no evidence of clinical benefit for NCAD compared with prior therapy.
The relationship between acceptance, catastrophizing and illness representations in chronic pain
Authors: Gillanders D.T. , Ferreira N.B. , Bose S. , Esrich T. 
Published: November 2012

AbstractBackgroundCognitive‐ and acceptance‐based approaches are used to help people live with chronic pain. Little is known about how these constructs relate to each other. In this study, we examined how cognitive representations of chronic pain relate to interpersonal styles such as catastrophizing and the behavioural process of acceptance of chronic pain. This study further examined how these processes relate to emotional and physical functioning in chronic pain.MethodsA cross‐sectional design, employing validated questionnaires, was used to measure pain, emotional and physical dysfunction, illness representations, catastrophizing and acceptance in a heterogeneous sample of 150 chronic pain sufferers.ResultsThe psychological variables significantly mediated the impact of pain severity on both emotional and physical dysfunction. In addition, a distinct pattern of mediation was observed. The relationship between pain and emotional dysfunction was mediated by representations of pain as a highly emotive experience and by catastrophizing; acceptance did not mediate this relationship. By contrast, the relationship between pain and physical dysfunction was mediated by acceptance and representations of high consequences of chronic pain, but not by catastrophizing.ConclusionsPain severity itself is a relatively poor predictor of emotional and physical dysfunction in chronic pain states. These relationships are significantly mediated by psychological variables. Different approaches to chronic pain rehabilitation emphasize different targets (changing illness representations and reducing catastrophizing vs. acceptance and behavioural activation). This cross‐sectional study suggests that these processes may differentially influence outcomes, but that they are complex and overlapping. Theoretical and clinical implications are discussed.