bluuebunny/crossref_metadata_2025_split huggingface dataset:
Titanium dioxide thin films deposited by the sol‐gel technique starting from titanium oxy‐acetyl acetonate: gas sensing and photocatalyst applications
Authors: Maldonado A. , Mayen‐Hernández S. A. , Tirado‐Guerra S. , de la L. Olvera M. 
Published: June 2010

AbstractTitanium dioxide (TiO2) thin films were deposited onto sodocalcic glass plates by the sol‐gel technique, starting from a non‐alkoxide route, namely, titanium oxy‐acetyl acetonate as Ti precursor. Film thickness effect on both the gas sensing and photocatalytic degradation performance was studied. The as‐deposited films were annealed in air at 400 °C. All the X‐ray spectra of the films show a very broad‐peak centered in a 2θ angle around 30°. In the case of the thinnest films the surface morphology is uniform and very smooth, whereas for the thickest films the corresponding surface is covered by grains with a rod‐like shape with a length on the order of 140 nm. The films were tested both for two straightforward applications: ultraviolet assisted‐degradation of methylene blue dissolved in water, at different times, as well as gas sensor in a controlled propane (C3H8) atmosphere. As the film thickness increases, the degradation of methylene blue (MB) also increases. The thickest TiO2 thin films after being exposed by 5 hours to the catalytic degradation, promoted by ultraviolet illumination, showed a final MB solution degradation in the order of 48%. This reult can be associated with the increase in the effective exposed area of the TiO2 thin films. On the other hand, the exposition of the films to a controlled propane atmosphere produced a significant change in the surface electrical resistance of the films at operating temperatures of 200 °C and above. In fact, in the case of the thickest TiO2 films, a dramatic electrical resistance change of non‐exposed and propane exposed – 560 to 0.7 MΩ –, was registered. The results show that TiO2 films deposited by an economical deposition technique, as is the case of the sol‐gel technique, could have an important potential in industrial applications. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Fabrication of free‐standing ultrathin films of porous metal‐organic frameworks by liquid‐phase epitaxy and subsequent delamination
Authors: Darbandi Masih , Arslan Hasan K. , Shekhah Osama , Bashir Asif , Birkner Alexander , Wöll Christof 
Published: June 2010

AbstractIn this work we describe an approach to fabricate MOF (metal‐organic framework) platelets with predefined shapes and well‐defined thicknesses. The process is based on growing thin, highly oriented and ordered MOF films by selective liquid‐phase epitaxy on prestructured organic substrates. In a second step, the MOF platelets are delaminated employing a lift‐off process. The freestanding MOF platelets were characterized with TEM and SEM, which showed no evidence of fracture or deformation of the delaminated shapes. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Electronic quantum motions in hydrogen molecule ion
Authors: Yang Ciann‐Dong , Weng Hung‐Jen 
Published: June 2010

AbstractThe hydrogen molecule ion is a two‐center force system expressed under the prolate spheroidal coordinates, whose quantum motions and quantum trajectories have never been addressed in the literature before. The momentum operators in this coordinate system are derived for the first time from the Hamilton equations of motion and used to construct the Hamiltonian operator. The resulting Hamiltonian comprises a kinetic energy T and a total potential VTotal consisting of the Coulomb potential and a quantum potential. It is shown that the participation of the quantum potential and the accompanied quantum forces in the force interaction within H2+ is essential to develop an electronic motion consistent with the prediction of the probability density function |Ψ|2. The motion of the electron in H2+ can be either described by the Hamilton equations derived from the Hamiltonian H = TK + VTotal or by the Lagrange equations derived from the Lagrangian H = TK − VTotal. Solving the equations of motion with different initial positions, we show that the solutions yield an assembly of electronic quantum trajectories whose distribution and concentration reconstruct the σ and π molecular orbitals in H2+. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Conformational study of two diasteroisomers of vinylcatechin dimers in a methanol solution
Authors: Brás Natércia F. , Cruz Luís , Fernandes Pedro A. , De Freitas Victor , Ramos Maria João 
Published: June 2010

AbstractRed wine possess anthocyanins (red colored pigments) and flavan‐3‐ol compounds (associated to the flavor). In an acidic environment, these compounds have higher reactivity due to the acidic character of the phenolic groups. Vinylcatechin adducts play a crucial role as intermediates in the formation mechanism of some anthocyanin‐derived pigments (e.g., pyranoanthocyanins) during wine aging. They have gained increasing attention because of the large number of compounds detected in wines and their unusual spectroscopic properties. However, vinylcatechins are very unstable molecules in acidic solutions and their occurrence in wines has never been detected, probably due to their high reactivity. Using computational methods, we have characterized and identified the different conformations of two stable diasteroisomers (9S,11R)‐ and (9R,11S)‐vinylcatechin dimers, which were obtained in model wine solutions from acid‐catalyzed dimerization of vinylcatechin. To identify the different conformations for both isomers, first potential energy surface calculation around the most relevant dihedral angles of each isomer were performed using the density functional theory (DFT) approach with the B3LYP hybrid density functional. Molecular Dynamics (MD) simulations starting from the previous minima were subsequently performed to investigate the possible conformations acquired by the two different compounds in a methanol solution. Six and five different conformations were obtained during the MD simulations for (9S,11R) and (9R,11S) isomers, respectively. Ten nanoseconds of MD simulations were enough to obtain the most favored conformations of these molecules. DFT calculations were used for the optimizations of all structures in vacuum as well as in a methanol environment. Gibbs free energy values were calculated for all structures, and these values show that similar quantities of both (9S,11R) and (9R,11S) diasteroisomers are obtained in a methanol solution, and that their formation is thermodynamically favored. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
CHARMM force field parameterization of rosiglitazone
Authors: Hansson Anders , Souza Paulo C. T. , Silveira Rodrigo L. , Martínez Leandro , Skaf Munir S. 
Published: June 2010

AbstractWe develop a CHARMM‐based interaction potential for rosiglitazone, a well‐known selective ligand to the γ isoform of the peroxisome proliferator‐activated receptor (PPARγ) and widely marketed antidiabetic drug of the thiazolidinedione (TZD) class. We derive partial atomic charges and dihedral torsion potentials for seven rotations in the molecule, for which there are no analogs available in CHARMM. The potential model is validated by performing a series of molecular dynamics simulations of rosiglitazone in neat water and of a fully solvated rosiglitazone‐PPARγ complex. The structural and dynamical behavior of the complex is analyzed in comparison with available experimental data. The potential parameters derived here are readily transferable to a variety of pharmaceutically important TZD compounds. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Prognostic Impact of Underlying Liver Fibrosis and Cirrhosis After Curative Resection of Hepatocellular Carcinoma
Authors: Gassmann Peter , Spieker Tilmann , Haier Joerg , Schmidt Fabian , Mardin Wolf Arif , Senninger Norbert 
Published: June 2010

AbstractBackgroundIn the case of hepatocellular carcinoma (HCC), underlying liver pathology may not only determine the feasibility of surgery but may also affect the postsurgical outcome. We report our experience after curative liver resection for HCC in patients with normal liver, liver fibrosis, and liver cirrhosis.MethodsA total of 72 patients after liver resection with curative intention were analyzed. Histopathologic findings of tumor‐unaffected liver tissue were used for retrospective classification: group A (normal liver); group B (liver fibrosis); group C (liver cirrhosis). The groups were compared for differences in short‐term surgical results, total survival, and recurrence‐free survival.ResultsThe rate of major complications was 34.7% and did not significantly differ among groups. The overall perioperative mortality rate was 9.7%, with one patient dying in group A and three patients dying in each of the other two groups. Including perioperative mortality, the median overall survival for the whole group was 37.3 months (95% confidence interval 29.3–45.2 months). The respective 1‐, 2‐, and 5‐year survival rates for group A (n = 21) were 86%, 71%, and 50% and for group C (n = 24) 62%, 50%, and 17%. The overall survival of group B (n = 27) was intermediate (log‐rank, P = 0.032). The respective recurrence‐free survival rates were 76%, 42%, and 20% for group A and 39%, 13%, and 4% for group C, with group B being intermediate (log‐rank, P = 0.016).ConclusionsOur data demonstrate that liver resection in the presence of compensated liver cirrhosis is feasible but associated with a significantly impaired prognosis for overall and recurrence‐free survival. The management of cirrhotic patients with compensated liver function and HCC therefore also requires the opportunity for transplantation.
Geographical distribution pattern and interisland movements of Orii's flying fox in Okinawa Islands, the Ryukyu Archipelago, Japan
Authors: Nakamoto Atsushi , Itabe Shinichi , Sato Akiko , Kinjo Kazumitsu , Izawa Masako 
Published: June 2010

AbstractThe study of mobile animals such as flying foxes in insular habitats involves clarifying the population status on each island and determining the factors affecting movement patterns among the islands in their distributional range. We visited 25 of the Okinawa Islands and documented the number of Orii's flying foxes Pteropus dasymallus inopinatus from August 2005 to May 2006. We also conducted a monthly road census on the main island (Okinawa‐jima Island) and six adjacent islands from June 2006 to January 2007 and counted the number of fruit‐bearing trees of the bats’ four main food plants. The results of classification and regression tree analysis suggested that distance from the main island was a primary factor in determining the distribution pattern and population size of this flying fox, whereas island area, number of plant species, and food availability did not directly affect population size. The number of flying foxes on each island tended to decrease with an increase in distance from the main island; no flying foxes existed on islands >30 km away from the main island. On the other hand, the results of the monthly census showed that the population size on each island fluctuated seasonally. Individuals may move between islands in response to seasonal changes in food availability. In conclusion, the distribution and abundance of Orii's flying foxes in the Okinawa Islands may be determined by the rate of immigration/emigration, depending on each island's distance from the main island. Seasonal changes in food availability may act as a trigger for interisland movement, but that movement may be restricted by island connectivity.
Klinik und Genetik des familiären Darmkrebses
Authors: Steinke V. , Vogt S. , Aretz S. 
Published: June 2010

Zusammenfassung
Eine familiäre Häufung von Dickdarmkrebs (CRC) und ein früher Erkrankungsbeginn sind Hinweise auf erbliche Tumorsyndrome, die für etwa 3–5% aller CRC verantwortlich sind. Bei diesen monogenen Dispositionen wird der erbliche Dickdarmkrebs ohne Polyposis (HNPCC/Lynch-Syndrom) von der Gruppe der gastrointestinalen Polyposis-Syndrome unterschieden. Bei vielen hereditären Formen besteht ein z. T. charakteristisches Spektrum extrakolonischer Tumoren. Die frühe Erkennung und korrekte Einordnung ist wichtig, da effektive Methoden der Vorsorge und Therapie für Betroffene und Risikopersonen bestehen.
Die Initialdiagnostik umfasst das endoskopische Bild und den histologischen Befund, ergänzt um extraintestinale Manifestationen und die Familienanamnese. Die molekulargenetische Abklärung erfolgt nach weitgehend etablierten und standardisierten Algorithmen. Differenzialdiagnostische Probleme bereiten insbesondere Patienten mit wenigen kolorektalen Adenomen sowie phänotypische Überlappungen bei hamartomatösen Polyposis-Syndromen. Für HNPCC und häufige Polyposis-Syndrome existieren etablierte risikoadaptierte Früherkennungsprogramme.
Der außerhalb der etablierten Tumorsyndrome beobachteten familiären Häufung des – oft spätmanifesten – CRC und dem Auftreten weniger Adenome liegt vermutlich eine multifaktorielle Ätiologie zugrunde. Die Aufklärung der genetischen Faktoren und das Verständnis der beteiligten Signalwege steht hier noch am Anfang, macht aber durch die rasanten methodischen Entwicklungen (z. B. genomweite Assoziationsstudien, CNV-Analysen) rasche Fortschritte.
The Quest for Renal Disease Proteomic Signatures: Where Should We Look?
Authors: Konvalinka Ana , Scholey James W. , Diamandis Eleftherios P. 
Published: June 2010

Abstract
Renal diseases are prevalent and important. However, despite significant strides in medicine, clinical nephrology still relies on nonspecific and inadequate markers such as serum creatinine and total urine protein for monitoring and diagnosis of renal disease. In case of glomerular renal diseases, biopsy is often necessary to establish the diagnosis. With new developments in proteomics technology, numerous studies have emerged, searching for better markers of kidney disease diagnosis and/or prognosis. Blood, urine, and renal biopsy tissue have been explored as potential sources of biomarkers. Some interesting individual or multiparametric biomarkers have been found; however, none have yet been validated or entered clinical practice. This review focuses on some studies of biomarkers of glomerular renal diseases, as well as addresses the question of which sample type(s) might be most promising in preliminary discovery phases of candidate proteins.
Radiology and primary care in Europe
Authors:   The Executive Council of the European Society of Radiology (ESR) and the Council of the World Organization of National Colleges, Academies and Academic Associations of General Practitioners/Family Physicians/ European regional branch (WONCA Europe)
Published: June 2010

Abstract
This joint paper outlines the current status and future outlook of the cooperation between radiology specialists and general practitioners. It discusses issues of referrals in primary care, imaging requirements, quality of care, types of radiology services and finances, all seen by both sides—radiologists and primary care physicians.
The level of expressed emotion scale: A useful measure of expressed emotion in adolescents?
Authors: Nelis Sharon M. , Rae Gordon , Liddell Christine 
Published: June 2010

ABSTRACTResearch has suggested that self‐report measures of expressed emotion (EE) may be employed as a proxy measure of environmental stress in the home. The appropriateness of the Level of Expressed Emotion scale as a measure of perceived expressed emotion was examined in a sample of adolescents. Participants were 239 male and 422 female adolescents with a mean age of 15.9 years (SD = 1.26). Principal component analysis and confirmatory factor analysis suggested a shortened thirty three item scale with three subscales, interpreted as Lack of Emotional Support, Irritability and Intrusiveness. The Intrusiveness and Irritability subscales were positively correlated with adolescents’ self reports of psychological symptoms. Researchers seeking adolescents’ reports of the family environment should consider the use of this shortened LEE scale.
Ethnic composition of school classes, majority–minority friendships, and adolescents’ intergroup attitudes in the Netherlands
Authors: Vervoort Miranda H.M. , Scholte Ron H.J. , Scheepers Peer L.H. 
Published: June 2010

ABSTRACTThe relationships between the proportion of ethnic minority adolescents in school classes, the proportion and quality of majority–minority friendships and intergroup attitudes were examined using multi‐level analysis (N = 2386 adolescents in 117 school classes in the Netherlands). In school classes with high proportions of ethnic minority adolescents, both ethnic majority and ethnic minority adolescents reported more negative out‐group attitudes. Moreover, in these school classes, ethnic majority adolescents showed more positive in‐group attitudes, whereas ethnic minority adolescents showed less positive in‐group attitudes. The proportion of majority–minority friendships was related to less negative out‐group attitudes for ethnic majority adolescents only. The quality of majority–minority friendships was related to less negative out‐group and in‐group attitudes for both the ethnic majority and ethnic minority adolescents. The results are discussed in the light of contact theory and ethnic competition theory.
Telepsychiatry and carer education for schizophrenia
Authors: Haley C. , O’Callaghan E. , Hill S. , Mannion N. , Donnelly B. , Kinsella A. , Murtagh A. , Turner N. 
Published: June 2010

AbstractObjectiveDespite the scientific evidence, most families of people with schizophrenia in Europe never receive a carer education programme. We evaluated whether a carer education course delivered by telepsychiatry was as effective as a carer education course delivered in situ.MethodWe delivered the carer education course for schizophrenia simultaneously to a carers group in rural north west Ireland (remote) via three ISDN lines and live to a carers group in a city (host). We compared knowledge gains using the Knowledge Questionnaire before and after each course.ResultsFifty-six carers of people with schizophrenia participated in the trial. At baseline, participants at the remote and host centers did not differ in terms of knowledge about schizophrenia. After the course, carers at both centers improved significantly and the knowledge gains between groups were equivalent at 6 weeks.ConclusionTelepsychiatry can deliver effective carer education programmes about schizophrenia and may provide one solution to bridging the chasm between scientific evidence and clinical reality.
Treatment of atypical depression: Post-hoc analysis of a randomized controlled study testing the efficacy of sertraline and cognitive behavioural therapy in mildly depressed outpatients
Authors: Henkel V. , Mergl R. , Allgaier A.-K. , Hautzinger M. , Kohnen R. , Coyne J.C. , Möller H.-J. , Hegerl U. 
Published: June 2010

AbstractObjectiveAtypical features are common among depressed primary care patients, but clinical trials testing the efficacy of psychopharmacological and/or psychotherapeutic treatment are lacking. This paper examines the efficacy of sertraline and cognitive behavioural therapy (CBT) among depressed patients with atypical features.Subjects and methodsAnalyses involve a double-blind comparison of sertraline versus placebo (N= 47) and a single-blind comparison between CBT versus a guided self-help group (GSG) (N= 48), with primary efficacy endpoints being the Inventory of Depressive Symptomatology (IDSC) and Hamilton Depression Scale (HAMD-17).ResultsIn intent-to-treat (ITT) analyses, the decrease on the IDSCscale (and HAMD-17) was greater after CBT compared to GSG:p= 0.01 (HAMD-17:p= 0.01). The difference between selective serotonin reuptake inhibitors (SSRI) versus placebo was not significant:p= 0.22 (HAMD-17:p= 0.36).LimitationsThe number of cases in each treatment group was small, thereby limiting statistical power. Patients medicated with sertraline were 10 to 15 years younger than those included in the other groups of treatment.ConclusionsCBT may be an effective alternative to GSG for mildly depressed patients with atypical features. Although SSRI were not superior to placebo, it would be premature to rule out SSRI as efficacious in atypical depression.
Contingency theory of capacity planning: The link between process types and planning methods
Authors: Tenhiälä Antti 
Published: June 2010

AbstractAlthough the reliability of production plans is crucial for the performance of manufacturing organizations, most practitioners use considerably simpler planning methods than what is recommended in the operations management literature. This article employs the contingency theory of organizations to explain the gap between the practice and the academic models of production planning. Arguments on the contingency effects of process complexity lead to a hypothesis that expects simple capacity planning methods to be most effective in certain production processes. A strong inference research setting is used to test the contingency hypothesis against a conventional hypothesis that expects the most sophisticated planning techniques to always be most effective. Multisource data from the machinery manufacturing industry support the contingency hypothesis and reject the universalistic hypothesis. The findings are explained using the concepts of task interdependence and bounded rationality. The results have several managerial implications, and they elaborate how classic concepts in organization theory can bring practically relevant insights to operations management research.
A historical examination of optimal real return portfolios for non‐US investors
Authors: Bruno Salvatore , Chincarini Ludwig 
Published: June 2010

AbstractThe objective of this paper is to explore and identify inflation as it is embedded in a broad range of asset classes beyond simply TIPS, oil, gold and real estate. The analysis is conducted primarily from the perspective of investors in a range of countries that span the developed and emerging world including resource intense economies and those that have previously experienced hyperinflation. We find that an investor who is looking for a reasonable positive real return of 4.5% while minimizing the downside risk with respect to inflation will have an allocation that consists primarily of short‐term bonds, longer‐term bonds, some gold, some oil, and some emerging market equities. The weight of gold and oil together is less than 10% of the portfolio and is not always relevant for all countries. We find that achieving stable real returns during hyperinflationary periods is virtually impossible without access to a vast array of short‐term fixed income instruments. Despite this, the out‐of‐sample performance of the real return optimizations is quite promising, providing an emulative inflation protection strategy for international investors of all sorts.
Elementary symplectic orbits and improved K1-stability
Authors: Chattopadhyay Pratyusha , Rao Ravi A. 
Published: June 2010

AbstractIt is shown that the set of orbits of the action of the elementary symplectic group on all unimodular rows over a commutative ring of characteristic not 2 is identical with the set of orbits of the action of the corresponding elementary general linear group. This result is used to improve injective stability for K1 of the symplectic group over non-singular affine algebras.