bluuebunny/crossref_metadata_2025_split huggingface dataset:
Calculating investment incentives in the European electricity market
Authors: Paulun Tobias 
Published: December 2008

AbstractThe situation for utilities in the European electricity market has changed significantly over the last years due to liberalization of the market. It is the aim of current Energy politics of the European Commission to establish a truly competitive internal market for electricity throughout the whole European Union. For this, new market rules are defined and boundary conditions for investments in electricity generating and transmission capacities are changed. In order to evaluate the impact of boundary conditions on the development of the market, market models are becoming more and more important. However, most of the existing models neglect technical restrictions of electricity generation and transmission or coherences between those areas that may affect the development of the market in reality. In this contribution, a general framework of a newly developed market model is presented. This model incorporates technical restrictions of electricity generation and transmission and provides a basis for simulating the future development of the electricity market. This article presents first results regarding incentives of electricity generating companies for investments in additional generation capacities. Copyright © 2008 John Wiley & Sons, Ltd.
A lattice Boltzmann method for solute transport
Authors: Zhou Jian Guo 
Published: December 2008

AbstractA lattice Boltzmann method is developed for solute transport. Proper expressions for the local equilibrium distribution functions enable the method to be formulated on rectangular lattice with the same simple procedure as that on a square lattice. This provides an additional advantage over a lattice Boltzmann method on a square lattice for problems characterized by dominant phenomenon in one direction and relatively weak in another such as solute transport in shear flow over a narrow channel, where the problems can efficiently be approached with fine and coarse meshes, respectively, resulting in more efficient algorithm. The stability conditions are also described. The proposed method on a square lattice is naturally recovered when a square lattice is used. It is verified by solving four tests and compared with the analytical/exact solutions. They are in good agreement, demonstrating that the method is simple, accurate and robust for solute transport. Copyright © 2008 John Wiley & Sons, Ltd.
Evaluation of a home‐based exercise program in the treatment of Alzheimer's disease: The Maximizing Independence in Dementia (MIND) study
Authors: Steinberg Martin , Leoutsakos Jeannie‐Marie Sheppard , Podewils Laura Jean , Lyketsos C. G. 
Published: December 2008

AbstractObjectiveTo determine the feasibility and efficacy of a home‐based exercise intervention program to improve the functional performance of patients with Alzheimer's Disease (AD).MethodsTwenty‐seven home‐dwelling patients with AD were randomized to either an exercise intervention program delivered by their caregivers or a home safety assessment control. Measures of functional performance (primary), cognition, neuropsychiatric symptoms, quality of life and caregiver burden (secondary) were obtained at baseline and at 6 and 12 weeks following randomization. For each outcome measure, intent‐to‐treat analyses using linear random effects models were performed. Feasibility and adverse events were also assessed.ResultsAdherence to the exercise program was good. On the primary outcomes (functional performance) patients in the exercise group demonstrated a trend for improved performance on measures of hand function and lower extremity strength. On secondary outcome measures, trends toward worse depression and lower quality of life ratings were noted.ConclusionsThe physical exercise intervention developed for the study, delivered by caregivers to home‐dwelling patients with AD, was feasible and was associated with a trend for improved functional performance in this group of frail patients. Given the limited efficacy to date of pharmacotherapies for AD, further study of exercise intervention, in a variety of care setting, is warranted. Copyright © 2008 John Wiley & Sons, Ltd.
A Concise Total Synthesis of Diospongins A and B
Authors: Sabitha Gowravaram , Padmaja Pannala , Yadav Jhillu S. 
Published: December 2008

AbstractThe total synthesis of the diarylheptanoids (−)‐diospongin A (1) and B (2) was achieved stereoselectively via the δ‐lactone intermediate 6. The key reactions involved are a stereoselective reduction of β‐keto ester and the Horner–Wadsworth–Emmons and intramolecular oxy‐Michael reactions.
A New Insight into the Catalytic Decomposition of Ethyl Diazoacetate in the Presence of meso‐Tetraarylporphyrin (=5,10,15,20‐Tetraaryl‐21H,23H‐porphine) Complexes
Authors: Gomes Ana T. P. C. , Leão Raquel A. C. , Alonso Cristina M. A. , Neves Maria G. P. M. S. , Faustino Maria A. F. , Tomé Augusto C. , Silva Artur M. S. , Pinheiro Sergio , de Souza Maria Cecília B. V. , Ferreira Vítor F. , Cavaleiro José A. S. 
Published: December 2008

AbstractThe decomposition of ethyl diazoacetate by several catalysts in the presence of meso‐tetraarylporphyrin complexes with different electronic features was evaluated. The distribution of the obtained products (chlorins, bacteriochlorins, isobacteriochlorins, and porphyrin derivatives resulting from CH insertion and Büchner ring expansion) is dependent on the catalyst and on the electronic features of the meso‐aryl groups.
Amphiphilic Multi‐Arm Block Copolymer Based on Hyperbranched Polyester, Poly(L‐lactide) and Poly(ethylene glycol) as a Drug Delivery Carrier
Authors: Prabaharan Mani , Grailer Jamison J. , Pilla Srikanth , Steeber Douglas A. , Gong Shaoqin 
Published: December 2008

AbstractA novel type of biodegradable/biocompatible amphiphilic hyperbranched copolymer (H40‐PLA‐b‐MPEG) was synthesized. Its micellar properties were studied by DLS, fluorescence spectroscopy and TEM. The drug release profile showed that the H40‐PLA‐b‐MPEG micelles provide an initial burst release, followed by a sustained release of the entrapped hydrophobic model drug over a period of 4 to 58 h. The copolymer degraded hydrolytically within 6 weeks under physiological conditions. The MTT assay showed no obvious cytotoxicity against a human endothelial cell line at a concentration range of 0–400 µg · mL−1. These results indicate that the H40‐PLA‐b‐MPEG micelles have great potential as hydrophobic drug delivery carriers.magnified image
Structure of corrosion film formed on copper exposed to controlled corrosive environment
Authors: Reid M. , Tanner D. A. , Belochapkine S. , Garfias L. F. 
Published: December 2008

AbstractThis paper describes a transmission electron microscopy (TEM) investigation of copper coupons exposed to a corrosive mixed flowing gas environment (MFG). A focused ion beam (FIB) lift‐out technique was used to extract electron transparent specimens for TEM investigation. A duplex corrosion film comprising cuprite (Cu2O) and chalcocite (Cu2S) developed on the copper substrate. The oxide demonstrated a dense morphology with evidence of chlorine in the oxide layer showing that chlorine plays an important role in the corrosion of copper transforming the protective Cu2O layer to a non‐protective layer. The outer layer of the Cu2S demonstrated a porous morphology allowing easy penetration of water and gases.
Synthesis and Photoresponsive Properties of Optically Active Methacrylic Polymers Bearing Side‐Chain Azocarbazole Moieties
Authors: Angiolini Luigi , Giorgini Loris , Mauriello Francesco , Rochon Paul 
Published: December 2008

AbstractThe synthesis of a novel optically active methacrylic monomer containing in the side chain the (S)‐3‐hydroxy‐N‐phenyl pyrrolidine ring linked to a 4‐cyanophenylazocarbazole moiety [(S)‐MCAPP‐C] and of the analogous achiral monomer (MCAPE‐C) is described. Both the monomers have been radically polymerized to produce the corresponding homopolymers as well as the copolymer at 50% molar composition. The photoinduction of birefringence has been assessed on thin films of the polymeric materials in order to evaluate their behavior as materials for optical data storage. Surface relief gratings (SRG) can also be inscribed over the material. The results are interpreted in terms of different cooperative performance and conformational stiffness of the chromophoric co‐units in the polymeric derivatives.magnified image
Synthesis of Amphiphilic Supramolecular Miktoarm Star Copolymers by Molecular Recognition
Authors: Lu Dairen , Wang Yun , Tao Kang , Bai Ruke 
Published: December 2008

AbstractSynthesis of novel amphiphilic supramolecular miktoarm star copolymers has been achieved through complementary molecular recognition and interactions between carboxy groups and amino groups. Polystyrenes carrying two and one carboxy groups at the middle of the polymer chain are used as precursors to react with poly(ethylene oxide) (PEO) end‐capped with a primary amine functionality (–NH2) or a quaternary ammonium hydroxide functionality (–N+(CH2CH3)3OH−). The result suggests that the basicity of the amine plays a key role in the molecular recognition procedure. The efficiency of ionic bond formation can be enhanced from 40% up to 97% by using PEO‐N+(CH2CH3)3OH− instead of PEO‐NH2. The obtained supramolecular polymers can be dissociated in dilute acid solution at room temperature.magnified image
Application of Fluorescence Depolarization Method to Monitor Free Volume in Gels of Stereoregular Polystyrene
Authors: Itagaki Hideyuki 
Published: December 2008

AbstractSummary: A fluorescence depolarization technique was applied to get the information on free volume among polymer chains in gel form. Four fluorescent molecules with different molecular sizes were doped throughout the gels of syndiotactic polystyrene (sPS) and isotactic polystyrene (iPS) physical gel system, and their fluorescence anisotropy values were examined in detail for a range of polymer concentrations. Consequently, the free volume among sPS chains in sPS/chloroform gels is as large as the size of molecules smaller than 1,5‐dimethylnaphthalene and is consistent with that of the cavity size in the δ‐empty crystalline form of sPS solids. The cause to produce δ‐empty crystalline form of sPS solids and to form cocrystals between sPS and guest molecules is discussed by comparing the molar size of guest molecules with the free volume among sPS chains in gel form.
Thermoreversible Poly(vinylidene fluoride) Gels: A Precursor to Multiporous Polymeric Materials
Authors: Dasgupta D. , Guenet J. M. , Nandi A. K. 
Published: December 2008

AbstractSummary: The thermodynamics of gelation of poly(vinylidene fluoride)(PVF2) with camphor (CP) and ethylene carbonate (EC) suggest polymer‐solvent compound formation. The presence of solvent molecules in the polymer crystalline phase of the gel is accordingly shown by wide angle X‐ray diffraction studies. The dried gels exhibit porous network morphology. Thermoreversible gel of PVF2 in diethyl azelate is also exploited to create multiporous polymer foam. Porosity measurements with the dried PVF2 gels using Mercury intrusion porosimetry and nitrogen sorption ensure the presence of macro and mesopores in the same matrix although the mesoporosity in dried PVF2‐CP gels strongly depend on method of drying.
Urinary nerve growth factor levels are elevated in patients with overactive bladder and do not significantly increase with bladder distention
Authors: Liu Hsin‐Tzu , Kuo Hann‐Chorng 
Published: December 2008

AbstractAimsUrinary nerve growth factor (NGF) levels have been found to be higher in patients with overactive bladder (OAB) compared to normal controls. This study investigated the effect of bladder volume on urinary NGF production in normal controls and patients with OAB.MethodsUrinary NGF levels were measured in 39 patients with OAB and in 35 control subjects without lower urinary tract symptoms (LUTS). Urine samples were collected at the first sensation of bladder filling (FSF) and at urge sensation (US), respectively, in both groups. Measurement of urinary NGF levels was performed by ELISA method and normalized by urinary creatinine concentration (NGF/Cr). The correlation between NGF/Cr level and increased bladder volume was analyzed.ResultsUrinary NGF/Cr levels in normal controls were very low at FSF (mean ± standard error, 0.011 ± 0.008) and were significantly higher at US (0.086 ± 0.022, P = 0.005). Patients with OAB had significantly higher urinary NGF/Cr levels both at FSF (0.45 ± 0.13, P = 0.001) and US (1.00 ± 0.32, P = 0.004) compared to controls. The difference in urinary NGF/Cr levels between FSF and US in OAB patients, however, was not significant (P = 0.064).ConclusionsUrinary NGF/Cr level was well correlated with bladder volume at US in the controls but not significant associated with bladder volume increase in patients with OAB. The results of this study suggest urinary NGF increases physiologically in normal subjects at urge to void but is pathologically elevated in OAB patients at small bladder volume and does not significantly increase at urgency sensation. Neurourol. Urodynam. 28:78–81, 2009. © 2008 Wiley‐Liss, Inc.
Assumed‐deformation gradient finite elements with nodal integration for nearly incompressible large deformation analysis
Authors: Broccardo M. , Micheloni M. , Krysl P. 
Published: December 2008

AbstractAn assumed‐strain finite element technique for non‐linear finite deformation is presented. The weighted‐residual method enforces weakly the balance equation with the natural boundary condition and also the kinematic equation that links the elementwise and the assumed‐deformation gradient. Assumed gradient operators are derived via nodal integration from the kinematic‐weighted residual. A variety of finite element shapes fits the derived framework: four‐node tetrahedra, eight‐, 27‐, and 64‐node hexahedra are presented here. Since the assumed‐deformation gradients are expressed entirely in terms of the nodal displacements, the degrees of freedom are only the primitive variables (displacements at the nodes). The formulation allows for general anisotropic materials and no volumetric/deviatoric split is required. The consistent tangent operator is inexpensive and symmetric. Furthermore, the material update and the tangent moduli computation are carried out exactly as for classical displacement‐based models; the only deviation is the consistent use of the assumed‐deformation gradient in place of the displacement‐derived deformation gradient. Examples illustrate the performance with respect to the ability of the present technique to resist volumetric locking. A constraint count can partially explain the insensitivity of the resulting finite element models to locking in the incompressible limit. Copyright © 2008 John Wiley & Sons, Ltd.
Modulation of electronic structures of thienylene vinylene oligomers by substituents and solvents: ground and excited states
Authors: Meng Suci , Jiang Jie , Wang Yujuan , Ma Jing 
Published: December 2008

AbstractThe effects of substituents on the electronic structures of di(thienylene vinylene) (2TV) in ground and excited states are studied using density functional theory (DFT) and time‐dependent DFT (TD‐DFT), respectively. A representative set of electron donating groups (amino, methoxy and methyl) and withdrawing groups (acetylene, cyano and nitro) are introduced on the vinylene and thienyl moieties to investigate the influence of substituents. Bulk solvent effects are also taken into account by means of the polarizable continuum model (PCM). In contrast to the aromatic structures of 2TV and its derivatives in their ground (S0) states, the electronic structures of first singlet excited (S1) states are rather delocalized. The electron‐donating/withdrawing capability, position and number of substituents are important factors in tuning the vertical S0 → S1 absorption energies and S1 → S0 emission energies of 2TV derivatives. The NO2‐ and NH2‐substituents exert significant effects on the geometries of both ground and excited states and hence the absorption and photoluminescence (PL) emission spectra. The solvent polarity introduces modest influence on the excitation energies for most of the 2TV derivatives. But the absorption and PL emission spectra of nitro‐substituted 2TV exhibit noticeable red shifts as the medium polarity increases. Copyright © 2008 John Wiley & Sons, Ltd.
Theoretical studies on the electronic and optical properties of arene‐ versus fluoroarene‐thiophene co‐oligomer
Authors: Ran Xue‐Qin , Feng Ji‐Kang , Ren Ai‐Min , Tian Wei Quan , Zou Lu‐Yi , Liu Yan‐Ling , Sun Chia‐Chung 
Published: December 2008

AbstractA series of regiochemically varied and core size extension‐modulated arene‐ and fluoroarene‐thiophene co‐oligomers and the unsubstituted sexithiophene α6T were investigated theoretically to explore their electronic and optical properties. These phenylene‐thiophene oligomers show great potential for application in organic light‐emitting diodes (OLEDs), organic diode lasers, and organic thin‐film transistors (OTFTs) because of their feasible tuning of optical and electronic properties by the various structural tunings. Density functional theory (DFT) and the ab initio HF were employed to investigate the geometric and electronic structures of the oligomers in the ground state, and the singles configuration interaction (CIS) methods were used to study the lowest singlet excited state. The lowest excitation energies (Egs), the radiative lifetime τ, and the maximal absorption/emission wavelength of the oligomers were studied within time‐dependent DFT (TDDFT). All calculations were performed using the 6‐31G(d) basis set. The results show that the HOMOs, LUMOs, energy gaps, ionization potentials (IPs), electron affinities (EAs), and reorganization energies are significantly affected by the various structural tunings in these co‐oligomers, which is important for the improvement of the hole and electron injection into OLEDs. Interestingly, the LUMO energy of 1b, 2b, and 3b is lower than that of α6T and 1a, 2a, 3a by about 0.12 ∼ 0.47 eV, indicating that the fluorophenyl‐substitution has significantly improved the electron injection properties of the oligomers. Copyright © 2008 John Wiley & Sons, Ltd.
Pulsed Plasma Deposition from Vinyltrimethylsilane/Oxygen Mixtures
Authors: Francescangeli Adriano , Palumbo Fabio , d'Agostino Riccardo , Defranoux Christophe 
Published: December 2008

AbstractIn this work, SiO2‐like films have been deposited in a capacitive coupled parallel plate reactor using low pressure, pulsed O2/VTMS plasmas. The influence of the duty cycle and of the period on the structure of films at fixed gas feed composition are shown. It has been demonstrated that the chemical process developed depends very much on the modulation parameters, and that the OFF time significantly contributes to the overall process kinetics. Furthermore, some indication have been obtained on the possibility of getting multistack gas barrier coatings by alternating organic and inorganic layers, in which the inorganic layer is deposited by means of modulated plasma processes based on vinyltrimethylsilane feeds.magnified image
Formation of Plasma‐Polymerized Top Layers on Composite Membranes: Influence on Separation Efficiency
Authors: Tran Dung Thi , Mori Shinsuke , Tsuboi Daisuke , Suzuki Masaaki 
Published: December 2008

AbstractPlasma‐polymerized reverse osmosis membranes were prepared by deposition of an allylamine plasma‐polymerized top layer onto a cellulose ester surface. Their separation performance was highly dependent on the formation of the top layer, which was itself determined by the plasma polymerization conditions. The density and the thickness of the plasma‐deposited polymer top layer influence the membrane flux, while the ability of the membrane to reject salt relies on the degree of polymer cross‐linking, which is in turns related to the transfer of plasma energy into monomer molecules during plasma polymerization. The separation efficiency of the multilayer reverse osmosis composite membrane can be optimized by choosing appopriate plasma conditions.magnified image
Thymoquinone protects dopaminergic neurons against MPP+ and rotenone
Authors: Radad Khaled , Moldzio Rudolf , Taha Mokhtar , Rausch Wolf‐Dieter 
Published: December 2008

AbstractThymoquinone is the main active constituent of Nigella sativa seeds with antioxidant and antiinflammatory properties. In the present study, primary dopaminergic cultures from mouse mesencephala were used to investigate the neuroprotective effects of thymoquinone against MPP+ and rotenone toxicities. MPP+ (10 µm on day 10 in vitro (i.v.) for 48 h) significantly decreased the number of THir by 40% compared with untreated control cultures. Rotenone at both short (20 nm on day 10 i.v. for 48 h) and long‐term (1 nm on day 6 i.v. for 6 consecutive days) toxicities reduced the number of THir neurons by 33% and 24%, respectively. Treatment of cultures with thymoquinone (0.01, 0.1, 1, 10 µm on day 8 i.v. for 4 days) rescued about 25% of THir neurons at concentrations of 0.1 µm and 1 µm against MPP+‐induced cell death. Against rotenone, thymoquinone afforded significant protection in both short‐ and long‐term models. In short‐term rotenone toxicity, thymoquinone (from days 8–12 i.v.) saved about 65%, 74% and 79% of THir neurons at concentrations of 0.01, 0.1 and 1 µm, respectively, compared with cell loss induced by rotenone. In long‐term rotenone toxicity, concomitant treatment of cultures with thymoquinone significantly rescued about 83–100% of THir neurons compared with rotenone‐treated cultures. In conclusion, the current study presents for the first time the potential of thymoquinone to protect primary dopaminergic neurons against MPP+ and rotenone relevant to Parkinson's disease. Copyright © 2008 John Wiley & Sons, Ltd.
A new approach to aid the characterisation and identification of metabolites of a model drug; partial isotope enrichment combined with novel formula elucidation software
Authors: Hobby Kirsten , Gallagher Richard T. , Caldwell Patrick , Wilson Ian D. 
Published: December 2008

AbstractThis work describes the identification of ‘isotopically enriched’ metabolites of 4‐cyanoaniline using the unique features of the software package ‘Spectral Simplicity’. The software is capable of creating the theoretical mass spectra for partially isotope‐enriched compounds, and subsequently performing an elemental composition analysis to give the elemental formula for the ‘isotopically enriched’ metabolite. A novel mass spectral correlation method, called ‘FuzzyFit’, was employed. ‘FuzzyFit’ utilises the expected experimental distribution of errors in both mass accuracy and isotope pattern and enables discrimination between statistically probable and improbable candidate formulae. The software correctly determined the molecular formulae of ten previously described metabolites of 4‐cyanoaniline confirming the technique of partial isotope enrichment can produce results analogous to standard methodologies. Six previously unknown species were also identified, based on the presence of the unique ‘designer’ isotope ratio. Three of the unknowns were tentatively identified as N‐acetylglutamine, O‐methyl‐N acetylglucuronide and a putative fatty acid conjugate. The discovery of a significant number of unknown species of a model drug with a comprehensive history of investigation highlights the potential for enhancement to the analytical process by the use of ‘designer’ isotope ratio compounds. The ‘FuzzyFit’ methodology significantly aided the elucidation of candidate formulae, by provision of a vastly simplified candidate formula data set. Copyright © 2008 John Wiley & Sons, Ltd.