bluuebunny/crossref_metadata_2025_split huggingface dataset:
Conditioning of Dry Lignite for Continuous Feeding with a Slurry Pump into Novel Pressurized Gasifiers
Authors: Rosin Alexander , Schröder Hans‐Werner , Repke Jens‐Uwe 
Published: July 2014

AbstractEintragssysteme für Braunkohle in neuartige Hochdruckvergaser sollten nicht nur kontinuierlich arbeiten und eine vollkommene Abdichtung gegenüber dem Reaktor sichern, sondern auch zu einer deutlichen Verbesserung des energetischen Wirkungsgrades des Vergasungsprozesses führen. Ein potenzieller Lösungsansatz ist der Einsatz von Dickstoffpumpen, die Feuchtstoffe mit hohem Feststoffgehalt fördern können. Ihre Verwendung ist jedoch nur mit entsprechend modifizierter Braunkohle möglich. In den durchgeführten Untersuchungen werden verschiedene Konditionierungsmethoden aufgezeigt.
Direct Determination of Sulfur in Coal by Electrothermal Vaporization Coupled with Optical Emission Spectrometry
Authors: Bauer Daniela , Vogt Thomas , Lehmann Franz , Otto Matthias 
Published: July 2014

AbstractDie direkte Feststoff‐Multielementanalytik von Kohle und deren Konversionsprodukten mittels elektrothermischer Verdampfung in Verbindung mit einem Atomemissionsspektrometer mit induktiv gekoppeltem Plasma (ETV‐ICP OES) wird am Beispiel der Schwefelbestimmung dargestellt. Zusätzlich zur Gesamtgehaltsbestimmung ist eine Aussage über das Freisetzungsverhalten des Schwefels, basierend auf der kontrollierten thermischen Zersetzung der Probe in Argonatmosphäre und unter Normaldruck möglich. Dies könnte die Grundlage für eine temperaturabhängige Schwefelspeziation darstellen.
Modelling and simulation of carbon dioxide absorption by aqueous MEA solution in hollow fibre membrane contactors
Authors: Memardoost Saber , Hashemi Aref , Molaei Dehkordi Asghar 
Published: July 2014

AbstractIn this article, a comprehensive model has been developed for analyzing the transport phenomena in hollow fibre membrane contactors operated under non‐wetted or partially wetted conditions. In this regard, the dynamic behaviour of membrane contactors, considering the entrance regions of momentum, thermal energy, and mass transfers, was investigated carefully. Moreover, effects of temperature distribution on the contactor efficiency were examined by taking into account the influences of heat of solution, heat of reaction, and the viscous dissipation. The chemical system studied was a gas sweetening process, including methane and carbon dioxide as the gaseous mixture, and MEA aqueous solution as the solvent. CFD techniques have been used to solve the nonlinear governing equations simultaneously, and the model predictions were validated against reported experimental data in the literature, and excellent agreement was found. Comparing the model predictions with those of previous models shows relatively better accuracy of the model predictions. Furthermore, distributions of velocity, temperature, and species concentrations in the tube side, shell side, and the membrane were obtained and the effects of various operating and design parameters such as wetting fraction, gas and liquid inlet velocities, inlet temperature of the solvent, MEA concentration, and CO2 volume fraction of the feed on these distributions were carefully studied. Finally, the dynamic response of the system was investigated by analyzing the contactor's response to different step and pulse changes.
UVC based advanced oxidation for decolourization and mineralization of calconcarboxylic acid in aqueous solution: Eco‐toxicological effect of post treated solutions and its remedy
Authors: Sahoo Mihir K. , Sinha Bhauk , Sharan Rajesh. N. 
Published: July 2014

AbstractThe present study reports two important aspects of wastewater treatment by UVC light (λ = 254 nm) in the presence of hydrogen peroxide (HP) and ammonium persulphate (APS) taking Calconcarboxylic acid (CCA) as a model pollutant. The first part deals with the effect of various operational parameters on the decolourization and mineralization of CCA. Most importantly, the eco‐toxicological effect of the treated solutions was examined on the basis of E. coli growth inhibition bioassay and the remedy for the same has been suggested in the second part. Although both oxidants show higher mineralization at pH 1, APS is preferred over HP for having higher mineralization, biodetoxification, and electrical energy efficiency. The presence of –COOH group in CCA has detrimental effect on its mineralization and biodetoxification, as well as on the electrical energy efficiency. Although a rise in mineralization at all pH is observed by the removal of the –COOH group, it is significant in alkaline media. Since treatment at pH 1 is not ideal for real scale applications, it is advisable to remove the –COOH group before treatment, so as to make treatment possible in alkaline media. Removal of –COOH group also leads to higher biodetoxification in a shorter treatment period.
Seismic Wave Dispersion Effects and Inverse Q‐Filter Phase Compensation
Authors: Gu‐Lan ZHANG , Zhen‐Hua HE , Xi‐Ming WANG , Jian‐Jun ZHANG , Yan‐Bin ZHANG , Fei LI 
Published: July 2014

AbstractBased on the expression of amplitude attenuation and phase velocity dispersion proposed by Futterman, and considering the well‐seismic matching, we derived the expression of seismic wave velocity dispersion between phase velocity and amplitude spectrum for the following four cases: without inverse Q‐filter, with only inverse Q‐filter amplitude compensation, with only inverse Q‐filter phase compensation, with inverse Q‐filter phase and amplitude compensation. We explained the necessity of inverse Q‐filter phase compensation in theory. Through the zero‐offset VSP data example of dynamite and vibroseis source with the same acquisition geometry, we verified the velocity dispersion expression derived in this paper. Through the example of well‐seismic calibration, we further illustrated that inverse Q‐filter phase compensation can effectively eliminate seismic wave velocity dispersion, enhance well‐seismic matching, finally improve the reliability of surface seismic data.
Stress Build‐up in the Shallow Crust Before the Lushan Earthquake Based on the in Situ Stress Measurements
Authors: Cheng‐Hu WANG , Cheng‐Ke SONG , Qi‐Liang GUO , Yan‐Shan ZHANG , Jian‐Min DING 
Published: July 2014

AbstractThe 2013 Ms7.0 Lushan earthquake in Sichuan Province, China, was extremely destructive. Earthquake analysis using stress build‐up in the upper crust is useful for understanding seismogenic mechanisms. In situ stress data from 22 boreholes show that the stress regime is reverse faulting, and indicate that the stress state in the area is relatively stable. The ratio of the half maximum differential stress to the mean effective stress, μm, is employed to reflect the capability and stress build‐up level of the upper crust. μm ranges from 0.39 to 0.56, approaching the lower limit defined by the Byerlee law, which agrees well with laboratory measurements of static friction coefficients. The occurrence of the Lushan earthquake proves that the upper crust in the area is in a critical frictional equilibrium or sub‐equilibrium state. The Lushan earthquake may have been induced by stress increase on the Longmenshan fault from the Wenchuan earthquake.
Reirradiation of recurrent medulloblastoma: Does clinical benefit outweigh risk for toxicity?
Authors: Wetmore Cynthia , Herington Danielle , Lin Tong , Onar‐Thomas Arzu , Gajjar Amar , Merchant Thomas E. 
Published: July 2014

BACKGROUNDPatients with recurrent medulloblastoma (MB) have a dismal prognosis. There has been a reluctance to use radiation in the salvage therapy regimens for these patients because of concerns about toxicity and unknown efficacy. Comparing survival outcomes and toxicities in relapsed patients treated with and without radiation may help to define its role.METHODSA retrospective review was conducted that included 38 patients with recurrent MB treated with similar risk‐adapted therapy at initial diagnosis; reirradiation was a component of salvage therapy in 14. Overall survival (OS) and toxicity were evaluated according to the use of radiation, prior risk stratification, and other factors.RESULTSFor relapsed standard‐risk patients, the use of additional irradiation resulted in a statistically significant improvement in OS from initial diagnosis (P = .036), with 5‐ and 10‐year OS rates of 55% ± 14% and 33% ± 16% versus 46% ± 14% and 0% for reirradiated patients versus others, respectively. Similar improvement was observed in high‐risk patients (P = .003). There was an association between the use of additional irradiation and an increased rate of necrosis as determined by neuroimaging (P = .0468).CONCLUSIONSThe use of irradiation as a component of salvage therapy for relapsed MB may prolong survival. The benefit appears to be greatest for relapsed standard‐risk patients. Cancer 2014;120:3731–3737. © 2014 American Cancer Society.
Asymmetric communication models for resource‐constrained hierarchical ethernet networks
Authors: Zhu Jun , Lastovetsky Alexey , Ali Shoukat , Riesen Rolf , Hasanov Khalid 
Published: July 2014

SummaryCommunication time prediction is critical for parallel application performance tuning, especially for the rapidly growing field of data‐intensive applications. However, making such predictions accurately is non‐trivial when contention exists on different components in hierarchical networks. In this article, we derive an ‘asymmetric network property’ on transmission control protocol (TCP) layer for concurrent bidirectional communications in a commercial off‐the‐shelf (COTS) cluster and develop a communication model as the first effort to characterize the communication times on hierarchical Ethernet networks with contentions on both network interface card and backbone cable levels. We develop a micro‐benchmark for a set of simultaneous point‐to‐point message‐passing interface (MPI) operations on a parametrized network topology and use it to validate our model extensively and show that the model can be used to predict the communication times for simultaneous MPI operations (both point‐to‐point and collective communications) on resource‐constrained networks effectively. We show that if the asymmetric network property is excluded from the model, the communication time predictions will be significantly less accurate than those made by using the asymmetric network property. In addition, we validate the model on a cluster of Grid5000 infrastructure, which is a more loosely coupled platform. As such, we advocate the potential to integrate this model in performance analysis for data‐intensive parallel applications. Our observation of the performance degradation caused by the asymmetric network property suggests that some part of the software stack below TCP layer in COTS clusters needs targeted tuning, which has not yet attracted any attention in literature. Copyright © 2014 John Wiley & Sons, Ltd.
Exploration/exploitation of a hybrid‐enhanced MPSO‐GA algorithm on a fused CPU‐GPU architecture
Authors: Franz Wayne , Thulasiraman Parimala , Thulasiram Ruppa K. 
Published: July 2014

SummaryRecent work in metaheuristic algorithms has shown that solution quality may be improved by composing algorithms with orthogonal characteristics. At the same time, fused CPU‐GPU systems have emerged as a unique platform on which to study these algorithms. Using metaheuristic algorithms requires striking a balance between local and global exploration. There are no governing rules, however, to balance these. In this paper, we study two population‐based metaheuristic algorithms: multi‐swarm particle swarm optimization (MPSO) and genetic algorithms (GAs). We investigate parallel MPSO variants with genetic operators to increase quality: crossover, mutation, swapping, and all three. We develop a hybrid parallel algorithm that combines a slower convergent algorithm (GA) with a faster one (MPSO). The hybrid achieves significant initial improvement in solution quality but no significant difference in the final average fitness. Executing the GA on the GPU requires approximately an order of magnitude less time (0.07–0.18 s) than on the CPU. Our platform is the AMD A8‐3530MX accelerated processing unit that packs four ×86 CPU cores and 80 very long instruction word GPU processing elements. We make effective use of the hierarchical memory structure on the accelerated processing unit, four‐way very long instruction word vectorization, and zero‐copy buffers. Copyright © 2014 John Wiley & Sons, Ltd.
The Fenna–Matthews–Olson Protein Revisited: A Fully Polarizable (TD)DFT/MM Description
Authors: Jurinovich Sandro , Curutchet Carles , Mennucci Benedetta 
Published: July 2014

AbstractWe report a combined molecular dynamics and quantum mechanics (QM)/molecular mechanics (MM) analysis of the excitonic properties of the Fenna–Matthews–Olson (FMO) protein by using a polarizable MM model combined with a time‐dependent density functional theory description. Overall, our results indicate that structural fluctuations, electrostatic interactions, and short‐range quantum effects can significantly modulate the model Hamiltonian parameters (site energies and couplings). We find that the specific interactions with the axial ligand and the hydrogen‐bonded residues are responsible for the energy ladder, with their effects being mainly due to electrostatic interactions, but with short‐range quantum contributions that are not negligible. In addition, a striking modulation of the screening effects experienced by the BChl pairs, due to the heterogeneous polarizability of the FMO and solvent environment, is observed. Finally, we find that the exciton model gives a reliable description of the delocalized excited states in the complex.
Aminoalkyl‐1,1‐bis(phosphinic acids): Stability, Acid–Base, and Coordination Properties
Authors: David Tomáš , Procházková Soňa , Kotek Jan , Kubíček Vojtěch , Hermann Petr , Lukeš Ivan 
Published: July 2014

AbstractFour geminal bis(phosphinic acids), namely, aminomethylbis(H‐phosphinic acid) (H2L1) and 4‐aminobutyl‐1‐hydroxy‐1,1‐bis(R‐phosphinic acid) with R = H (H2L2), Me (H2L3) and CH2CH2COOH (H4L4), were studied. Their acid–base properties and coordination ability towards Cu2+, Ni2+ and Zn2+ ions were studied by potentiometry, UV/Vis spectroscopy and NMR spectroscopy. The amine group in H2L1 has a lower protonation constant (log Ka = 6.79) than those found for other studied bisphosphinates (log Ka = 10.75–11.05) with distant amine groups. The structure of [Ca(H2L2‐O,O′)(HL2‐O,O′)]Cl revealed an octahedral arrangement of the metal coordination sphere and a linear polymeric structure, which forms through eight‐membered Ca(–O–P–O–)2Ca rings. The structure of [Cu(HL3‐O,O′)2(H2O)]·5H2O shows two chelating bisphosphinate groups in an equatorial O4 environment. The structure of [Cu(H0.5L3‐O,O′)(NO3)0.5]·2.25H2O shows two different coordination environments, one is an elongated tetragonal pyramid, and the other is a trigonal bipyramid with a bidentate nitrate ion.
One‐Pot Multiple Metal–Organic Framework Formation: Concomitant Generation of Structural Isomers or of Drastically Distinct Materials
Authors: Cheansirisomboon Achareeya , Salinas‐Uber Jorge , Massera Chiara , Roubeau Olivier , Youngme Sujittra , Gamez Patrick 
Published: July 2014

AbstractThe solvothermal reaction of 2,5‐dihydroxyterephthalic acid (H2dhtp) and magnesium(II) nitrate in N,N‐dimethylformamide (DMF) led to the simultaneous formation of two structural isomers, namely, the lvt network Mg(dhtp)(dmf)2 (1) and the compound Mg3(dhtp)3(dmf)6·0.75H2O (2) with the pcu α‐Po primitive cubic topology. The same reaction conditions with manganese(II) nitrate and terephthalic acid (H2tp) resulted in the concomitant generation of two drastically different metal–organic frameworks (MOFs), namely, Mn2(tp)2(dmf)2 (3) and [Mn(HCOO)3][NC2H8] (4), in which the formato ligands and N,N‐dimethylammonium cations arise from DMF degradation.
Synthesis and Characterisation of Bridged Titanocene Oxido Complexes and Their Reactions with Water
Authors: Godemann Christian , Barsch Enrico , Spannenberg Anke , Ludwig Ralf , Beweries Torsten 
Published: July 2014

AbstractThe synthesis of two pyridine‐stabilised ansa‐titanocene oxido complexes is described. Oxidation of the titanocene sources Cpb2Ti(η2‐Me3SiC2SiMe3) (Cpb2 = bridged η5‐cyclopentadienyl, 1a and 1b) with nitrous oxide yields corresponding oxido compounds 2a and 2b, respectively, in high yields. These can be hydrolysed to give dihydroxido complexes 3a and 3b, respectively, without the formation of by‐products. The hydrolysis reaction was monitored by means of in situ IR spectroscopy. Hitherto unknown complexes 2a and 2b were fully characterised, and their molecular structures are reported in this paper.
Enantioselective Hydrosilylation of Ketones Catalyzed by a Readily Accessible N‐Heterocyclic Carbene–Ir Complex at Room Temperature
Authors: Shinohara Kanako , Kawabata Shun , Nakamura Hanako , Manabe Yoshiki , Sakaguchi Satoshi 
Published: July 2014

AbstractA series of functionalized azolium compounds were synthesized from chiral α‐amino acid derivatives such as β‐amino alcohols. Reaction of hydroxy‐amide‐functionalized azolium salts thus obtained with Ag2O afforded N‐heterocyclic carbene‐Ag (NHC–Ag) complexes. Subsequent treatment of the resulting silver compound with [IrCl(cod)]2 yielded monodentate IrCl(cod)(NHC), which was stable in air. The NHC–Ir complex facilitated efficient asymmetric hydrosilylation of ketones using (EtO)2MeSiH under ambient conditions. A chiral ligand containing an isobutyl stereodirecting group was found to be the best ligand for the functionalized NHC–Ir complexes that were examined. A linear relationship was found between the catalyst ee and the product ee. The hydroxy functional group on the NHC ligand side‐arm not only induced stereocontrol but also enhanced the reaction rate.
Controlled Acid‐Mediated Regioselective O‐Desilylations for Multifunctionalization of Cyclodextrins
Authors: Gu Jiamin , Chen Tong , Zhang Ping , Ling Chang‐Chun 
Published: July 2014

AbstractA highly valuable tri‐/tetra‐functionalization method is reported for cyclodextrin (CD) chemistry by taking advantage of the acid‐sensitivity of the O‐silyl ether group and also the geometry of CD macrocycles. The controlled acid‐mediated O‐desilylations from the easily accessible per‐3,6‐O‐silylated CD derivatives provide unprecedented regioselectivity to differentiate not only primary O‐silyl groups from secondary groups, but also O‐silyl groups of the same type with identical chemical reactivity. This methodology differs from other conventional monofunctionalization methods of natural CDs, which only allow for a direct twofold differentiation of hydroxyl groups in a CD, because the current method permits the synthesis of tri‐ and tetra‐functionalized CDs in a short reaction sequence. Most importantly, the developed method has been found to be applicable to all α‐, β‐, and γ‐CDs and the obtained CD intermediates are versatile. Furthermore, we demonstrate that these processes are practical and can be carried out on multigram scales.
The effects of aging on insight into illness in schizophrenia: a review
Authors: Gerretsen Philip , Plitman Eric , Rajji Tarek K. , Graff‐Guerrero Ariel 
Published: July 2014

ObjectivesImpaired insight into illness is a prevalent feature of schizophrenia, which negatively influences treatment adherence and clinical outcomes. Little is known about the effects of aging on insight impairment. We aimed to review the available research literature on the effects of aging on insight into illness in schizophrenia, in relation to positive, negative, and cognitive symptoms. Ultimately, we propose a trajectory of insight in schizophrenia across the lifespan.MethodA systematic Medline® literature search was conducted, searching for English language studies describing the relationship of insight into illness in schizophrenia with aging.ResultsWe identified 62 studies. Insight impairment is associated with illness severity, premorbid intellectual function (i.e. IQ), executive function, and memory. Insight impairment improves modestly during midlife, worsening again in late life. It tends to fluctuate with each episode of psychosis, likely in relation to worsening positive symptoms that improve with antipsychotic treatment. The relationship between insight impairment and cognitive dysfunction appears to attenuate with age, while the relationship with lower premorbid intellectual function is preserved. The association between impaired insight and negative symptoms is unclear.ConclusionsThe available literature suggests that the course of insight impairment follows a U‐shaped curve, where insight impairment is severe during the first episode of psychosis, modestly improves over midlife, and declines again in late life. Future studies are required to investigate the trajectory of insight into illness and its core domains across the lifespan from prodromal phase to late life. Copyright © 2014 John Wiley & Sons, Ltd.
Integration of geriatric mental health screening into a primary care practice: a patient satisfaction survey
Authors: Samuels S. , Abrams R. , Shengelia R. , Reid M. C. , Goralewicz R. , Breckman R. , Anderson M. A. , Snow C. E. , Woods E. C. , Stern A. , Eimicke J. P. , Adelman R. D. 
Published: July 2014

ObjectiveColocation of mental health screening, assessment, and treatment in primary care reduces stigma, improves access, and increases coordination of care between mental health and primary care providers. However, little information exists regarding older adults' attitudes about screening for mental health problems in primary care. The objective of this study was to evaluate older primary care patients' acceptance of and satisfaction with screening for depression and anxiety.MethodsThe study was conducted at an urban, academically affiliated primary care practice serving older adults. Study patients (N = 107) were screened for depression/anxiety and underwent a post‐screening survey/interview to assess their reactions to the screening experience.ResultsMost patients (88.6%) found the length of the screening to be “just right.” A majority found the screening questions somewhat or very acceptable (73.4%) and not at all difficult (81.9%). Most participants did not find the questions stressful (84.9%) or intrusive (91.5%); and a majority were not at all embarrassed (93.4%), upset (93.4%), or uncomfortable (88.8%) during the screening process. When asked about frequency of screening, most patients (72.4%) desired screening for depression/anxiety yearly or more. Of the 79 patients who had spoken with their physicians about mental health during the visit, 89.8% reported that it was easy or very easy to talk with their physicians about depression/anxiety. Multivariate results showed that patients with higher anxiety had a lower positive reaction to the screen when controlling for gender, age, and patient–physician communication.ConclusionsThese results demonstrate strong patient support for depression and anxiety screening in primary care. Copyright © 2014 John Wiley & Sons, Ltd.