bluuebunny/crossref_metadata_2025_split huggingface dataset:
Noncovalent Interaction of Graphene with Heterocyclic Compounds: Benzene, Imidazole, Tetracene, and Imidazophenazines
Authors: Zarudnev Eugene , Stepanian Stepan , Adamowicz Ludwik , Karachevtsev Victor 
Published: November 2015

AbstractNoncovalent functionalization of graphene with organic molecules offers a direct route to multifunctional modification of this nanomaterial, leading to its various possible practical applications. In this work, the structures of hybrids formed by linear heterocyclic compounds such as imidazophenazine (F1) and its derivatives (F2‐F4) with graphene and the corresponding interaction energies are studied by using the DFT method. Special attention is paid to the hybrids where the attached molecule is located along the graphene zigzag (GZZ) and armchair (GAC) directions. The interaction energies corresponding to the graphene hybrids of the F1‐F4 compounds for the two directions are found to be distinct, while tetracene (being a symmetrical molecule) shows a small difference between these binding energies. It is found that the back‐side CH3 and CF3 groups have an important influence on the arrangements of F1 derivatives on graphene and on their binding energies. The contribution of the CF3 group to the total binding energy of the F3 molecule with graphene is the largest (3.4 kcal mol−1) (the GZZ direction) while the CH3 group increases this energy of F2 only by 2.0 kcal mol−1 (the GAC direction). It is shown that replacing the carbons with other atoms or adding a back‐side group enables one to vary the polarizability of graphene.
Numerical Modeling of the Droplet Vaporization for Design and Operation of Liquid‐pulsed CVD
Authors: Boichot Raphaël , Krumdieck Susan 
Published: November 2015

AbstractThis article presents an approach for modeling the vaporization of droplets of solvent and precursor mixture under vacuum in the pulsed‐pressure (pp) CVD process. The pulsed, direct liquid injection apparatus with ultrasonic atomizer is demonstrated as a controllable and reliable alternative to the bubbler and carrier gas system. The numerical modeling solves mass, heat, and momentum continuity equations on liquid droplets, and is intended to evaluate the relative roles of the physical chemistry properties and reactor parameters in the fast vaporization of droplets. The sensitivity analysis proposed here shows that the vaporization time into the pulsed‐liquid CVD system is mainly dependent on the heating available in the flash evaporation zone, then on the thermodynamic properties of the liquid solution.
Practice and nap schedules modulate children's motor learning
Authors: Ren Jie , Guo Wei , Yan Jin H. , Liu Guanmin , Jia Fujun 
Published: November 2015

ABSTRACTNight‐ or day‐time sleep enhances motor skill acquisition. However, prominent issues remained about thecircadian(time‐of‐day) andhomeostatic(time since last sleep) effects of sleep on developmental motor learning. Therefore, we examined the effects of nap schedules and nap‐test‐intervals (NTIs) on the learning of finger tapping sequences on computer keyboards. Children aged 6–7, 8–9, and 10–11 years explicitly acquired the short and long tapping orders that share the same movement strings (4‐2‐3‐1‐4, 4‐2‐3‐1‐4‐2‐3‐1‐4). Following a constant 8‐ or 10‐hr post‐learning period in one of the four NTIs (2, 4, 5, 7 hr), children in the morning napping groups, the afternoon napping groups, or the waking group performed the original long sequence in retention test (4‐2‐3‐1‐4‐2‐3‐1‐4) and the mirrored‐order sequence in transfer test (1‐3‐2‐4‐1‐3‐2‐4‐1). Age and treatment differences in the movement time (MT, ms) and sequence accuracy (SA, %) were compared during skill learning and in retrieval tests. Results suggest that practice or nap affects MT and SA in a greater extent for the younger learners than for the older learners. Thecircadianeffects might not change nap‐based skill learning. Importantly, the longer NTIs resulted in superior retention performance than the shorter ones, suggesting that children require a relatively longer post‐nap period to form motor memory. Finally, nap‐based motor learning was more marked in skill retention than in skill transfer. Brain development may play an important role in motor learning. Our discussion centers on memory consolidation and its relevance for skill acquisition from early to late childhood. © 2015Wiley Periodicals, Inc. Dev Psychobiol 58:107–119, 2016.
A Method of Constructing Phase Spreading Sequences for CPM‐CDMA Systems
Authors: MORIOKA KAZUYUKI , ASANO DAVID 
Published: November 2015

SUMMARYIn this paper, a construction method for phase spreading sequences that is suitable for CPM‐CDMA systems is proposed. Using these sequences, the performance of asynchronous CPM‐CDMA systems with traditional BPSK/OQPSK‐CDMA systems and the trade‐off between the spreading factor and modulation parameters are considered. Numerical results show that the optimal modulation index for CPFSK‐CDMA systems is and the performance is better for lower values of in GMSK‐CDMA systems. Also, we found that the user capacities of MSK‐CDMA systems are 2.3 times larger than those of BPSK/OQPSK‐CDMA systems.
A Serial Processing FIR Inverse Filter Circuit
Authors: TAKATO KENJI 
Published: November 2015

SUMMARYInverse filters are used in many fields, including audio circuits, metal and optical telecom line equalization, and wireless equalization. The purpose of such filters is to compensate for distortion in the signal caused by the transmission medium. Design methods for an inverse filter using an IIR filter, FFT/IFFT, and an adaptive FIR filter are available. However, an IIR filter has some problems as regards stability. The FFT/IFFT method requires significant calculation and the adaptive FIR filter needs substantial time. This paper proposes a new method of generating the FIR inverse filter coefficients through serial calculations of the impulse response and its expected value. At first, all coefficients of the FIR filter except the first are set to zero. When an input of the impulse response data XN is applied to the filter, the temporal output of the FIR filter WN is compared to the expectation value EN, and the FIR inverse filter coefficients gN are calculated using step by step. This algorithm is simulated by calculations in Excel. The FPGA circuit is synthesized using VHDL and a behavior model is simulated using the ISE design tool. The coefficients of the filter are generated during the input period of the data XN. Therefore, real‐time inverse filter circuit generation is possible.
Moving beyond bioclimatic envelope models: integrating upland forest and peatland processes to predict ecosystem transitions under climate change in the western Canadian boreal plain
Authors: Schneider Richard R. , Devito Kevin , Kettridge Nicholas , Bayne Erin 
Published: November 2015

AbstractBy the end of this century, much of the climate space of western Canada's boreal forest is expected to shift northwards and be replaced by climates that are currently associated with aspen forest, parkland and grassland ecosystems. In this study, we review the various processes that will mediate ecological responses to these projected changes in climate. We conclude that ecological transitions are unlikely to involve a gradual wave‐like shift in ecotonal boundaries. Instead, we predict that ecological changes will lag substantially behind changes in climate and that individual ecosystem components will respond at different rates. In particular, if precipitation inputs are maintained as expected, then peatlands should exhibit considerable resilience to climate change and remain a dominant feature on the landscape in 2100. Because peatlands retain large amounts of water on the landscape their continued presence may in turn slow the rate of forest loss, especially the aspen component. Thus, ecological response to climate change in the western boreal region may involve a transition to a novel ecosystem that includes peatlands and aspen as dominant features – unlike anything that exists today. Moreover, this interim stage may remain in place well into the next century, potentially providing additional time for forest‐dependent species to adapt. Copyright © 2015 John Wiley & Sons, Ltd.
Preparation of a CuInS2 Nanoparticle Ink and Application in a Selenization‐Free, Solution‐Processed Superstrate Solar Cell
Authors: Cheshme Khavar Amir Hossein , Mahjoub Ali Reza , Tajabadi Fariba , Dehghani Mehdi , Taghavinia Nima 
Published: November 2015

AbstractWe report a study on chalcopyrite solar cells fabricated by low‐cost, nonvacuum, and selenization‐free methods. Superstrate‐type CuInS2 (CIS) thin‐film solar cells were prepared by sequential ink deposition. The CIS film was formed from a stable low‐carbon ink, which was synthesized at low temperature (<120 °C). The CIS nanoparticle ink was prepared with n‐butylamine and acetic acid as the solvent and stabilizer, respectively. The viscous and stable ink that formed through the dispersion of the final nanoparticles in N,N‐dimethylformamide (DMF) could be deposited readily onto the substrate. The major features of the obtained ink are the small amount of impurity phases and negligible carbon residue (ca. 2.8 %). The obtained ink was used for the fabrication of superstrate solar‐cell devices with a glass/FTO/TiO2/In2S3/CIS/carbon (FTO = fluorine‐doped tin oxide) structure. The performance of the solar cells was improved by optimizing different synthetic and geometric parameters, including the sulfur source, reaction time, reaction temperature, buffer‐layer thickness and second annealing temperature. The best cells were obtained by using inks with thiourea as the sulfur source, and a high current density of 21 mA/cm2 and 5.2 % efficiency were obtained. This current density is the highest among those reported for solution‐based superstrate CIS solar cells and is comparable to those of solar cells fabricated with a selenization step at high temperature. The ink is stable, and the efficiency of the device fabricated with ink aged for 100 d is ca. 12 % less than that of the device fabricated with fresh ink.
Systematic study of aqueous monoethanolamine‐based CO2 capture process: model development and process improvement
Authors: Li Kangkang , Cousins Ashleigh , Yu Hai , Feron Paul , Tade Moses , Luo Weiliang , Chen Jian 
Published: November 2015

AbstractIn this paper, we present improvements to postcombustion capture (PCC) processes based on aqueous monoethanolamine (MEA). First, a rigorous, rate‐based model of the carbon dioxide (CO2) capture process from flue gas by aqueous MEA was developed using Aspen Plus, and validated against results from the PCC pilot plant trials located at the coal‐fired Tarong power station in Queensland, Australia. The model satisfactorily predicted the comprehensive experimental results from CO2 absorption and CO2 stripping process. The model was then employed to guide the systematic study of the MEA‐based CO2 capture process for the reduction in regeneration energy penalty through parameter optimization and process modification. Important process parameters such as MEA concentration, lean CO2 loading, lean temperature, and stripper pressure were optimized. The process modifications were investigated, which included the absorber intercooling, rich‐split, and stripper interheating processes. The minimum regeneration energy obtained from the combined parameter optimization and process modification was 3.1 MJ/kg CO2. This study suggests that the combination of a validated rate‐based model and process simulation can be used as an effective tool to guide sophisticated process plant, equipment design and process improvement.
Photolysis of α,β‐Epoxyketones: A Green Synthesis of β‐Hydroxyenones through Tandem H‐Abstraction, Ring Cleavage and Isomerisation
Authors: Dalal Aarti , Kumar Dinesh , Kamboj Ramesh C 
Published: November 2015

AbstractThe photochemical behavior of various substituted epoxycarbonyl compounds consisting of more than one possible photo‐labile site (i.e. δ‐hydrogen, β‐hydrogen and epoxide ring) has been investigated. These compounds on photo‐irradiation produced the β‐hydroxyenones in an eco‐friendly green approach. Mechanistically, these photo‐transformations have been envisaged to occur via an intramolecular β‐hydrogen abstraction by the carbonyl group of benzoyl moiety to generate the 1,3‐biradical followed by epoxide ring opening that isomerizes into the photoproducts. The photolysis of the probed epoxy ketones didn’t furnish any photoproduct through δ‐hydrogen abstraction, whatsoever. This exclusive preference for β‐H abstraction over δ‐H abstraction by carbonyl group has been vindicated by the MM2 energy mini‐ mized program for the investigated photochemical substrates. The structures of these photoproducts were established from the analysis of their spectral parameters (IR, 1H/13C NMR and Mass) and single crystal X‐ray crystallography data.
Mechanism of the Adsorption Process: Cu2+ Adsorpted by Ramie Stalk
Authors: Xu Sheng , Gong Xiaofeng , Zou Huiling , Liu Chunying , Chen Chunli , Zeng Xiaoxing 
Published: November 2015

AbstractAgriculture wastes, ramie stalk, was used to adsorb Cu2+ ion from the aqueous solutions. Adsorption behaviors and mechanism involved in were systematically explored and discussed. A better fitting result of adsorption isotherms of Cu2+ to ramie stalk was obtained from the Langmuir model. This suggested the surface of ramie stalk is rather homogeneous, which is supported by a better fitting result of the adsorption kinetic by using a pseudo‐first‐order kinetic model. Following surface complexation modeling suggested Cu2+ uptake is driven by water‐associated adsorption along with the precipitated CuO species. This is attributed to the low dissociation constant of ramie stalk and thus there was only around one quarter of sur‐ face adsorption sites participating Cu2+ uptake at acidic environment.
Simplified Bernoulli's method significantly underestimates pulmonary transvalvular pressure drop
Authors: Falahatpisheh Ahmad , Rickers Carsten , Gabbert Dominik , Heng Ee Ling , Stalder Aurelien , Kramer Hans‐Heiner , Kilner Philip J. , Kheradvar Arash 
Published: November 2015

PurposeTo determine whether neglecting the flow unsteadiness in simplified Bernoulli's equation significantly affects the pulmonary transvalvular pressure drop estimation.Materials and Methods3.0T magnetic resonance imaging (MRI) 4D velocity mapping was performed on four healthy volunteers, seven patients with repaired tetralogy of Fallot, and thirteen patients with transposition of the great arteries repaired by arterial switch. Pulmonary transvalvular pressure drop was estimated based on two methods: General Bernoulli's Equation (GBE), ie, the most complete form; and Simplified Bernoulli's Equation (SBE), known as 4V2. More than 2300 individual pressure drop measurements were used to compare the simplified and the general Bernoulli's methods. A linear mixed‐effects model was employed for statistical analyses, fully accounting for clustering of observations among the methods and systolic phases.ResultsThe simplified Bernoulli's method systematically underestimated the pressure drop compared to general Bernoulli's method during the entire systolic phase (P < 0.05), including the peak systole, where on average
.ConclusionThe simplified Bernoulli method underestimated the pressure drop during all systolic phases in all the studied subjects. Therefore, it is necessary to take into account the flow unsteadiness for more accurate estimation of the pressure drop. J. Magn. Reson. Imaging 2016;43:1313–1319.
Not if, but when we need resilience in the workplace
Authors: King Danielle D. , Newman Alexander , Luthans Fred 
Published: November 2015

SummaryWorkplace resilience is a necessity for organizations and employees given it assists them in overcoming adversity and ultimately succeeding. However, organizational scholars have largely overlooked this construct. In this Incubator, we briefly summarize extant research on workplace resilience to highlight opportunities for theory building and advancement of empirical research. Copyright © 2015 John Wiley & Sons, Ltd.
Diagnosing links between atmospheric moisture and extreme daily precipitation over the UK
Authors: Allan Richard P. , Lavers David A. , Champion Adrian J. 
Published: November 2015

ABSTRACTAtmospheric moisture characteristics associated with the heaviest 1% of daily rainfall events affecting regions of the British Isles are analysed over the period 1997–2008. A blended satellite/rain‐gauge data set (GPCP‐1DD) and regionally averaged daily rain‐gauge observations (HadUKP) are combined with the ERA Interim reanalysis. These are compared with simulations from the HadGEM2‐A climate model which applied observed sea surface temperature and realistic radiative forcings. Median extreme daily rainfall across the identified events and locations is larger for GPCP (32 mm day−1) than HadUKP and the simulations (∼25 mm day−1). The heaviest observed and simulated daily rainfall events are associated with increased specific humidity and horizontal transport of moisture (median 850 hPa specific humidity of ∼6 g kg−1 and vapour transport of ∼150 g kg− 1m s− 1 for both observed and simulated events). Extreme daily rainfall events are less common during spring and summer across much of the British Isles, but in the south east region, they contribute up to 60% of the total number of distinct extreme daily rainfall events during these months. Compared to winter events, the summer events over south east Britain are associated with a greater magnitude and more southerly location of moisture maxima and less spatially extensive regions of enhanced moisture transport. This contrasting dependence of extreme daily rainfall on moisture characteristics implies a range of driving mechanisms that depend upon location and season. Higher spatial and temporal resolution data are required to explore these processes further, which is vital in assessing future projected changes in rainfall and associated flooding.
Peritraumatic Distress Mediates the Effect of Severity of Disaster Exposure on Perinatal Depression: The Iowa Flood Study
Authors: Brock Rebecca L. , O'Hara Michael W. , Hart Kimberly J. , McCabe‐Beane Jennifer E. , Williamson J. Austin , Brunet Alain , Laplante David P. , Yu Chunbo , King Suzanne 
Published: November 2015

AbstractDisaster exposure during pregnancy has received limited attention. This study examined the impact of the 2008 Iowa Floods on perinatal maternal depression and well‐being, and the role of peritraumatic distress as a possible mechanism explaining this link. Perinatal women (N = 171) completed measures of depressive symptoms and general well‐being at 5 timepoints from pregnancy to 30 months postpartum. Objectively assessed prenatal flood exposure was associated with greater depression (r = .15). Further, flood‐related peritraumatic distress was uniquely associated with greater depression (r = .23), and was a key mechanism through which flood exposure led to depression. Prenatal flood exposure was also associated with general well‐being (r = .18); however, a mechanism other than peritraumatic distress appears to have been responsible for the effect of flood exposure on well‐being. We discuss the implications of these findings for informing etiological models and enhancing the efficacy of interventions for maternal psychopathology.
A new robust oxygen‐temperature sensor for aquatic eddy covariance measurements
Authors: Berg Peter , Koopmans Dirk J. , Huettel Markus , Li Hua , Mori Kosuke , Wüest Alfred 
Published: November 2015

AbstractThe fragility of thin Clark‐type glass microelectrodes used in aquatic eddy covariance measurements of benthic oxygen fluxes is a challenge when using this powerful technique. This study presents a new fast‐responding dual oxygen‐temperature sensor for eddy covariance measurements that is far more robust. Response time tests in the lab, where the sensor was inserted from air into water, revealed 90% response times of 0.51 s and 0.34 s for oxygen and temperature measurements, respectively. In wave tank tests, the new sensor showed no stirring sensitivity in contrast to Clark‐type microelectrodes. Other tests in a flume and in a particle‐free water tank revealed how close the sensor can be positioned to the measuring volume of the Acoustic Doppler Velocimeter without disturbing velocity recordings. In field tests at river sites, all > 24 h, the new sensor recorded high‐quality eddy covariance data for the entire deployment. Similar positive results were obtained in deployments at a marine site with unidirectional current flow overlaid with minor wave action. Concurrently deployed eddy covariance systems based on the new sensor and a traditional Clark‐type microelectrode revealed that they recorded statistically equivalent fluxes and similar velocity‐oxygen cospectra until the microelectrode broke after 2 h. The significant increase in robustness of the new sensor was achieved by relying on a larger sensor tip. This put some constrains on how the sensor should be deployed and fluxes extracted, but given the substantial gain in performance, it is a viable alternative for eddy covariance measurements in many aquatic environments.
Flavonoids as dopaminergic neuromodulators
Authors: Meireles Manuela , Moura Eduardo , Vieira‐Coelho Maria Augusta , Santos‐Buelga Celestino , Gonzalez‐Manzano Susana , Dueñas Montserrat , Mateus Nuno , Faria Ana , Calhau Conceição 
Published: November 2015

ScopeThe present study aimed to characterize and evaluate flavonoids effects on organic cation uptake in neuronal cells.Methods and resultsUptake experiments were conducted using radiolabeled methyl‐4‐phenylpyridinuim ([3H]‐MPP+), in human neuronal dopaminergic cells, SH‐SY5Y. Catechin did not alter [3H]‐MPP+ uptake, however its metabolite 4’‐methyl‐catechin decreased it by almost 50%. Epicatechin and its methylated metabolites also decreased [3H]‐MPP+ uptake. Interestingly, the quercetin flavonol and its metabolite conjugated with glucuronic acid, as well as the flavanones naringenin and hesperitin, increased [3H]‐MPP+ uptake.ConclusionThese results showed that different classes of flavonoids, as well as its metabolites, differently influence neuronal organic cation uptake. Several xeno‐ and endobiotics, including neurotransmitters, are organic cations. Specific food recommendations may be beneficial in pathological conditions where levels of neurotransmitters, as dopamine, are either increased or decreased.