bluuebunny/crossref_metadata_2025_split huggingface dataset:
An efficient sample size adaptation strategy with adjustment of randomization ratio
Authors: Wang Xin , Xu Tu , Zhong Sheng , Zhou Yijie , Cui Lu 
Published: January 2019

AbstractIn clinical trials, sample size reestimation is a useful strategy for mitigating the risk of uncertainty in design assumptions and ensuring sufficient power for the final analysis. In particular, sample size reestimation based on unblinded interim effect size can often lead to sample size increase, and statistical adjustment is usually needed for the final analysis to ensure that type I error rate is appropriately controlled. In current literature, sample size reestimation and corresponding type I error control are discussed in the context of maintaining the original randomization ratio across treatment groups, which we refer to as “proportional increase.” In practice, not all studies are designed based on an optimal randomization ratio due to practical reasons. In such cases, when sample size is to be increased, it is more efficient to allocate the additional subjects such that the randomization ratio is brought closer to an optimal ratio. In this research, we propose an adaptive randomization ratio change when sample size increase is warranted. We refer to this strategy as “nonproportional increase,” as the number of subjects increased in each treatment group is no longer proportional to the original randomization ratio. The proposed method boosts power not only through the increase of the sample size, but also via efficient allocation of the additional subjects. The control of type I error rate is shown analytically. Simulations are performed to illustrate the theoretical results.
A diffusion tensor imaging study of brain microstructural changes related to religion and spirituality in families at high risk for depression
Authors: Li Xuzhou , Weissman Myrna , Talati Ardesheer , Svob Connie , Wickramaratne Priya , Posner Jonathan , Xu Dongrong 
Published: January 2019

AbstractIntroductionPreviously in a three‐generation study of families at high risk for depression, we found that belief in the importance of religion/spirituality (R/S) was associated with thicker cortex in bilateral parietal and occipital regions. In the same sample using functional magnetic resonance imaging and electroencephalograph (EEG), we found that offspring at high familial risk had thinner cortices, increased default mode network connectivity, and reduced EEG power. These group differences were significantly diminished in offspring at high risk who reported high importance of R/S beliefs, suggesting a protective effect.MethodsThis study extends previous work examining brain microstructural differences associated with risk for major depressive disorder (MDD) and tests whether these are normalized in at‐risk offspring who report high importance of R/S beliefs. Diffusion tensor imaging (DTI) data were selected from 99 2nd and 3rd generation offspring of 1st generation depressed (high‐risk, HR) or nondepressed (low‐risk, LR) parents. Whole‐brain and region‐of‐interest analyses were performed, using ellipsoidal area ratio (EAR, an alternative diffusion anisotropy index comparable to fractional anisotropy). We examined microstructural differences associated with familial risk for depression within the groups of high and low importance of R/S beliefs (HI, LI).ResultsIn the LI group, HR individuals showed significantly decreased EAR in white matter regions neighboring the precuneus, superior parietal lobe, superior and middle frontal gyrus, and bilateral insula, supplementary motor area, and postcentral gyrus. In the HI group, HR individuals showed reduced EAR in white matter surrounding the left superior, and middle frontal gyrus, left superior parietal lobule, and right supplementary motor area. Microstructural differences associated with familial risk for depression in precuneus, frontal lobe, and temporal lobe were nonsignificant or less significant in the HI group.ConclusionR/S beliefs may affect microstructure in brain regions associated with R/S, potentially conferring resilience to depression among HR individuals.
Identification of Potent Caspase‐8 Inhibitors from a Library of Fluorescent Natural Products Screened by an AIEgen‐Based Light‐Up Probe
Authors: Lin Hao , Yang Wan‐Qi , Ye Zi , Zhang Chong‐Jing 
Published: January 2019

AbstractFluorescent natural products are a rich source of drugs and chemical probes, but their innate fluorescence can interfere with fluorescence‐based screening assays. Caspase‐8 is a key player in apoptosis, its inhibition having been found to be beneficial for treatment of inflammatory and neurodegenerative diseases. Small‐molecular inhibitors of caspase‐8 remain sparsely reported, however. In this study, we firstly developed a light‐up probe based on an AIEgen and capable of targeting caspase‐8. This fluorescent dye has a Stokes shift of 200 nm, which could allow the innate fluorescence signals of natural products to be avoided. On screening a library of 86 fluorescent natural products, we found for the first time that gossypol showed potent inhibition of caspase‐8 in vitro and in situ. This unique light‐up probe, coupled with colored natural products, could represent an efficient approach to hit discovery for druggable targets.
Dialectical behaviour therapy (DBT) for forensic psychiatric patients: An Italian pilot study
Authors: Bianchini Valeria , Cofini Vincenza , Curto Martina , Lagrotteria Brunella , Manzi Agostino , Navari Serena , Ortenzi Roberta , Paoletti Giovanna , Pompili Enrico , Pompili Pieritalo Maria , Silvestrini Cristiana , Nicolò Giuseppe 
Published: January 2019

AbstractBackgroundSeveral previous randomised controlled trials of dialectical behaviour therapy (DBT) since Linehan's original have shown that it has an advantage over standard care or other psychological treatments, but focus is usually on suicide‐related behaviours, and little is known about its effect with offender‐patients.AimsTo evaluate DBT with a group of offender‐patients in the Italian high intensity therapeutic facilities—the Residenze per l'Esecuzione delle Misure di Sicurezza (REMS), established under the Italian Law 81/2014.MethodsTwenty‐one male forensic psychiatric in‐patients with borderline personality disorder were enrolled and randomly assigned to 12 months of standard DBT together with all the usual REMS treatments (n = 10) or usual REMS treatments alone (n = 11). All participants completed the same pretreatment and posttreatment assessments, including the Barratt Impulsiveness Scale (BIS‐11), Difficulties in Emotion Regulation Scale (DERS), and Toronto Alexithymia Scale 20 (TAS‐20).ResultsMen receiving DBT showed a significantly greater reduction in motor impulsiveness, as measured by the BIS‐11, and emotional regulation, as reflected by the DERS total score, than the controls. There were no significant differences between groups in alexithymia scores.ConclusionsItaly has innovative forensic psychiatric facilities with a new recovery–rehabilitation approach, but the ambitious goals behind these cannot be achieved by pharmacology alone. For the first time in clinical forensic settings in Italy, there has been limited access to DBT. This small pilot study suggests this is likely to help ameliorate traits associated with violent and antisocial behaviours, so a full‐scale randomised controlled trial should follow.
Green Oxidation of n‐Octanol on Supported Nanogold Catalysts: Formation of Gold Active Sites under Combined Effect of Gold Content, Additive Nature and Redox Pretreatment
Authors: Pakrieva E. , Kolobova E. , Mamontov G. , Bogdanchikova N. , Farias M. H. , Pascual L. , Cortés Corberán V. , Martinez Gonzalez S. , Carabineiro S. A. C. , Pestryakov A. 
Published: January 2019

AbstractThe combined influence of gold content (0.5 or 4 wt. %), modifying additives (La or Ce oxides) and redox pretreatments (H2 or O2) on catalytic properties and formation of active sites of Au/TiO2 in the selective oxidation of n‐octanol under mild conditions was studied. Samples were characterized by BET, XRD, EDX, ICP, TEM, STEM‐HAADF, CO2‐TPD, H2‐TPR and XPS methods. The order of catalytic activity depended on the support nature for all treated samples, as follows: Au/La2O3/TiO2>Au/CeO2/TiO2>Au/TiO2. The catalytic activity enhanced with the increase of gold loading in the samples with hydrogen pretreatment, while after the oxidative pretreatment of the catalysts the opposite dependence of the activity with the gold content was found. This catalytic behavior was explained by a change in the surface concentration of monovalent gold ions, which seemed to be the active sites. The most active catalyst, 0.5 % Au/La2O3/TiO2, pretreated in oxidative atmosphere, had the highest surface concentration of monovalent gold ions.
Selective Conversion of Syngas to Aromatics over a Mo−ZrO2/H‐ZSM‐5 Bifunctional Catalyst
Authors: Zhou Wei , Shi Shulin , Wang Yang , Zhang Lei , Wang Yi , Zhang Guoquan , Min Xiaojian , Cheng Kang , Zhang Qinghong , Kang Jincan , Wang Ye 
Published: January 2019

AbstractDirect conversion of syngas to aromatics is an extremely challenging target due to the complex reaction pathways. Herein, we present a well‐designed bifunctional catalyst composed of Mo‐doped ZrO2nanoparticles and zeolite H‐ZSM‐5 for one‐step conversion of syngas to aromatics. The Mo−ZrO2converts syngas to methanol as reaction intermediate, which can be successively converted to aromatics by H‐ZSM‐5. Hydrogenation ability of mixed oxides is pivotal to both selectivity and productivity of aromatics. We intensively clarify the individual role of catalyst components among CO activation, H2activation and aromatization. With a Mo/Zr molar ratio of 1 : 68, the Mo−ZrO2/H‐ZSM‐5 resulted in 76 % selectivity of aromatics at 22 % CO conversion, and the productivity of aromatics reached 0.17 g gcat−1 h−1at 400 °C and 4 MPa. Moreover, the distribution of aromatics can be tuned by surface modification of H‐ZSM‐5.
Green Conversion of Microalgae into High‐Performance Sponge‐like Nitrogen‐Enriched Carbon
Authors: Liu Yingying , Dai Gongxin , Zhu Lingjun , Wang Shurong 
Published: January 2019

AbstractInvited for this month's cover picture is the group of Professor Shurong Wang from the State Key Laboratory of Clean Energy Utilization at Zhejiang University (China). The cover picture shows sponge‐like nitrogen‐containing carbon materials prepared by using a one‐step activation method from nitrogen‐rich microalgae biomass. Read the full text of the Article at 10.1002/celc.201801272.
HSPXY: A hybrid‐correlation and diversity‐distances based data partition method
Authors: Li Wenze , Fang Chao , Liu Jia , Cui Jingxia , Li Hongzhi , Gao Ting , Li Hui , Hu LiHong , Lu Yinghua 
Published: January 2019

AbstractA representative dataset is crucial to build a robust and generalized machine learning model, especially for small databases. Correlation is not usually considered in distance‐based set partition methods; therefore, distant yet correlated samples might be incorrectly assigned. An improved sample subset partition method based on joint hybrid correlation and diversity x‐y distances (HSPXY) is proposed in the framework of the sample set partition based on joint x‐y distances (SPXY). Therein, a hybrid distance consisting of both cosine angle distance and Euclidean distance in variable spaces cooperates the correlation of samples in the distance‐based set partition method. To compare with some existing partition methods, partial least squares (PLS) regression models are built on four set partition methods, random sampling (RS), Kennard‐Stone (KS), SPXY, and HSPXY. Upon the applications on small chemical databases, the proposed HSPXY algorithm‐based models achieved smaller root mean square errors and better coefficients of determination than other tested set partition methods, which indicates the training set is well represented. This suggests the proposed algorithm provides a new option to obtain a representative calibration set. Sample subset partition is widely considered in machine learning modeling. An improved sample subset partition method based on a hybrid correlation and diversity x‐y distance (HSPXY) is proposed in the framework of SPXY. Cosine angle distance and Euclidean distance in variable spaces are used to represent the correlation and diversity of samples, respectively. To explore the effectiveness of HSPXY, PLS models are built on four set partition methods, RS, KS, SPXY, and HSPXY. The models based on the proposed HSPXY algorithm carried the overall best result among all regression models, which suggests the proposed algorithm may be taken as an alternative to other existing data partition methods.
Unraveling the Fate of Lignin from Eucalyptus and Poplar during Integrated Delignification and Bleaching
Authors: Wang Hanmin , Wang Bing , Sun Dan , Shi Quentin , Zheng Lu , Wang Shuangfei , Liu Shijie , Xia Ruirui , Sun Runcang 
Published: January 2019

AbstractEfficient deconstruction of lignocellulose is vitally important for the biorefinery industry because lignin structures play a crucial role in the high value‐added conversion of lignin. In this study, an integrated process based on hydrothermal pretreatment (HTP) and Kraft delignification was proposed to deconstruct lignocellulosic biomass. It was found that the HTP not only facilitated the production of xylo‐oligosaccharides but also reduced the chemicals dosage of the following delignification. The structural characteristics of lignin obtained from the integrated process were investigated by NMR spectroscopy and gel‐permeation chromatography. Additionally, double enzymatic lignins (DELs) isolated from different feedstocks were used as “model lignin” to delineate the structural transformations of lignin during H2O2, ClO2, and O3 bleaching. Significant changes of the lignin structure were observed during the ClO2 bleaching process, including degradation of aromatic rings, enrichment in p‐hydroxyphenyl units, and increase of carboxylic groups. A comparison of the structural characteristics of the bleached lignins indicated that HTP benefited the subsequent bleaching process. Enhanced knowledge of lignin chemistry during deconstruction and delignification could provide valuable insight into the current lignocellulose biorefinery.
Asymmetry of an epicontinental basin—facies, cycles, tectonics and hydrodynamics: The Triassic Upper Muschelkalk, South Germanic Basin
Authors: Warnecke Matthias , Aigner Thomas 
Published: January 2019

AbstractThe Middle Triassic–Upper Muschelkalk deposits of central Europe form an excellent, “laboratory‐scale” outcrop analogue for subsurface hydrocarbon reservoirs in epeiric basins. This study provides a detailed sedimentological analysis at microfacies to basin‐wide scales within a well‐constrained biostratigraphic and sequence stratigraphic framework. The database comprises 31 outcrops and 27 drill cores in the southern part of the Triassic Germanic Basin, from Luxembourg, eastern France, northern Switzerland and southwestern Germany. The Upper Muschelkalk comprises 21 lithofacies types which are grouped into eight distinct lithofacies associations encompassing coastal sabkha, peritidal, backshoal, shoal, shoal fringe, foreshoal to offshoal environments. A 1D sequence stratigraphic framework was established on different cyclic scales ranging from depositional sequences, cycle sets, cycles to mini‐cycles. Regional 2D correlations based on 1D cycle analysis and biostratigraphic conodont/ceratite zonation reveal the temporal and spatial distribution of reservoir bodies and the morphological variance of 1D cycles across the carbonate ramp. A basin‐wide W–E ‘coast to coast’ cross‐section shows an asymmetric basin architecture with significant differences in facies distribution, cycle morphology, and consequently sizes of potential reservoir bodies. This distinct asymmetry is controlled by the palaeo‐tectonic setting (quiet versus more active) and the hydrodynamics (windward versus leeward, inflow of freshwater versus marine waters) which differs from coast to coast. Such asymmetric patterns will have to be considered in exploration scenarios of subsurface hydrocarbon‐bearing epeiric basins in the Middle East and elsewhere.
Feast not famine: Nitrogen pools recover rapidly in 25‐yr‐old postfire lodgepole pine
Authors: Turner Monica G. , Whitby Timothy G. , Romme William H. 
Published: January 2019

AbstractThe extent of young postfire conifer forests is growing throughout western North America as the frequency and size of high‐severity fires increase, making it important to understand ecosystem structure and function in early seral forests. Understanding nitrogen (N) dynamics during postfire stand development is especially important because northern conifers are often N limited. We resampled lodgepole pine (Pinus contortavar.latifolia) stands that regenerated naturally after the 1988 fires in Yellowstone National Park (Wyoming,USA) to ask (1) How have N pools and fluxes changed over a decade (15 to 25 yr postfire) of very rapid forest growth? (2) At postfire year 25, how do N pools and fluxes vary with lodgepole pine density and productivity? Lodgepole pine foliage, litter (annual litterfall, forest‐floor litter), and mineral soils were sampled in 14 plots (0.25 ha) that varied in postfire lodgepole pine density (1,500 to 344,000 stems/ha) and aboveground net primary production (ANPP; 1.4 to 16.1 Mg·ha−1·yr−1). Counter to expectation, foliar N concentrations in lodgepole pine current‐year and composite needles (1.33 and 1.11% N, respectively) had not changed over time. Further, all measured ecosystem N pools increased substantially: foliar N increased to 89 kg N/ha (+93%), O‐horizon N increased to 39 kg N/ha (+38%), and mineral soil percent total N (0–15 cm) increased to 0.08% (+33%). Inorganic N availability also increased to 0.69 μg N·[g resin]−1·d−1(+165%). Thus, soil N did not decline as live biomass N pools increased. Among stands, biomass N pools at postfire year 25 remained strongly influenced by early postfire tree density: foliar and litterfall N concentrations declined with lodgepole pine density andANPP, but the foliar N pool increased. Lodgepole pineANPPcorrelated negatively with annual resin‐sorbed N, and we found no indication of widespread N limitation. The large increases in N pools cannot be explained by atmospheric N deposition or presence of known N fixers. These results suggest an unmeasured N source and are consistent with recent reports of N fixation in young lodgepole pine.
Multi‐Scale Imaging of Polymer Electrolyte Fuel Cells using X‐ray Micro‐ and Nano‐Computed Tomography, Transmission Electron Microscopy and Helium‐Ion Microscopy
Authors: Meyer Q. , Hack J. , Mansor N. , Iacoviello F. , Bailey J. J. , Shearing P. R. , Brett D. J. L. 
Published: January 2019

AbstractMulti‐length scale imaging of polymer electrolyte fuel cell (PEFC) membrane electrode assembly (MEA) materials is a powerful tool for studying, understanding and furthering improvements in materials engineering, performance and durability. A hot pressed MEA has been imaged using X‐ray micro‐ and nano‐computed tomography (CT), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and recently developed helium‐ion microscopy (HeIM). X‐ray nano‐CT captures a volume containing all of the relevant fuel cell interfaces, from the carbon fiber of the gas diffusion layer (GDL) to the Nafion membrane with a field‐of‐view of 5 µm and a pixel size of 64 nm. Features identified include linear marks on the carbon fiber surface, agglomerates of carbon nanoparticles in the microporous layer (MPL), and intrusion of the catalyst layer material into the Nafion membrane during the hot‐pressing process. HeIM has enabled imaging of a large area of MEA from tens of micrometers to sub‐nanometers pixel resolution without any sample preparation, and has captured similar features to X‐ray micro‐CT and nano‐CT. Furthermore, at its highest resolution, the platinum and carbon catalyst nanoparticles can be distinguished at the surface of the catalyst layer, overcoming the limitations of SEM and TEM.
Differences in theta coherence between spatial and nonspatial attention using intracranial electroencephalographic signals in humans
Authors: Park Young Min , Park Jinsick , Baek Joon Hyun , Kim Sun I. , Kim In Young , Kang Joong Koo , Jang Dong Pyo 
Published: January 2019

AbstractA number of previous studies revealed the importance of the frontoparietal network for attention and preparatory top‐down control. Here, we investigated the theta (7–9 Hz) coherence of the right frontoparietal networks to explore the differences in connectivity changes for the right frontoparietal regions during spatial attention (i.e., attention to a specific location rather than a specific feature) and nonspatial attention (i.e., attention to a specific feature rather than a specific location) tasks. The theta coherence in both tasks was primarily maintained at a preparatory state, decreases after stimulus onset, and recovers to the level of the preparatory state after the response time. However, the theta coherence of the frontoparietal network during spatial attention was immediately maintained after cue‐onset, whereas for the case of nonspatial attention, it was immediately decreased after cue‐onset. In addition, the connectivity of the right frontoparietal network, including the middle frontal gyrus and superior parietal lobe, were significantly higher for spatial attention rather than for nonspatial attention, suggesting that the dorsal parts of right frontoparietal network are more engaged in spatial‐specific attention from the preparatory state. These findings also suggest that these two attention systems involve the use of different regional connectivity patterns, not only in the cognitive state, but in the preparatory state as well.
Computation of entropy generation in dissipative transient natural convective viscoelastic flow
Authors: Kumar Mahesh , Reddy G. Janardhana , Kiran G. Ravi , Aslam M. A. Mohammed , Beg O. Anwar 
Published: January 2019

AbstractEntropy generation is an important aspect of modern thermal polymer processing optimization. Many polymers exhibit strongly non‐Newtonian effects and dissipation effects in thermal processing. Motivated by these aspects in this study, a numerical analysis of the entropy generation with viscous dissipation effect in an unsteady flow of viscoelastic fluid from a vertical cylinder is presented. The Reiner‐Rivlin physical model of grade 2 (second‐grade fluid) is used, which can envisage normal stress variations in polymeric flow‐fields. Viscosity variation is included. The obtained governing equations are resolved using implicit finite difference method of Crank‐Nicolson type with well imposed initial and boundary conditions. Key control parameters are the second‐grade viscoelastic fluid parameter (), viscosity variation parameter (), and viscous dissipation parameter (). Also, group parameter (), Grashof number (Gr), and Prandtl number (Pr) are examined. Numerical solutions are presented for steady‐state flow variables, temperature, time histories of friction, wall heat transfer rate, entropy, and Bejan curves for distinct values of control parameters. The results specify that entropy generation decreases with augmenting values of , , and Gr. The converse trend is noticed with increasing Pr and . Furthermore, the computations reveal that entropy and Bejan lines only occur close to the hot cylinder wall.