bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigating power capping toward energy‐efficient scientific applications
Authors: Haidar Azzam , Jagode Heike , Vaccaro Phil , YarKhan Asim , Tomov Stanimire , Dongarra Jack 
Published: March 2018

SummaryThe emergence of power efficiency as a primary constraint in processor and system design poses new challenges concerning power and energy awareness for numerical libraries and scientific applications. Power consumption also plays a major role in the design of data centers, which may house petascale or exascale‐level computing systems. At these extreme scales, understanding and improving the energy efficiency of numerical libraries and their related applications becomes a crucial part of the successful implementation and operation of the computing system. In this paper, we study and investigate the practice of controlling a compute system's power usage, and we explore how different power caps affect the performance of numerical algorithms with different computational intensities. Further, we determine the impact, in terms of performance and energy usage, that these caps have on a system running scientific applications. This analysis will enable us to characterize the types of algorithms that benefit most from these power management schemes. Our experiments are performed using a set of representative kernels and several popular scientific benchmarks. We quantify a number of power and performance measurements and draw observations and conclusions that can be viewed as a roadmap to achieving energy efficiency in the design and execution of scientific algorithms.
Supramolecular Organization in Confined Nanospaces
Authors: Tabacchi Gloria 
Published: March 2018

AbstractEmpty spaces are abhorred by nature, which immediately rushes in to fill the void. Humans have learnt pretty well how to make ordered empty nanocontainers, and to get useful products out of them. When such an order is imparted to molecules, new properties may appear, often yielding advanced applications. This review illustrates how the organized void space inherently present in various materials: zeolites, clathrates, mesoporous silica/organosilica, and metal organic frameworks (MOF), for example, can be exploited to create confined, organized, and self‐assembled supramolecular structures of low dimensionality. Features of the confining matrices relevant to organization are presented with special focus on molecular‐level aspects. Selected examples of confined supramolecular assemblies – from small molecules to quantum dots or luminescent species – are aimed to show the complexity and potential of this approach. Natural confinement (minerals) and hyperconfinement (high pressure) provide further opportunities to understand and master the atomistic‐level interactions governing supramolecular organization under nanospace restrictions.
Wearable Platform for Real‐time Monitoring of Sodium in Sweat
Authors: McCaul Margaret , Porter Adam , Barrett Ruairi , White Paddy , Stroiescu Florien , Wallace Gordon , Diamond Dermot 
Published: March 2018

AbstractA fully integrated and wearable platform for harvesting and analysing sweat sodium concentration in real time during exercise has been developed and tested. The platform was largely produced using 3D printing, which greatly simplifies fabrication and operation compared to previous versions generated with traditional production techniques. The 3D printed platform doubles the capacity of the sample storage reservoir to about 1.3 ml, reduces the assembly time and provides simple and precise component alignment and contact of the integrated solid‐state ion‐selective and reference electrodes with the sorbent material. The sampling flowrate in the device can be controlled by introducing threads to enhance wicking of sweat from the skin, across the electrodes to the storage area. The platform was characterised in the lab and in exercise trials over a period of about 60 minutes continuous monitoring. Sweat sodium concentration was found to rise initially to approximately 17 mM and decline gradually over the period of the trial to about 11–12 mM.
Direct IR Spectroscopic Detection of a Low‐Lying Electronic State in a Metal Carbide Cluster
Authors: Chernyy Valeriy , Logemann Remko , Kirilyuk Andrei , Bakker Joost M. 
Published: March 2018

AbstractThe electronic structure of metal clusters is notoriously difficult to detect spectroscopically, due to rapid relaxation into the ground state following excitation. We have used IR multiple photon excitation to identify a low‐lying electronic state in a tantalum carbide cluster. The electronic excitation is found at 458 cm−1, and is confirmed by experiments on isotopically labeled clusters. Time‐dependent density functional theory (TD‐DFT) calculations confirm the current assignment, but a second predicted electronic state was not observed.
Photochemical Formation of Cyclobutane Pyrimidine Dimers in DNA through Electron Transfer from a Flanking Base
Authors: Lee Wook , Matsika Spiridoula 
Published: March 2018

AbstractElectron transfer (ET) to a pyrimidine base from external moieties is a common step involved in the quenching or repair of the cyclobutane pyrimidine dimer (CPD). In contrast, we present a pathway that is initiated by an ET from a flanking guanine base to a pyrimidine base, leading to the formation of a CPD. We studied a T5mCG sequence with a methylated cytosine and our results demonstrate that the pathway involves the formation of an exciplex and intersystem crossings. This pathway also provides an explanation for why the mutational hot spots are correlated with the methylated CpG sequences, which has been a significant issue in cancer research.
Electrolysis of Natural Waters Contaminated with Transition‐Metal Ions: Identification of A Metastable FePb‐Based Oxygen‐Evolution Catalyst Operating in Weakly Acidic Solutions
Authors: Bonke Shannon A. , Abel Ken L. , Hoogeveen Dijon A. , Chatti Manjunath , Gengenbach Thomas , Fournier Maxime , Spiccia Leone , Simonov Alexandr N. 
Published: March 2018

AbstractThe possibility of efficient water electrooxidation sustained by continuous (re)generation of catalysts derived from the oxidative electrodeposition of transition‐metal contaminants is examined herein for three natural water samples from Australia and China. The metal composition of the solutions has been determined by inductively coupled plasma optical emission spectrometry, and a range of strategies to produce water‐splitting catalysts by means of in situ electrodeposition have been applied. The performance of the resulting electrocatalysts is below the state‐of‐the‐art level owing to large amounts of impurities in the solutions and non‐optimal concentrations of naturally available catalyst precursors. Nevertheless, these studies have identified the FePb‐based system as a rare example of an electrocatalyst for water oxidation that forms in situ and maintains reasonable activity (≥4.5 mA cm−2 at an overpotential of 0.8 V) in weakly acidic solutions (pH 2.9).
Relevance of the Thought–Shape Fusion Trait Questionnaire for healthy women and women presenting symptoms of eating disorders and mixed mental disorders
Authors: Wyssen Andrea , Debbeler Luka J. , Meyer Andrea H. , Coelho Jennifer S. , Humbel Nadine , Schuck Kathrin , Lennertz Julia , Messerli‐Bürgy Nadine , Trier Stephan N. , Isenschmid Bettina , Milos Gabriella , Flury Hanspeter , Schneider Silvia , Munsch Simone 
Published: March 2018

Thought–shape fusion (TSF) describes the experience of marked concerns about body weight/shape, feelings of fatness, the perception of weight gain, and the impression of moral wrongdoing after thinking about eating fattening/forbidden foods. This study sets out to evaluate the short version of the TSF trait questionnaire (TSF).The sample consists of 315 healthy control women, 244 women with clinical and subthreshold eating disorders, and 113 women with mixed mental disorders (mixed). The factor structure of the TSF questionnaire was examined using exploratory and subsequent confirmatory factor analyses.The questionnaire distinguishes between a Concept scale and a Clinical Impact scale. However, a lack of measurement invariances refers to significant differences between groups in terms of factor loadings, thresholds, and residuals, which questions cross‐group validity.Results indicate that the concept is understood differently in the 3 groups and refers to the suitability of the questionnaire primarily for individuals presenting with symptoms of eating disorders.
Treatment course and its predictors in patients with somatoform disorders: A routine outcome monitoring study in secondary psychiatric care
Authors: Carlier I.V.E. , Andree Wiltens D.H. , van Rood Y.R. , van Veen T. , Dekker J. , van Hemert A.M. 
Published: March 2018

AimSomatoform disorders are common and often chronic. It would be helpful to distinguish those patients who are likely to have a positive treatment course from those who are likely to follow a negative course. Such studies of different somatoform disorders are scarce, especially in secondary psychiatric care. This study examined the 6‐month treatment course of psychological, physical symptoms, and functioning, and its predictors in a naturalistic sample of secondary psychiatric care outpatients with somatoform disorders.MethodThe present study used routine outcome monitoring data of patients with somatoform disorders regarding their 6‐month treatment course of psychological and physical symptoms as well as functioning. The following patient groups were included: total group of somatoform disorders (N = 435), and undifferentiated somatoform disorder (N = 242), pain disorder (N = 102), body dysmorphic disorder (N = 51), and hypochondriasis (N = 40). Measures were Mini‐International Neuropsychiatric Interview plus, Brief Symptom Inventory, Montgomery–Ǻsberg Depression Rating Scale, Brief Anxiety Scale, Short Form Health Survey 36, and Physical Symptom Checklist (PSC).ResultsThe study population generally showed high co‐morbidity, especially with anxiety and mood disorders. The PSC total score, body dysmorphic disorder, and hypochondriasis were significant predictors for the treatment course of symptoms (Brief Symptom Inventory), whereas the PSC total score was the only significant predictor for the course of functioning (Short Form Health Survey 36).ConclusionSecondary psychiatric care outpatients with somatoform disorders showed high co‐morbidity with anxiety and mood disorders, and an unfavourable 6‐month course of both symptoms and functioning. Clinical implications are discussed, such as additional treatment of co‐morbidity in somatoform disorders.
Ruthenium(II) Pincer Complex Bearing N′NN′‐ and ONO‐Type Ligands as a Titania Sensitizer for Efficient and Stable Visible‐Light‐Driven Hydrogen Production
Authors: Zhuang Chuangsheng , Wang Jinming , Zhou Shengyin , Peng Tianyou , Zhang Jing 
Published: March 2018

AbstractA ruthenium(II) pincer complex [Ru(N′NN′)(ONO)] bearing a pyridinyl‐based ligand (N′NN′=2,6‐bis(N‐benzyl‐benzimidazol‐2‐yl)pyridine) and a quinolinyl‐based ligand (ONO=2,6‐dihydroxyquiniline −2‐carboxylic) is used as a sensitizer of TiO2 nanoparticles for photocatalytic H2 production. Due to the π‐delocalized conjugation systems of pyridinyl‐based N′NN′ and quinolinyl‐based ONO ligands, the Ru(II) pincer complex on TiO2 nanoparticles is demonstrated as an effective sensitizer with suitable redox properties and broad visible‐light absorption, thus facilitating highly efficient and stable visible‐light‐driven H2 production. Under optimized photoreaction conditions, Ru(N′NN′)(ONO)/Pt‐TiO2 achieves an apparent quantum yield (AQY) of 27.3 % at 420 nm monochromatic light irradiation and a turnover number (TON) of 2166 h−1 under λ≥420 nm light irradiation. This work exhibits that Ru(II) pincer complexes may have promising application in dye‐sensitized semiconductors for extending the spectral response range, and provides some suggestions for designing new Ru(II) complexes to effectively promote solar energy conversion into chemical energy.
Relative quantification of beta‐adrenergic receptor in peripheral blood cells using flow cytometry
Authors: Saygin Didem , Wanner Nicholas , Rose Jonathan A. , Naga Prasad Sathyamangla V. , Tang W. H. Wilson , Erzurum Serpil , Asosingh Kewal 
Published: March 2018

AbstractBeta‐adrenergic receptors (β‐ARs) play a critical role in many diseases. Quantification of β‐AR density may have clinical implications in terms of assessing disease severity and identifying patients who could potentially benefit from beta‐blocker therapy. Classical methods for β‐AR quantification are based on labor‐intensive and time‐consuming radioligand binding assays. Here, we report optimization of a flow cytometry‐based method utilizing a biotinylated β‐AR ligand alprenolol as a probe and use of this method to quantify relative receptor expression in healthy controls (HC). Quantum™ MESF beads were used for quantification in absolute fluorescence units. The probe was chemically modified by adding a spacer moiety between biotin and alprenolol to stabilize receptor binding, thus preventing binding decay. Testing of three different standard cell fixation and permeabilization methods (formaldehyde fixation and saponin, Tween‐20, or Triton‐X 100 permeabilization) showed that the formaldehyde/Triton‐X 100 method yielded the best results. β‐AR expression was significantly higher in granulocytes compared to mononuclear cells. These data show that flow cytometric quantification of relative β‐AR expression in circulating leukocytes is a suitable technology for large‐scale clinical application. © 2018 International Society for Advancement of Cytometry
Development of an unbiased, semi‐automated approach for classifying plasma cell immunophenotype following multicolor flow cytometry of bone marrow aspirates
Authors: Post Steven R. , Post Ginell R. , Nikolic Dejan , Owens Rebecca , Insuasti‐Beltran Giovanni 
Published: March 2018

BackgroundDespite increased usage of multiparameter flow cytometry (MFC) to assess diagnosis, prognosis, and therapeutic efficacy (minimal residual disease, MRD) in plasma cell neoplasms (PCNs), standardization of methodology and data analysis is suboptimal. We investigated the utility of using the mean and median fluorescence intensities (FI) obtained from MFC to objectively describe parameters that distinguish plasma cell (PC) phenotypes.MethodsIn this retrospective study, flow cytometry results from bone marrow aspirate specimens from 570 patients referred to the Myeloma Institute at UAMS were evaluated. Mean and median FI data were obtained from 8‐color MFC of non‐neoplastic, malignant, and mixed PC populations using antibodies to CD38, CD138, CD19, CD20, CD27, CD45, CD56, and CD81.ResultsOf 570 cases, 252 cases showed only non‐neoplastic PCs, 168 showed only malignant PCs, and 150 showed mixed PC populations. Statistical analysis of median FI data for each CD marker showed no difference in expression intensity on non‐neoplastic and malignant PCs, between pure and mixed PC populations. ROC analysis of the median FI of CD expression in non‐neoplastic and malignant PCs was used to develop an algorithm to convert quantitative FI values to qualitative assessments including “negative,” “positive,” “dim,” and “heterogeneous” expression.ConclusionsFI data derived from 8‐color MFC can be used to define marker expression on PCs. Translation of FI data from Infinicyt software to an Excel worksheet streamlines workflow and eliminates transcriptional errors when generating flow reports. © 2018 International Clinical Cytometry Society
Ablation of cdk4 and cdk6 affects proliferation of basal progenitor cells in the developing dorsal and ventral forebrain
Authors: Grison Alice , Gaiser Carine , Bieder Andrea , Baranek Constanze , Atanasoski Suzana 
Published: March 2018

ABSTRACTLittle is known about the molecular players driving proliferation of neural progenitor cells (NPCs) during embryonic mouse development. Here, we demonstrate that proliferation of NPCs in the developing forebrain depends on a particular combination of cell cycle regulators. We have analyzed the requirements for members of the cyclin‐dependent kinase (cdk) family using cdk‐deficient mice. In the absence of either cdk4 or cdk6, which are both regulators of the G1 phase of the cell cycle, we found no significant effects on the proliferation rate of cortical progenitor cells. However, concomitant loss of cdk4 and cdk6 led to a drastic decrease in the proliferation rate of NPCs, specifically the basal progenitor cells of both the dorsal and ventral forebrain at embryonic day 13.5 (E13.5). Moreover, basal progenitors in the forebrain of Cdk4;Cdk6 double mutant mice exhibited altered cell cycle characteristics. Cdk4;cdk6 deficiency led to an increase in cell cycle length and cell cycle exit of mutant basal progenitor cells in comparison to controls. In contrast, concomitant ablation of cdk2 and cdk6 had no effect on the proliferation of NCPs. Together, our data demonstrate that the expansion of the basal progenitor pool in the developing telencephalon is dependent on the presence of distinct combinations of cdk molecules. Our results provide further evidence for differences in the regulation of proliferation between apical and basal progenitors during cortical development. © 2018 Wiley Periodicals, Inc. Develop Neurobiol 78: 660–670, 2018
Quantifying peat hydrodynamic properties and their influence on water table depths in peatlands of southern Quebec (Canada)
Authors: Bourgault Marc‐André , Larocque Marie , Garneau Michelle , Roux Marjolaine 
Published: March 2018

AbstractWater table depth in peatlands is strongly linked to physical properties of the peat, such as density (ρdry), peat composition and humification, hydraulic conductivity (K), and specific yield (Sy). Dry bulk density and peat depth are commonly used as indicators of K in ecohydrological models. However, no mathematical relationship exists to quantify Sy based on K and ρdry. As a result, ecohydrological models cannot explicitly reproduce the strong buffering capacity of peatlands. The objectives of this study were to analyse the literature‐reported mathematical link between all the physical properties to develop new mathematical relationships between these parameters and to evaluate whether variations in the physical properties of the peat control water table depth in peatlands. Seven peatlands located in the St. Lawrence Lowlands (Québec, Canada) were sampled, and 1 m long peat cores were collected from up‐gradient, mid‐gradient, and down‐gradient zones. All cores were used to measure ρdry, K, Sy, and to estimate peat composition and humification. Statistically significant correlations were found between (a) K and Sy (log–log model), (b) K and depth (log–log model), (c) Sy and depth (log–log model), (d) ρdry and Sy (log model), and (e) ρdry and K (log model). No significant difference was found in either K or Sy between sites. However, significant differences were found in water table depths. Because they provide a fuller description of the peat properties that control water table depths, these newly developed functions have the potential to improve the capacity of ecohydrological models to simulate time‐varying hydrological conditions.
Heart rate response and functional capacity in patients with chronic heart failure with preserved ejection fraction
Authors: Domínguez Eloy , Palau Patricia , Núñez Eduardo , Ramón José María , López Laura , Melero Joana , Bellver Alejandro , Santas Enrique , Chorro Francisco J. , Núñez Julio 
Published: March 2018

AbstractAimsThe mechanisms of exercise intolerance in heart failure with preserved ejection fraction (HFpEF) are not yet elucidated. Chronotropic incompetence has emerged as a potential mechanism. We aimed to evaluate whether heart rate (HR) response to exercise is associated to functional capacity in patients with symptomatic HFpEF.Methods and resultsWe prospectively studied 74 HFpEF patients [35.1% New York Heart Association Class III, 53% female, age (mean ± standard deviation) 72.5 ± 9.1 years, and 59.5% atrial fibrillation]. Functional performance was assessed by peak oxygen consumption (peak VO2). The mean (standard deviation) peak VO2 was 10 ± 2.8 mL/min/kg. The following chronotropic parameters were calculated: Delta‐HR (HR at peak exercise − HR at rest), chronotropic index (CI) = (HR at peak exercise − resting HR)/[(220 − age) − resting HR], and CI according to the equation developed by Keteyian et al. (CIK) (HR at peak exercise − HR at rest)/[119 + (HR at rest/2) − (age/2) − 5 − HR at rest]. In a bivariate setting, peak VO2 was positively and significantly correlated with Delta‐HR (r = 0.35, P = 0.003), CI (r = 0.27, P = 0.022), CIK (r = 0.28, P = 0.018), and borderline with HR at peak exercise (r = 0.22, P = 0.055). In a multivariable linear regression analysis that included clinical, analytical, echocardiographic, and functional capacity covariates, the chronotropic parameters were positively associated with peak VO2. We found a linear relationship between Delta‐HR and peak VO2 (β coefficient of 0.03; 95% confidence interval: 0.004–0.05; P = 0.030); conversely, the association among CIs and peak VO2 was exponentially shaped.ConclusionsIn patients with chronic HFpEF, the HR response to exercise was positively associated to patient's functional capacity.
Comparison of continuous‐flow ventricular assist device therapy with intensive medical therapy in fixed pulmonary hypertension secondary to advanced left heart failure
Authors: Kumarasinghe Gayathri , Jain Pankaj , Jabbour Andrew , Lai Jacqueline , Keogh Anne M. , Kotlyar Eugene , Jansz Paul , Macdonald Peter S. , Hayward Christopher S. 
Published: March 2018

AbstractAimsBoth ventricular assist device (VAD) and pulmonary vasodilator therapy have been shown in uncontrolled studies to improve pulmonary hypertension secondary to advanced left heart failure (Group 2 PH). This study aimed to compare haemodynamic benefits and survival in patients with fixed Group 2 PH treated with continuous‐flow VAD to intensive medical therapy.Methods and resultsNinety‐five patients listed for heart transplantation with sequential right heart catheters were studied, 24 patients having fixed Group 2 PH (as defined by cardiac index < 2.8 L/min/m2, pulmonary capillary wedge pressure > 15 mmHg, and transpulmonary gradient ≥ 15 mmHg or pulmonary vascular resistance > 3.0 WU, unresponsive to vasodilator challenge). Ten patients received VAD therapy, and 14 patients received standard heart failure therapy with or without sildenafil, nitrates, or endothelin receptor antagonists.At repeat right heart catheterization, patients treated with VAD therapy demonstrated significant improvement in both transpulmonary gradient (19 vs. 12 mmHg, P = 0.046) and pulmonary vascular resistance (6.5 vs. 2.9 WU, P = 0.003) compared with baseline, while those treated with medical therapy did not (20.9 vs. 20.3 mmHg and 6.5 vs. 6.4 WU, P = NS for both). Patients who received VAD therapy were significantly more likely to achieve normalized transpulmonary gradient (8/10 vs. 4/14, P = 0.013) and were more likely to be listed for orthotopic heart transplantation (7/10 vs. 4/14, P < 0.05). There were no significant differences between groups in terms of all‐cause mortality.ConclusionsContinuous‐flow VAD therapy more effectively reverses fixed Group 2 PH compared with medical therapy alone and may allow a higher rate of listing for orthotopic heart transplantation.