bluuebunny/crossref_metadata_2025_split huggingface dataset:
Comprehensive Exploration of Target‐specific Ligands Using a Graph Convolution Neural Network
Authors: Miyazaki Yu , Ono Naoaki , Huang Ming , Altaf‐Ul‐Amin Md. , Kanaya Shigehiko 
Published: December 2019

AbstractMachine learning approaches are widely used to evaluate ligand activities of chemical compounds toward potential target proteins. Especially, exploration of highly selective ligands is important for the development of new drugs with higher safety. One difficulty in constructing well‐performing model predicting such a ligand activity is the absence of data on true negative ligand‐protein interactions. In other words, in many cases we can access to plenty of information on ligands that bind to specific protein, but less or almost no information showing that compounds don't bind to proteins of interest. In this paper, we suggested an approach to comprehensively explore candidates for ligands specifically targeting toward proteins without using information on the true negative interaction. The approach consists of 4 steps: 1) constructing a model that distinguishes ligands for the target proteins of interest from those targeting proteins that cause off‐target effects, by using graph convolution neural network (GCNN); 2) extracting feature vectors after convolution/pooling processes and mapping their principal components in two dimensions; 3) specifying regions with higher density for two ligand groups through kernel density estimation; and 4) investigating the distribution of compounds for exploration on the density map using the same classifier and decomposer. If compounds for exploration are located in higher‐density regions of ligand compounds, these compounds can be regarded as having relatively high binding affinity to the major target or off‐target proteins compared with other compounds. We applied the approach to the exploration of ligands for β‐site amyloid precursor protein [APP]‐cleaving enzyme 1 (BACE1), a major target for Alzheimer Disease (AD), with less off‐target effect toward cathepsin D. We demonstrated that the density region of BACE1 and cathepsin D ligands are well‐divided, and a group of natural compounds as a target for exploration of new drug candidates also has significantly different distribution on the density map.
Improved reconstruction stability for chemical shift encoded hyperpolarized 13C magnetic resonance spectroscopic imaging using k‐t spiral acquisitions
Authors: Macdonald Erin B. , Barton Gregory P. , Cox Benjamin L. , Johnson Kevin M. , Strigel Roberta M. , Fain Sean B. 
Published: December 2019

PurposeA multiecho, field of view (FOV)‐oversampled k‐t spiral acquisition and direct iterative decomposition of water and fat with echo asymmetry and least‐squares estimation reconstruction is demonstrated to improve the stability of hyperpolarized 13C magnetic resonance spectroscopic imaging (MRSI) in the presence of signal ambiguities attributed to low‐SNR (signal‐to‐noise‐ratio) species, local uncertainties in metabolite peaks, and echo‐to‐echo signal inconsistencies.Theoryk‐t spiral acquisitions redistribute readout points to be more densely spaced radially in k‐space by acquiring an FOV and matrix that are oversampled by η. These more densely spaced spiral turns constitute effective intraspiral echoes and can supplement conventional interspiral echoes to improve spectral separation and reduce spectral cross‐talk to better resolve 13C‐labeled species for spectroscopic imaging.MethodsDigital simulations and imaging phantom experiments were performed for a range of interspiral echo spacings and η using multiecho, k‐t spiral acquisitions. Image spectral cross‐talk artifacts were evaluated both qualitatively and quantitatively as the percent error in measured metabolite ratios. In vivo murine experiments evaluated the feasibility of multiecho, k‐t spiral [1‐13C]pyruvate MRSI to reduce spectral cross‐talk for 3 scenarios of different expected reconstruction stability.ResultsDigital simulations and imaging phantom experiments both demonstrated reduced or comparable image spectral cross‐talk and percent errors in measured metabolite ratios with increasing η and better choices of echo spacings. In vivo images displayed markedly reduced spectral cross‐talk in lactate images acquired with η = 7 versus η = 1.ConclusionThe precision of hyperpolarized 13C metabolic imaging and quantification in the presence of low‐SNR species, local uncertainties in metabolite resonances, and echo‐to‐echo signal inconsistencies can be improved with the use of FOV‐oversampled k‐t spiral acquisitions.
Capacity choice game in a multiserver queue: Existence of a Nash equilibrium
Authors: Armony Mor , Roels Guillaume , Song Hummy 
Published: December 2019

AbstractIn many congestion‐prone services, front‐line employees have discretion over the rate at which they serve customers. To evaluate the impact of queue pooling on their decisions, we model the situation as a two‐server, single‐queue symmetric capacity choice game. Gopalakrishnan et al. (2016) characterize the existence of a Nash equilibrium in this game under a requirement on the servers' capacity cost functions, that is, where servers have limited discretion. Without that requirement and when servers are free to choose any service rate, the servers' cost function is ill‐behaved and standard tools for establishing the existence of an equilibrium cannot be applied. We consider a general power capacity cost function with no restriction on the servers' choice of capacity, and rely on a lesser‐known result, namely Tarski's intersection theorem, to establish the existence of a symmetric pure‐strategy Nash equilibrium. Comparing settings where queue stability is enforceable versus not, we show that there always exists a Nash equilibrium in the former case, unlike in the latter, and that some of the capacity choices that are equilibria in the former case are no longer equilibria in the latter. Our analysis highlights the criticality of the enforceability of system stability on equilibrium outcomes.
Knowledge, attitudes and practices in mental health of health professionals at the end of their curriculum in Burkina Faso: A pilot study
Authors: Sawadogo Konsam Cédric Christel , Lameyre Valérie , Gerard Daniel , Bruand Pierre‐Emile , Preux Pierre‐Marie 
Published: December 2019

AbstractAimTo study the knowledge, attitudes and practices regarding mental health amongst health professionals at the end of their curriculum in Burkina Faso.DesignA descriptive and cross‐sectional study was adopted.MethodsA simple random sampling was used to select 420 health students in Burkina Faso. Self‐administered questionnaires on sociodemographic profile, knowledge, attitudes and practices about mental health were distributed.ResultsThe response rate to the questionnaires was 93%. Our study sample included 391 students amongst whom 35% (138/391) were nurse students, 32% (125/391) medical students, 26% (100/391) midwife students and 7% (28/391) were pharmacy students. A quarter of our sample had completed an internship in psychiatry. Medical students’ average knowledge, attitudes and practices in mental health were significantly higher than that of other students. Medical students had more time dedicated to mental health lectures and more opportunities for a mental health internship, unlike nurse students.
Long‐term study of lisdexamfetamine dimesylate in Japanese children and adolescents with attention‐deficit/hyperactivity disorder
Authors: Ichikawa Hironobu , Miyajima Tasuku , Yamashita Yushiro , Fujiwara Masakazu , Fukushi Akimasa , Saito Kazuhiko 
Published: December 2019

AbstractAimsAs an extension of a phase 2/3 study evaluating the efficacy and safety of lisdexamfetamine dimesylate (LDX) 30, 50, or 70 mg/d for 4 weeks in Japanese patients aged 6‐17 years with attention‐deficit/hyperactivity disorder (ADHD), this study evaluated its long‐term safety and efficacy.MethodsThis was a multicenter, open‐label study of LDX for 53 weeks. Safety was assessed by regular medical examination for treatment‐emergent adverse events (TEAEs); regular recording of body weight, vital signs, and laboratory test values; and completion of dependence questionnaires. Efficacy was assessed using Japanese versions of the ADHD‐Rating Scale‐IV (ADHD‐RS‐IV) and Conners' 3rd edition Parent Rating Scale (Conners 3); plus Clinical Global Impression‐Improvement (CGI‐I), Clinical Global Impression‐Severity, and Parent Global Assessment (PGA) scales.ResultsOf 132 enrolled patients, 104 completed the trial. Most frequent treatment‐related TEAEs were decreased appetite (73.5%), initial insomnia (39.4%), and weight decrease (22.0%). Most TEAEs were mild (82.6% of patients). There were no serious or severe TEAEs or deaths. No treatment‐related TEAEs were associated with blood pressure or pulse rate, and no patient had a QTcF interval >500 ms. Statistically significant improvement from baseline to week 53 was observed in the mean ADHD‐Rating Scale‐IV total score and mean Conners 3 subscale scores. Most patients showed improvement on the CGI‐I (78%) and PGA (76.5%) scales.ConclusionsNo significant safety issues were observed with LDX 30, 50, or 70 mg/d administered for 1 year in Japanese children and adolescents with ADHD. LDX was associated with long‐term reductions in ADHD symptoms and severity.
Effect of nanoparticle type and content on morphology, rheology, and crystallinity of poly(lactic acid) using titanium dioxide and polyhedral oligomeric silsesquioxane nanoparticles
Authors: Rezaei Hamid , Seifi Sajad , Moeinifar Elham , Hejazi Iman , Seyfi Javad , Khonakdar Hossein Ali 
Published: December 2019

AbstractIn this study, under the same conditions, two different nanoparticles, namely, titanium dioxide (TiO2) and polyhedral oligomeric silsesquioxane (POSS) were added to the poly(lactic acid) (PLA) matrix via the solution casting technique. Morphological analysis showed that POSS had a better distribution within the PLA matrix. However, rheological analysis revealed the stronger influence of TiO2 on shear viscosity values, and a more notable viscosity upturn at moderate to high inclusions of TiO2 within the low shear rate zone. On the other hand, POSS was found to act as a lubricant even at a content of 3 wt% which was attributed to the very small dimensions of POSS. Such lubricating role, found from rheology, caused a boost in the crystallinity of PLA based on differential scanning calorimetry results. Moreover, it was found that TiO2 had an adverse effect on the crystallinity of PLA which was ascribed to the hindered motions of PLA chains upon addition of moderate to high inclusions of TiO2. The results of this study emphasize the crucial role of nanoparticle type and content on the properties of PLA.
Significant enhancement of thermal conductivity in graphite/polyester composite via interfacial π–π interaction
Authors: Chen Weilong , Wu Kun , Tan Zhiyou , Lu Mangeng 
Published: December 2019

AbstractInterfacial thermal resistance between matrix and filler is one of the most serious factors hindering heat transfer in composites. Here, a type of liquid crystalline polyester (LCP) containing phenyl pendant groups was intended to blend with pristine graphite by interfacial interaction. The intensity at 26.6° of the wide angle X‐ray diffraction pattern which exceeded that of pristine graphite indicated the existence of a strong interfacial π–π interaction. Both DSC and XRD tests showed that the ordered structure of the LCP matrix is directly affected by the mass fraction of graphite, indicating the interfacial interaction between LCP and graphite. By increasing the content of graphite, the thermal diffusivity showed a sharp increment by 1004%. The maximum thermal conductivity of the composite reached 28.613 W m−1 K−1, which was seven times that of traditional thermoplastic blended with graphite. Compared with the data calculated using effective medium theory, interfacial interaction plays a significant role in enhancing the thermal conductivity of the composites. Furthermore, the maximum tensile strength of this series of composites reached 13.3 MPa and the maximum Young's modulus reached 1067 MPa, exhibiting a potential guideline for further applications in flexible electronics. © 2019 Society of Chemical Industry
Defect engineering of p‐type silicon heterojunction solar cells fabricated using commercial‐grade low‐lifetime silicon wafers
Authors: Chen Daniel , Kim Moonyong , Shi Jianwei , Vicari Stefani Bruno , Yu Zhengshan (Jason) , Liu Shaoyang , Einhaus Roland , Wenham Stuart , Holman Zachary , Hallam Brett 
Published: December 2019

AbstractIn this work, we integrate defect engineering methods of gettering and hydrogenation into silicon heterojunction solar cells fabricated using low‐lifetime commercial‐grade p‐type Czochralski‐grown monocrystalline and high‐performance multicrystalline wafers. We independently assess the impact of gettering on the removal of bulk impurities such as iron as well as the impact of hydrogenation on the passivation of grain boundaries and B‐O defects. Furthermore, we report for the first time the susceptibility of heterojunction devices to light‐ and elevated temperature–induced degradation and investigate the onset of such degradation during device fabrication. Lastly, we demonstrate solar cells with independently verified 1‐sun open‐circuit voltages of 707 and 702 mV on monocrystalline and multicrystalline silicon wafers, respectively, with a starting bulk minority‐carrier lifetime below 40 microseconds. These remarkably high open‐circuit voltages reveal the potential of inexpensive low‐lifetime p‐type silicon wafers for making devices with efficiencies without needing to shift towards n‐type substrates.
Coping and psychopathology in children with malignancy and bronchiectasis
Authors: Bikmazer Alperen , Orengul Abdurrahman Cahid , Buyukdeniz Ayşe , Okur Fatma Visal , Gokdemir Yasemin ,  Perdahli Fis Nese 
Published: December 2019

AbstractAimWe aimed to evaluate the coping styles and social support perceived by the children with two different chronic diseases (cancer and bronchiectasis), their mothers’ coping styles and compare them with a control group without any chronic physical or psychiatric disorder.MethodsOur sample consisted of 114 children and adolescents, with an age range from 9 to 15 years. The data were collected by using schedule for affective disorders and schizophrenia for school‐age children‐present and lifetime version, kid‐coping orientation to problems experienced (Kid‐COPE), social support appraisals scale (SSAS), and COPE.ResultsAll three groups were similar with respect to age and sex distribution. Around 50% to 60% of the children in both patient groups had a psychiatric diagnosis. Remarkably, 30% of the children had an internalizing disorder. The most commonly used coping style by the mothers was religious coping in all groups. Kid‐COPE scores did not significantly differ between groups. The scores on Family and Friend subscales of SSAS in the bronchiectasis group were significantly lower when compared with those of participants in hematology‐oncology and control groups.ConclusionChronic medical illnesses may have a similar psychological impact on children regardless of disease‐specific clinical presentations and outcomes. Future studies need to focus on identifying protective and risk factors that potentially mediate psychosocial well‐being.
Shock to Detonation Transition of Plastic Bonded Aluminized Explosives
Authors: Elia Thomas , Baudin Gérard , Genetier Marc , Lefrançois Alexandre , Osmont Antoine , Catoire Laurent 
Published: December 2019

AbstractAluminum particles are usually added to plastic bonded explosives (PBX) in order to increase blast efficiency thanks to their post‐combustion with detonation products and air. These particles modify the shock to detonation (SDT) process of PBX. Their role has not been well understood. That is why, in this paper we proposed a review of the main hypotheses concerning aluminum particles effects on SDT. The main issue of thermal and mechanical equilibrium is discussed with the estimation of their impact on the Euler equations. This study also sums up the experimental data registered on RDX and HMX aluminized explosives. A comparison with a reference PBX is proposed and a new light on the mechanism of shock to detonation transition is given.
Neck pain associated with clinical symptoms in dizzy patients—A cross‐sectional study
Authors: Knapstad Mari Kalland , Nordahl Stein Helge Glad , Skouen Jan Sture , Ask Tove , Goplen Frederik Kragerud 
Published: December 2019

AbstractObjectiveMany patients suffer from concurrent neck pain and dizziness. The aim of this study was to describe the clinical symptoms and physical findings in patients with concurrent neck pain and dizziness and to examine whether they differ from patients with dizziness alone.MethodsConsecutive patients with dizziness and neck pain were recruited from an ear–nose–throat department and a spine clinic. They were divided into three groups: patients with dizziness only (n = 100), patients with dizziness as their primary complaint and additional neck pain (n = 138) and finally, patients with neck pain as their primary complaint accompanied by additional dizziness (n = 55). The patients filled in questionnaires regarding their symptom quality, time‐course, triggers of dizziness and the Vertigo Symptom Scale Short Form. The physical examination included Cervical Range of Motion, American College of Rheumatology (ACR) Tender Points, Cervical Pressure Pain Thresholds and Global Physiotherapy Examination 52‐Flexibility.ResultsBoth neck pain groups were more likely to have a gradual onset of dizziness symptoms, more light‐headedness, visual disturbances, autonomic/anxiety symptoms, decreased cervical range of motion, decreased neck and shoulder flexibility and increased number of ACR tender points compared with patients with dizziness alone. The group having dizziness as their primary complaint and also reporting neck pain had the highest symptom severity and tended to report rocking vertigo and increased neck tenderness. The group with neck pain as their primary complaint was more likely to report headache.ConclusionNeck pain is associated with certain dizziness characteristics, increased severity of dizziness and increased physical impairment when compared with dizzy patients without neck pain.
A particle‐filter based adaptive inflation scheme for the ensemble Kalman filter
Authors: Ait‐El‐Fquih Boujemaa , Hoteit Ibrahim 
Published: December 2019

AbstractAn adaptive covariance inflation scheme is proposed for the ensemble Kalman filter (EnKF) to mitigate the loss of ensemble variance. Adaptive inflation methods are mostly based on a Bayesian approach, which considers the inflation factor as a random variable with a given prior probability distribution and then combines it with the inflation likelihood through Bayes' rule to obtain its posterior distribution. In this work, we introduce a numerical implementation of this generic Bayesian approach that uses a particle filter (PF) to compute a Monte Carlo approximation of the inflation posterior distribution. To alleviate the sample attrition issue, the proposed PF employs an artificial dynamical model for the inflation factor based on the well‐known smoothing‐kernel West and Liu model. The positivity constraint on the inflation factor is further imposed through an inverse‐Gamma transition density, with parameters that suggest analytical expressions. The resulting PF–EnKF scheme is straightforward to implement, and can use different numbers of particles in its EnKF and PF components. Numerical experiments are conducted with the Lorenz‐96 model to demonstrate the effectiveness of the proposed method under various experimental scenarios.
Effects of different constants and standards on the reproducibility of carbonate clumped isotope (Δ47) measurements: Insights from a long‐term dataset
Authors: Chang Biao , Defliese William F. , Li Chao , Huang Junhua , Tripati Aradhna , Algeo Thomas J. 
Published: December 2019

RationaleCarbonate clumped isotope (Δ47) thermometry examines the temperature‐dependent excess abundance of the 13C–18O bond in the carbonate lattice. Inconsistent temperature calibrations and standard values have been reported among laboratories, which has led to the use of equilibrated gases and carbonate standards for standardization. Furthermore, different acid fractionation factors and isotopic parameter sets have been proposed for improving inter‐laboratory data comparability. However, few long‐term datasets have been generated to explore the effects of these factors on the long‐term reproducibility of Δ47 data within a laboratory.MethodsFour standards (ISTB‐1, NBS‐19, GBWO4416, and GB04417) were analyzed as unknowns by isotope ratio mass spectrometry from 2015 to 2019. The values of Δ47 were calibrated using the ETH standards. We investigated the Assonov, Brand, and Gonfiantini isotope parameter sets for carbon and oxygen isotopes, as well as two correction schemes of equilibrated gas and carbonate standardization, using the same sample measurements to determine which procedures enhanced reproducibility. ISTB‐1 (calcite) and ZK312‐346W (dolomite) were measured to determine the 90°C acid fractionation factor.ResultsThe corrected 90°C acid fractionation factors are 0.076 ± 0.008‰ for ISTB‐1 and 0.077 ± 0.009‰ for ZK312‐346W. The choice of isotope parameter set had no significant influence on final Δ47 values in this study. However, using the Assonov parameters to calculate Δ47 values improved the reproducibility of the results. The use of carbonate standards improved reproducibility through time compared with the use of equilibrated gases for standardization.ConclusionsAt 90°C, the acid fractionation factors of calcite and dolomite are statistically indistinguishable. We find an insignificant effect from changing the isotope parameter set, suggesting that the choice of isotope parameter set among laboratories is not a major factor affecting inter‐laboratory reproducibility. We find that using carbonate standards improved the reproducibility of results, suggesting that the use of carbonate standards may help to achieve inter‐laboratory comparability of results in future studies.
Whom should a leader imitate? Using rivalry‐based imitation to manage strategic risk in changing environments
Authors: Sharapov Dmitry , Ross Jan‐Michael 
Published: December 2019

AbstractResearch SummaryWe study the performance implications of dynamic environments for a leader's rivalry‐based imitation efforts in a setting with multiple rivals. We disentangle competitive interactions from environmental changes to show that a leader's simple rules to either imitate the closest rival in terms of attributes (her neighbor) or the closest rival in terms of rank (her challenger) can help to maintain the performance gap to her competitors. Using a computational model and an empirical test, we find that environmental changes alter the trade‐offs between imitation accuracy and the responsiveness to threats from distant rivals. Consequently, when environmental changes are infrequent and minor, neighbor imitation is more effective in maintaining the lead, whereas challenger imitation prevails as environmental changes become more frequent and substantial.Managerial SummaryBy showing that imitating a lower‐ranked rival can help a leader to stay ahead, recent research has overturned the common thinking that imitation is only useful for those trying to catch up with the leader. However, these insights come from contexts in which the leader has only one competitor. Can imitation also be effective for a leader competing against multiple rivals, and whom should the leader imitate? We find that imitation can indeed help the leader to maintain their lead against multiple rivals, but that the choice of imitation target matters and should take the competitive environment into account. In relatively stable environments, imitating your most similar rival works best, while imitating whoever is in second place is a more effective approach in changeable environments.