bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Comparative Study of in vitro Assays for Predicting the Nonspecific Binding of PET Imaging Agents in vivo
Authors: Gobbi Luca , Mercier Joël , Bang‐Andersen Benny , Nicolas Jean‐Marie , Reilly John , Wagner Björn , Whitehead David , Briard Emmanuelle , Maguire R. Paul , Borroni Edilio , Auberson Yves P. 
Published: December 2019

AbstractNonspecific binding (NSB) is a key parameter in optimizing PET imaging tracers. We compared the ability to predict NSB of three available methods: LIMBA, rat fu,brain, and CHI(IAM). Even though NSB is often associated with lipophilicity, we observed that logD does not correlate with any of these assays, clearly indicating that lipophilicity, while influencing NSB, is insufficient to predict it. A cross‐comparison of the methods showed that all three correlate and are useful predictors of NSB. The three assays, however, rank the molecules slightly differently, illustrating the challenge of comparing molecules within a narrow chemical space. We also noted that CHI(IAM) values more effectively predict VNS, a measure of in vivo NSB in the human brain. CHI(IAM) measurements might be a closer model of the actual physicochemical interaction between PET tracer candidates and cell membranes, and seems to be the method of choice for the optimization of in vivo NSB.
Pyrazolones Activate the Proteasome by Gating Mechanisms and Protect Neuronal Cells from β‐Amyloid Toxicity
Authors: Santoro Anna Maria , Lanza Valeria , Bellia Francesco , Sbardella Diego , Tundo Grazia R. , Cannizzo Alessandra , Grasso Giuseppe , Arizzi Mariaconcetta , Nicoletti Vincenzo G. , Alcaro Stefano , Costa Giosuè , Pietropaolo Adriana , Malgieri Gaetano , D'Abrosca Gianluca , Fattorusso Roberto , García‐Viñuales Sara , Ahmed Ikhlas M. M. , Coletta Massimiliano , Milardi Danilo 
Published: December 2019

AbstractProteasome malfunction parallels abnormal amyloid accumulation in Alzheimer's Disease (AD). Here we scrutinize a small library of pyrazolones by assaying their ability to enhance proteasome activity and protect neuronal cells from amyloid toxicity. Tube tests evidenced that aminopyrine and nifenazone behave as 20S proteasome activators. Enzyme assays carried out on an “open gate” mutant (α3ΔN) proteasome demonstrated that aminopyrine activates proteasome through binding the α‐ring surfaces and influencing gating dynamics. Docking studies coupled with STD‐NMR experiments showed that H‐bonds and π‐π stacking interactions between pyrazolones and the enzyme play a key role in bridging α1 to α2 and, alternatively, α5 to α6 subunits of the outer α‐ring. Aminopyrine and nifenazone exhibit neurotrophic properties and protect differentiated human neuroblastoma SH‐SY5Y cells from β‐amyloid (Aβ) toxicity. ESI‐MS studies confirmed that aminopyrine enhances Aβ degradation by proteasome in a dose‐dependent manner. Our results suggest that some pyrazolones and, in particular, aminopyrine are promising compounds for the development of proteasome activators for AD treatment.
Xevolver: A code transformation framework for separation of system‐awareness from application codes
Authors: Komatsu Kazuhiko , Gomi Ayumu , Egawa Ryusuke , Takahashi Daisuke , Suda Reiji , Takizawa Hiroyuki 
Published: December 2019

SummaryThis paper introduces the Xevolver code transformation framework to separate system‐aware code optimizations from HPC application codes. System‐aware code optimizations often make it difficult for programmers to maintain HPC application codes. On the other side, system‐aware code optimizations are mandatory to exploit the performance of target HPC systems. To achieve both high maintainability and high performance, the Xevolver framework provides an easy way to express system‐aware code optimizations as user‐defined code transformation rules. Those rules can be defined separately from HPC application codes. As a result, an HPC application code is converted into its optimized version for a particular target system just before the compilation, and standard HPC programmers do not usually need to maintain the optimized version that could be complicated and difficult‐to‐maintain. In this paper, three important components of the Xevolver framework are described, and then their practicality and benefits are demonstrated through six case studies. Accordingly, the user‐defined code transformation approach behind the Xevolver framework is promising to express system‐awareness for extracting the performance of an HPC system, and also for sharing expert knowledge and experiences about code optimizations. As the complexity and diversity of HPC system architectures are increasing in an extreme‐scale computing era, system‐aware code optimization without overcomplicating the code as discussed in this paper will become more and more important in the future.
Self‐Assembled Graphene/MWCNT Bilayers as Platinum‐Free Counter Electrode in Dye‐Sensitized Solar Cells
Authors: Wahyuono Ruri Agung , Jia Guobin , Plentz Jonathan , Dellith Andrea , Dellith Jan , Herrmann‐Westendorf Felix , Seyring Martin , Presselt Martin , Andrä Gudrun , Rettenmayr Markus , Dietzek Benjamin 
Published: December 2019

AbstractWe describe the preparation and properties of bilayers of graphene‐ and multi‐walled carbon nanotubes (MWCNTs) as an alternative to conventionally used platinum‐based counter electrode for dye‐sensitized solar cells (DSSC). The counter electrodes were prepared by a simple and easy‐to‐implement double self‐assembly process. The preparation allows for controlling the surface roughness of electrode in a layer‐by‐layer deposition. Annealing under N2 atmosphere improves the electrode's conductivity and the catalytic activity of graphene and MWCNTs to reduce the I3− species within the electrolyte of the DSSC. The performance of different counter‐electrodes is compared for ZnO photoanode‐based DSSCs. Bilayer electrodes show higher power conversion efficiencies than monolayer graphene electrodes or monolayer MWCNTs electrodes. The bilayer graphene (bottom)/MWCNTs (top) counter electrode‐based DSSC exhibits a maximum power conversion efficiency of 4.1 % exceeding the efficiency of a reference DSSC with a thin film platinum counter electrode (efficiency of 3.4 %). In addition, the double self‐assembled counter electrodes are mechanically stable, which enables their recycling for DSSCs fabrication without significant loss of the solar cell performance.
Emerging role of primary heterogeneous nucleation in pharmaceutical crystallization
Authors: Thakore Samarth D. , Sood Aaruti , Bansal Arvind K. 
Published: December 2019

AbstractCrystallization is an important and difficult to control unit operation in the pharmaceutical industry. Crystallization can control molecular (i.e., polymorphism) and particulate (i.e., particle size and crystal habit) properties of active pharmaceutical ingredient (API). Moreover, these molecular and particulate properties govern the manufacturability, stability, and biopharmaceutical performance of the API and drug product. Nucleation is a key step and primary heterogeneous nucleation is a common mode of nucleation during crystallization. Hence, it is important to understand the parameters affecting primary heterogeneous nucleation, to achieve desirable properties in crystalline APIs. Primary heterogeneous crystallization has usually been linked to the surface characteristics like topography and functionality of the heteronucleant. The review outlines recent findings in the primary heterogeneous crystallization with specific emphasis on its pharmaceutical applications including regulatory considerations. Molecular‐level mechanisms governing heteronucleation and subsequent outcome in terms of molecular as well as particulate‐level properties of API have also been discussed. Moreover, general guidance for the selection of heteronucleant has also been included. Heterogeneous crystallization is a promising tool for efficient crystallization of API having properties for optimal pharmaceutical performance.
Serial heart rate measurement and mortality after acute heart failure
Authors: Ancion Arnaud , Tridetti Julien , Nguyen Trung Mai‐Linh , Oury Cécile , Lancellotti Patrizio 
Published: December 2019

AbstractAimHeart failure (HF) poses a unique medical burden of high morbidity and mortality. Elevated resting heart rate (HR) is associated with worse outcomes in chronic HF, but little is known about the prognostic impact of serial HR measurement during hospital stay after acute HF. We examined the association between HR obtained at admission at Day 4 and at discharge and long‐term mortality in a cohort of 672 patients discharge from hospital after management of acute HF.Methods and resultsAll patients examined were in sinus rhythm. HR was derived from electrocardiogram and was defined as the first reported HR in the medical record. At 1 year follow up, 60 patients died. Median HR was 86 ± 17 b.p.m. (first tertile: 75 b.p.m., third tertile: 97 b.p.m.) at admission, 76 ± 14 b.p.m. (first tertile: 67 b.p.m., third tertile 85 b.p.m.) at Day 4, and 72 ± 11 b.p.m. (first tertile: 64 b.p.m., third tertile 80 b.p.m.) at discharge. Patients who died were significantly older (75 ± 11 vs. 71 ± 12 years; P = 0.027), had more frequently a history of ischemic cardiomyopathy (n = 34/60, P = 0.012) and of chronic obstructive pulmonary disease (n = 26/60, P = 0.027), had higher admission N terminal pro brain natriuretic peptide (14 572 ± 21 600 vs. 7647 ± 7964 pg/ml; P = 0.027), had lower systolic and diastolic blood pressures (P < 0.05), haemoglobin level (10.6 ± 2.2 vs. 12.2 ± 2.2 g/L; P = 0.005), albumin level (35.2 ± 4.3 vs 37.1 ± 4.1 g/dl; P = 0.003) and estimated glomerular filtration rate (47 ± 21 vs. 60 ± 28 ml/min/1.73 m2; P = 0.0017). There were no significant differences between survivors and nonsurvivors in left ventricular ejection, the use of beta‐blocker and angiotensin‐converting enzyme‐inhibitor, and the rate of comorbidities (hypertension, diabetes) (P=NS, for all). HR at admission was not significantly associated with 1 year mortality (P = 0.20), whereas there was a significant increase in 1 year mortality for HRs>85 b.p.m. at Day 4 (P < 0.0001) and > 80 b.p.m. at discharge (P < 0.0001). In the multivariable model that included the third tertile at Day 4 and discharge HR and adjusted for all other significant covariates, haemoglobin (P = 0.019), and HR at Day 4 (P = 0.023) were independently associated with 1 year mortality. When only discharge HR was included haemoglobin (P = 0.0004) and HR at discharge (P = 0.00053) remained independently associated with 1 year mortality.ConclusionsIn patients surviving the acute HF phase, a high HR at Day 4, and at a lesser degree at discharge, but not at admission, is a strong predictor of 1 year mortality.
All the small things: How virus‐like particles and liposomes modulate allergic immune responses
Authors: Kratzer Bernhard , Hofer Sandra , Zabel Maja , Pickl Winfried F. 
Published: December 2019

AbstractRecent years have seen a dramatic increase in the range of applications of virus‐like nanoparticle (VNP)‐ and liposome‐based antigen delivery systems for the treatment of allergies. These platforms rely on a growing number of inert virus‐backbones or distinct lipid formulations and intend to engage the host's innate and/or adaptive immune system by virtue of their co‐delivered immunogens. Due to their particulate nature, VNP and liposomal preparations are also capable of breaking tolerance against endogenous cytokines, Igs, and their receptors, allowing for the facile induction of anti‐cytokine, anti‐IgE, or anti‐FcεR antibodies in the host. We here discuss the “pros and cons” of inducing such neutralizing autoantibodies. Moreover, we cover another major theme of the last years, i.e., the engineering of non‐anaphylactogenic particles and the elucidation of the parameters relevant for the specific trafficking and processing of such particles in vivo. Finally, we put the various technical advances in VNP‐ and liposome‐research into (pre‐)clinical context by referring and critically discussing the relevant studies performed to treat allergic diseases.
Simulating combined SO2 and CO2 capture from combustion flue gas
Authors: Cousins Ashleigh , Pearson Pauline , Puxty Graeme , Jiang Kaiqi , Garg Bharti , Zhai Rongrong , Ott Pedro , Verheyen Vince , Feron Paul H. M. 
Published: December 2019

AbstractThe requirement to pre‐treat flue gas prior to the CO2 capture step is an economic challenge when using aqueous amine absorbents for capturing CO2 from coal‐fired power station flue gases. A potentially lower cost alternative is to combine the capture of both CO2 and SO2 from the flue gas into a single process, removing the requirement for the desulfurization pre‐treatment step. The CSIRO's CS‐Cap process uses a single aqueous amine absorbent to capture both of these acid gases from flue gas streams. This paper covers the initial simulation of this process applied to both brown and black coal flue gases. Removal of absorbed SO2 is achieved via reactive crystallization. This is simulated here using a ‘black box’ process, resulting in a K2SO4 product. Different operating conditions have been evaluated that increase the sulfate concentration of the absorbent in the SO2 capture section of the process, which is expected to increase the efficiency of the reactive crystallization step. This paper provides information on the absorption of SO2 into the amine solution, and heat and mass balances for the wider process. This information will be required for further detailed simulation of the reactive crystallization step, and economic evaluation of the CS‐Cap process. © 2019 Society of Chemical Industry and John Wiley & Sons, Ltd.
Microglial cell‐derived interleukin‐6 influences behavior and inflammatory response in the brain following traumatic brain injury
Authors: Sanchis Paula , Fernández‐Gayol Olaya , Vizueta Joel , Comes Gemma , Canal Carla , Escrig Anna , Molinero Amalia , Giralt Mercedes , Hidalgo Juan 
Published: December 2019

AbstractTraumatic brain injury (TBI) is a major health problem with high rates of mortality and morbidity worldwide. The response of the brain to TBI is orchestrated by a number of cytokines, including interleukin‐6 (IL‐6). IL‐6 is a major cytokine in the central nervous system and it is produced by different cells, such as neurons, glial cells, and endothelial cells. Since glial cells are one of the most important sources and targets of IL‐6, we have examined the role of microglia‐derived IL‐6 in normal conditions and following a model of TBI, cryolesion of the somatosensorial cortex. To this end, tamoxifen‐inducible microglial IL‐6‐deficient (Il6ΔMic, using Cx3cr1
CreER model) mice and control (Il6lox/lox) mice were used. In normal conditions, microglial IL‐6 deficiency reduced deambulation and exploratory behavior and decreased anxiety in a sex‐dependent manner. The transcriptome profile following cryolesion was dramatically altered 1 day post‐lesion in Il6ΔMic compared with Il6lox/lox mice. However, the phenotype of Il6ΔMic mice was less compromised in the following days, suggesting that compensatory mechanisms are at play.
Doctors' response to queues: Evidence from a Portuguese emergency department
Authors: Martins Bruno , Filipe Luís 
Published: December 2019

AbstractWe evaluate how doctors in an emergency department react to the number of patients waiting for treatment. Our outcomes reflect the time spent with the patient, the intensity of treatment, and discharge destination. Using visit‐level data in a Lisbon‐area hospital, we use a fixed effects model to exploit variation in the queue size while addressing endogeneity using the number of arrivals to the hospital in the previous 60 min as an instrumental variable. Furthermore, we estimate doctors' reactions separately for patients with different degrees of urgency, as measured by the Manchester triage system. Results show that doctors discharge patients more rapidly as queues become longer, and this effect is stronger for patients that do not have life‐threatening conditions. We also find that the intensity of diagnosis/treatment procedures decreases when patients face longer queues, driven by the extensive margin. Finally, doctors are less likely to admit patients to inpatient care. We interpret the results in the light of the doctors' incentives literature, explaining how these agents behave in the context of a National Health Service, with no financial incentives.
Applying Quantitative Microbial Risk Assessment Model in Developing Appropriate Standards for Irrigation Water
Authors: Ezzat Safaa M 
Published: December 2019

Abstract
This study aimed to apply a quantitative microbial risk assessment (QMRA) model to estimate the annual risk probability of Salmonella infection associated with the consumption of crops, which were irrigated with raw wastewater abstracted by farmers without official permission. Data generated from the model were used to propose realistic standards for Salmonella in irrigation water needed for safe crop production. Results demonstrated the presence of total coliforms, fecal coliforms, fecal streptococci, and Salmonella in wastewater samples. Salmonella was recorded on lettuce and spinach in 3 different harvesting events, although it was not found in data obtained for parsley plant. The QMRA scenario included surface irrigation, consumption of raw crops, and 1-day withholding period before harvest. The annual risk probability of Salmonella infection for consumers exceeded the target tolerable risk (7.7 × 10−4) for investigated crops. The Pearson's correlation coefficient between different annual risk probabilities showed significant correlation (p &lt; 0.05). The levels of risk posed from spinach and lettuce were roughly similar, although they tended to be higher for lettuce. The optimum concentrations of Salmonella in irrigation water needed to satisfy the World Health Organization guidelines of disease burden (disability-adjusted life years 10−6) per person per year ranged from 34 to 119 via multiple-tube fermentation technique/100 mL, for spinach and lettuce plants, respectively. The study concluded that unofficial reuse of wastewater in irrigation is a principle route for crop contamination. Water quality monitoring programs should be integrated with QMRA investigations for better estimation of risk level. The fit parameters used could be tailored to cover a wide array of local situations in different countries. Models applied for viruses, helminths, and bacteria other than Salmonella are encouraged in future studies. Integr Environ Assess Manag 2020;16:353–361. © 2019 SETAC
KEY POINTS
Raw wastewater irrigation is a principle route for crop contamination with pathogens such as Salmonella. QMRA data indicated that the annual risk probability of Salmonella infection for consumers exceeded the target tolerable risk for investigated crops. The model could estimate the reduction levels of Salmonella needed in irrigation water to provide adequate guidance to regulatory agencies and food crop managers. To verify and maximize the value of the present model for decision makers, a wider range of exposure scenarios, including farmers and consumers, could be added in future studies as well as models for viruses, helminths, and bacteria other than Salmonella.
The Contribution of Economic Science to Brownfield Redevelopment: A Review
Authors: Ameller Joaquin , Rinaudo Jean-Daniel , Merly Corinne 
Published: December 2019

Abstract
Urban planners increasingly perceive Brownfield redevelopment (BFR) as a strategic priority. BFR not only allows suppressing some of the nuisances caused by derelict and contaminated lands, it also contributes to revitalizing dense urban areas and preventing the undesired effects of urban sprawl. This literature review analyzes how economists have contributed to removing some of the barriers that prevent or restrict BFR. A first contribution was to demonstrate the economic benefits of BFR. Economists also contributed to the development of multidisciplinary decision support tools used to rank BFR projects in terms of long-term sustainability and social welfare. They contributed to the design of institutional arrangements, including regulatory and economic instruments, that can facilitate the engagement of stakeholders in BFR projects. Our literature search combines the use of a standard and a systematic literature review to identify relevant papers scattered in very diverse publications. We show that there is significant scope for better integration of economic analysis within the multidisciplinary mainstream of BFR literature and provide pathways for future research. Integr Environ Assess Manag 2020;16:184–196. © 2019 SETAC
Not only assholes drive Mercedes. Besides disagreeable men, also conscientious people drive high‐status cars
Authors: Lönnqvist Jan Erik , Ilmarinen Ville‐Juhani , Leikas Sointu 
Published: December 2019

In a representative sample of Finnish car owners (N = 1892) we connected the Five‐Factor Model personality dimensions to driving a high‐status car. Regardless of whether income was included in the logistic model, disagreeable men and conscientious people in general were particularly likely to drive high‐status cars. The results regarding agreeableness are consistent with prior work that has argued for the role of narcissism in status consumption. Regarding conscientiousness, the results can be interpreted from the perspective of self‐congruity theory, according to which consumers purchase brands that best reflect their actual or ideal personalities. An important implication is that the association between driving a high‐status car and unethical driving behaviour may not, as is commonly argued, be due to the corruptive effects of wealth. Rather, certain personality traits, such as low agreeableness, may be associated with both unethical driving behaviour and with driving a high‐status car.
Physical sensors for skin‐inspired electronics
Authors: Li Shuo , Zhang Yong , Wang Yiliang , Xia Kailun , Yin Zhe , Wang Huimin , Zhang Mingchao , Liang Xiaoping , Lu Haojie , Zhu Mengjia , Wang Haomin , Shen Xinyi , Zhang Yingying 
Published: December 2019

AbstractSkin, the largest organ in the human body, is sensitive to external stimuli. In recent years, an increasing number of skin‐inspired electronics, including wearable electronics, implantable electronics, and electronic skin, have been developed because of their broad applications in healthcare and robotics. Physical sensors are one of the key building blocks of skin‐inspired electronics. Typical physical sensors include mechanical sensors, temperature sensors, humidity sensors, electrophysiological sensors, and so on. In this review, we systematically review the latest advances of skin‐inspired mechanical sensors, temperature sensors, and humidity sensors. The working mechanisms, key materials, device structures, and performance of various physical sensors are summarized and discussed in detail. Their applications in health monitoring, human disease diagnosis and treatment, and intelligent robots are reviewed. In addition, several novel properties of skin‐inspired physical sensors such as versatility, self‐healability, and implantability are introduced. Finally, the existing challenges and future perspectives of physical sensors for practical applications are discussed and proposed.image