bluuebunny/crossref_metadata_2025_split huggingface dataset:
Self‐Assembly of Clicked Star‐Shaped Triazines into Functional Nanostructures
Authors: Castillo‐Vallés Martín , Beltrán Eduardo , Cerdá Jesús , Aragó Juan , Romero Pilar , Serrano José Luis , Ortí Enrique , Giménez Raquel , Sierra Teresa 
Published: November 2018

AbstractTwo non‐amphiphilic star‐shaped 2,4,6‐tris(1,2,3‐triazol‐4‐yl)‐1,3,5‐triazines showing different behavior in terms of self‐assembly and luminescent properties are described. They aggregate in the liquid phase to form low‐dimensional nanostructures with a variety of morphologies, such as spherical particles, one‐hole hollow spheres, toroids, twisted fibers or helical nanotubes, just by varying the conditions of a straightforward reprecipitation method. Aggregation has an opposite effect concerning the fluorescent properties of the proposed compounds, either causing the enhancement or the quenching of the emission after the self‐assembly. Quantum chemical calculations have been also performed to assist in the structural and electronic characterization of the two star‐shaped compounds.
QM/MM Photodynamics of Retinal in the Channelrhodopsin Chimera C1C2 with OM3/MRCI
Authors: Dokukina Irina , Nenov Artur , Garavelli Marco , Marian Christel M. , Weingart Oliver 
Published: November 2018

AbstractThe photoisomerization of all‐trans retinal in channelrhodopsins triggers the opening of a cation channel in the membrane of certain green algae. The stimulus resulting from cell depolarization enables the algae to perceive and react to the present lighting conditions. This property makes channelrhodopsins especially interesting for neuroscientific applications in optogenetics. We investigate the initial photoreaction in the channelrhodopsin chimera C1C2 with a combined quantum mechanical/molecular mechanical (QM/MM) strategy. For geometry optimizations, the OM3/RHF and OM3/MRCI/Amber protocols are used. Trajectory surface hopping calculations are performed with OM3/MRCI/Amber and a statistically relevant number of molecules to obtain reaction rates and quantum yields. The utilized models include a direct hydrogen bond of the retinal Schiff base to the proposed counterions in C1C2, i. e. either toward glutamate or aspartate. Static and dynamic aspects are compared to experimental findings including time constants and spectral traces. The calculations provide a rationale for the observed short and long time components in the photokinetics of C1C2 and yield detailed insight into the photoreaction mechanisms that include bicycle pedal and hula twist motions.
An ameliorated two‐factor anonymous key exchange authentication protocol for mobile client‐server environment
Authors: Mahmood Khalid , Naqvi Husnain , Alzahrani Bander A. , Mehmood Zahid , Irshad Azeem , Chaudhry Shehzad Ashraf 
Published: November 2018

SummaryMobile communication is now an essential part of our day‐to‐day life due to expeditious progress in the industry of information technology. Prior to session key exchange with the corresponding server, a mobile user needs to be authenticated by that server in order to avail its services. Assorted authentication protocols are introduced so far, for authenticating the legitimate mobile users. Very recently, Lu et al introduced a two‐factor scheme for key exchange in the mobile client‐server environment. Lu et al declared that their introduced scheme is anonymous and robust for preventing potential attacks. However, we determined that the scheme of Lu et al is susceptible against server key reveal and smart card stolen attack. Moreover, it is also identified that their scheme is prone to traceability and anonymity violation attacks. Therefore, we proposed an improvement in order to increase the security and effectiveness. The immunity of the proposed protocol and correctness is tested, analyzed, and verified through formal proof of automated tool ProVerif and Burrows‐Abadi‐Needham logic, respectively. Moreover, the security and performance comparison also proved that the improved scheme is robust, efficient, and lightweight.
Ecomorphological diversity of Australian tadpoles
Authors: Sherratt Emma , Anstis Marion , Keogh J. Scott 
Published: November 2018

AbstractEcomorphology is the association between an organism's morphology and its ecology. Larval anuran amphibians (tadpoles) are classified into distinct ecomorphological guilds based upon morphological features and observations of their ecology. The extent to which guilds comprise distinct morphologies resulting from convergent evolution, the degree of morphological variability within each guild, and the degree of continuity in shape between guilds has not previously been examined in a phylogenetically informed statistical framework. Here, we examine tadpole ecomorphological guilds at a macroevolutionary scale by examining morphological diversity across the Australian continent. We use ecological data to classify species to guilds, and geometric morphometrics to quantify body shape in the tadpoles of 188 species, 77% of Australian frog diversity. We find that the ecomorphological guilds represented by Australian species are morphologically distinct, but there is substantial morphological variation associated with each guild, and all guilds together form a morphological continuum. However, in a phylogenetic comparative context, there is no significant difference in body shape among guilds. We also relate the morphological diversity of the Australian assemblage of tadpoles to a global sample and demonstrate that ecomorphological diversity of Australian tadpoles is limited with respect to worldwide species. Our results demonstrate that general patterns of ecomorphological variation are upheld in Australian tadpoles, but tadpole body shape is more variable and possibly generalist than generally appreciated.
Electrokinetics over hydrophobic surfaces
Authors: Karan Pratyaksh , Chakraborty Jeevanjyoti , Chakraborty Suman 
Published: November 2018

AbstractSegregation of phases in the vicinity of hydrophobic surfaces may turn out to be immensely consequential towards altering the coupling of electrostatics and hydrodynamics over interfacial scales. Here, we review the fundamental advances towards bringing out the various facets of electrokinetic transport over hydrophobic interfaces. We lay significant emphasis on the developments in understanding the slippery electrohydrodynamics over such interfaces, by appealing to the considerations across various spatio‐temporal scales as unveiled by molecular dynamics as well as mesoscopic modelling paradigms (such as phase field and lattice Boltzmann). We envisage that despite significant advancements being achieved towards relating the macroscopic slip‐length with the underlying molecular or mesoscopic phenomena, future efforts could be directed towards developing more robust statistically based models that may connect rarefied gas dynamics in the segregated phase with bulk electrokinetic transport and possible giant augmentations in the consequent fluid flow.
Influence of Sludge Age on the Performance of a Cyclically Fed Microbial Fuel Cell Using Glycerol from Biodiesel
Authors: Costa Santos J. B. , Silva de Barros V. V. , Linares J. J. 
Published: November 2018

AbstractThis study focuses on the influence of sludge age (SA) on the production of electricity from a cyclically fed glycerol–based microbial fuel cell. Under the same hydraulic retention time, different volumes of sludge were extracted from the anode compartment, thereby modifying the SA. Such changes affect the electrochemical performance, the organic matter biodegradation and consequently, the coulombic efficiency. A sludge volume of 0.01 L (corresponding to a SA of 24 d) appears to be optimal, because this favors the development of electricity–generating microorganisms (EGM). Shorter SA times wash EGM out of the system and promote growth of the fermenter (mainly acidogenic bacteria), whereas a longer SA reduces the microbial population. A final product analysis identified that short SAs provide favorable conditions in which higher concentrations of short–chain organic acids are detected.
Frequency Characteristics of Hydrogen‐Air Fuel Cell Electrochemical Noise
Authors: Astafev E. 
Published: November 2018

AbstractElectrochemical noise (ECN) of operating polymer membrane hydrogen‐air fuel cell was measured in a wide frequency band. Spectral power densities of the noise were calculated to consider its frequency characteristics. Air flow speed on the cathode side was sinusoidal modulated to investigate the response of fuel cell noise to external conditions changing. It was shown that properly operated fuel cell does not possess self‐resonance or peaks in electrochemical noise frequency dependence.
Radiation recall pneumonitis induced by nivolumab in a patient with renal cell carcinoma
Authors: Nakamura Kenji , Okubo Kazutoshi , Takahashi Takeshi , Mitsumori Kenji , Ishigaki Takashi , Ohnishi Hiroyuki 
Published: November 2018

IntroductionA radiation recall reaction in previously irradiated lungs is known as radiation recall pneumonitis. We encountered a rare case of radiation recall pneumonitis induced by nivolumab 9 months after palliative radiotherapy to the ribs.Case presentationThe patient was a 69‐year‐old woman with renal cell carcinoma. She had received various drugs and palliative irradiation, which was followed by nivolumab treatment, for renal cell carcinoma. Three days after the initial nivolumab administration, she presented with respiratory symptoms. On the basis of chest computed tomography findings, she was diagnosed with nivolumab‐induced radiation recall pneumonitis and treated with prednisolone (1 mg/kg). The condition resolved rapidly, and chest computed tomography 4 months after nivolumab cessation revealed interval resolution of the lung consolidation and persistent tumor shrinkage.ConclusionPhysicians should consider the risk of radiation recall pneumonitis during treatment with immune checkpoint inhibitors in patients who have received previous thoracic radiotherapy.
Real‐time forecast combinations for the oil price
Authors: Garratt Anthony , Vahey Shaun P. , Zhang Yunyi 
Published: November 2018

SummaryBaumeister and Kilian (Journal of Business and Economic Statistics, 2015, 33(3), 338–351) combine forecasts from six empirical models to predict real oil prices. In this paper, we broadly reproduce their main economic findings, employing their preferred measures of the real oil price and other real‐time variables. Mindful of the importance of Brent crude oil as a global price benchmark, we extend consideration to the North Sea‐based measure and update the evaluation sample to 2017:12. We model the oil price futures curve using a factor‐based Nelson–Siegel specification estimated in real time to fill in missing values for oil price futures in the raw data. We find that the combined forecasts for Brent are as effective as for other oil price measures. The extended sample using the oil price measures adopted by Baumeister and Kilian yields similar results to those reported in their paper. Also, the futures‐based model improves forecast accuracy at longer horizons.
The interaction between ANXA2 and lncRNA Fendrr promotes cell apoptosis in caerulein‐induced acute pancreatitis
Authors: Zhao Dali , Ge Huajun , Ma Biao , Xue Dongbo , Zhang Weihui , Li Zhituo , Sun Haijun 
Published: November 2018

AbstractBackgroundAnnexin A2 (ANXA2) plays a crucial role in acute pancreatitis (AP). However, its potential mechanism remains unclear.MethodsIn the present study, we used caerulein‐treated AR42J rat pancreatic acinar cells as cell model of AP to investigate the potential functions of ANXA2 and its predicted long noncoding RNA (lncRNA) FOXF1 adjacent noncoding developmental regulatory RNA (lncRNA Fendrr). Cell apoptosis was evaluated by flow cytometry using annexinV‐fluorescein isothiocyanate/propidium iodide staining. The expressions of ANAX2 and lncRNA Fendrr were detected by quantitative real‐time polymerase chain reaction (qRT‐PCR). Furthermore, Western blot analysis was performed to determine the protein levels of ANXA2, Bcl‐2, and Bax. The association between lncRNA Fendrr and ANXA2 was disclosed by RNA pull‐down, RNA immunoprecipitation, and electrophoretic mobility shift assays.ResultsANXA2 was elevated in caerulein‐induced AP model and promoted apoptosis of AR42J cells. LncRNA Fendrr was also upregulated in AP cell model and directly bound ANXA2 protein. Further studies indicated that the interaction between ANXA2 and lncRNA Fendrr contributed to the apoptosis of AR42J cells in AP cell model.ConclusionOur study demonstrated that ANXA2 promoted AP progression via interacting with lncRNA Fendrr in vitro, which will provide a novel insight into the therapeutic target for AP.
The Safety Profile of Tumor Necrosis Factor Inhibitors in Ankylosing Spondylitis: Are TNF Inhibitors Safer Than We Thought?
Authors: Wroński Jakub , Fiedor Piotr 
Published: November 2018

AbstractTumor necrosis factor (TNF) inhibitors significantly improved the treatment options for patients with ankylosing spondylitis. Unfortunately, currently, there is no strategy for sustaining remission of the disease with TNF inhibitors; after discontinuation, a high percentage of patients experience flares in a short time. Therefore, up‐to‐date, long‐term use of TNF inhibitors in patients with ankylosing spondylitis remains necessary. For this reason, the issue of the long‐term safety of TNF inhibitors in patients with ankylosing spondylitis raises concerns. Although TNF inhibitors are well established in ankylosing spondylitis treatment, the majority of studies on TNF inhibitors’ safety have been performed in patients with rheumatoid arthritis. Until recently, there were very few studies of TNF inhibitors’ safety in ankylosing spondylitis. Meanwhile, TNF inhibitors appear to have different safety profiles in ankylosing spondylitis and rheumatoid arthritis. In this review, we describe available data on the occurrence of adverse events associated with TNF inhibitor treatment in ankylosing spondylitis, including serious adverse events, infections, serious infections, tuberculosis, opportunistic infections, hepatitis B reactivation, malignancies, laboratory test abnormalities, autoimmune diseases, paradoxical adverse events, and heart failure.
Reliability of low‐flow vasoreactivity in the brachial artery of adolescents
Authors: Kranen Sascha H. , Bond Bert , Williams Craig A. , Barker Alan R. 
Published: November 2018

AbstractPurposeMacrovascular endothelial function is commonly assessed using flow‐mediated dilation (FMD) and is nitric oxide (NO) dependent. However, the vasoreactivity to low flow during the FMD protocol may complement FMD interpretation. This study aimed to investigate in adolescents: (1) the day‐to‐day reliability of low‐flow‐mediated constriction (L‐FMC) and composite vessel reactivity (CVR); and (2) the relationship between L‐FMC and FMD.MethodsA retrospective analysis of data on 27 adolescents (14.3 ± 0.6 year, 12 males) was performed. Participants had two repeat measures, on separate days, of macrovascular function using high‐resolution ultrasound for assessment of L‐FMC, FMD, and CVR.ResultsOn average, the L‐FMC response was vasoconstriction on both days (−0.59 ± 2.22% and −0.16 ± 1.50%, respectively). In contrast, an inconsistent response to low flow (vasoconstriction, dilation, or no change) was observed on an individual level. Cohen's Kappa revealed poor agreement for classifying the L‐FMC measurement between visits (k = 0.04, P > .05). Assessment of the actual vessel diameter was robust with a coefficient of variation of 1.7% (baseline and peak) and 2.7% (low‐flow). The between‐day correlation coefficient between measures was r = .18, r = .96 and r = .52 for L‐FMC, FMD, and CVR, respectively. No significant correlation between FMD and L‐FMC was observed for either visit (r = −.06 and r = −.07, respectively; P > .05).ConclusionIn adolescents, the low‐flow vasoreactivity is inconsistent between days. Whereas the actual vessel diameter is reproducible, the measurement of L‐FMC and CVR has poor between‐day reliability compared to FMD. Finally, L‐FMC, and FMD are not significantly correlated.
Microplate assay for denatured collagen using collagen hybridizing peptides
Authors: Lin Allen H. , Zitnay Jared L. , Li Yang , Yu Seungju M. , Weiss Jeffrey A. 
Published: November 2018

ABSTRACTThe purpose of this study was to develop a microplate assay for quantifying denatured collagen by measuring the fluorescence of carboxyfluorescein bound collagen hybridizing peptides (F‐CHP). We have shown that F‐CHP binds selectively with denatured collagen, and that mechanical overload of tendon fascicles causes collagen denaturation. Proteinase K was used to homogenize tissue samples after F‐CHP staining, allowing fluorescence measurement using a microplate reader. We compared our new assay to our previous image analysis method and the trypsin‐hydroxyproline assay, which is the only other available method to directly quantify denatured collagen. Relative quantification of denatured collagen was performed in rat tail tendon fascicles subjected to incremental tensile overload, and normal and ostoeoarthritic guinea pig cartilage. In addition, the absolute amount of denatured collagen was determined in rat tail tendon by correlating F‐CHP fluorescence with percent denatured collagen as determined by the trypsin‐hydroxyproline assay. Rat tail tendon fascicles stretched to low strains (<7.5%) exhibited minimal denatured collagen, but values rapidly increased at medium strains (7.5–10.5%) and plateaued at high strains (≥12%). Osteoarthritic cartilage had higher F‐CHP fluorescence than healthy cartilage. Both of these outcomes are consistent with previous studies. With the calibration curve, the microplate assay was able to absolutely quantify denatured collagen in mechanically damaged rat tail tendon fascicles as reliably as the trypsin‐hydroxyproline assay. Further, we achieved these results more efficiently than current methods in a rapid, high‐throughput manner, with multiple types of collagenous tissue while maintaining accuracy. © 2018 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 37:431–438, 2019.
Engineering Proteases for Mass Spectrometry‐Based Post Translational Modification Analyses
Authors: Tran Duc T. 
Published: November 2018

AbstractProtein post‐translational modifications (PTMs) are important modulators of virtually all cellular processes, and frequently correlate with not only the rate but also severity of diseases. There has been considerable interest to map all possible PTM sites to be used as drug targets. Current approaches for PTM analysis suffer from a number of challenges; one of which is the lack of a PTM specific cleaving reagent. A central technology for global quantitative PTM analysis, mass spectrometry (MS) based proteomics, is biased toward trypsin due to its high activity and specificity. This bias becomes a problem when a PTM is located at or near tryptic cleavage sites, in which case the PTM might block recognition by trypsin, resulting in missed cleavage and sequence coverage gaps. Reviewed here are recent advances in engineering new proteases for PTM analyses, and how these new proteases are beginning to address current challenges in the field.
Frontal Cortex Proteome Perturbation after Juvenile Rat Secondhand Smoke Exposure
Authors: Lewis Liam S. C. , Muldoon Pretal P. , Pilaka Pallavi P. , Ottens Andrew K. 
Published: November 2018

AbstractSecondhand smoke remains a global concern for children's health. Epidemiological studies implicate exposure to secondhand smoke as a major risk factor for behavioral disorders, yet biological causation remains unclear. Model studies have mainly focused on secondhand smoke impacts to prenatal neurodevelopment, yet juvenile exposure represents a separate risk. Using ion mobility–enhanced data‐independent mass spectrometry, the effect of juvenile secondhand smoke exposure on the prefrontal cortex, a principal part of the brain involved in behavioral control, is characterized. The produced dataset includes 800 significantly responsive proteins within the juvenile orbital frontal cortex, with 716 showing an increase in abundance. The neuroproteomic response reflects a prominent perturbation within the glutamatergic synaptic system, suggesting aberrant, disorganized excitation as observed underlying psychiatric disorders. Also disclosed are impacts to GABAergic and dopaminergic systems. Overall, the dataset provides a wealth of detail, facilitating further targeted research into the causal mechanisms underlying behavioral disorders associated with juvenile exposure to secondhand smoke and other environmental pollutants. All MS data have been deposited to the ProteomeXchange consortium with identifier PXD011744.
Deep‐blue light‐emitting polyfluorenes with asymmetrical naphthylthio‐fluorene as Chromophores
Authors: Hu Liwen , Wu Zhonglian , Wang Xiaojun , Ma Yawei , Guo Ting , Ying Lei , Peng Junbiao , Cao Yong 
Published: November 2018

ABSTRACTA novel blue polycyclic aromatic compound 2,8‐dibromo‐14,14‐dioctyl‐14H‐benzo[b]benzo [5,6] fluoreno[1,2‐d]thiophene 9,9‐dioxide (Br2NFSO) is designed and synthesized through multistep synthesis, and its structure is confirmed by nuclear magnetic resonance. Based on synthesized polycyclic aromatic compound Br2NFSO, a series of twisted blue light‐emitting polyfluorenes derivatives (PNFSOs) are prepared by one‐pot Suzuki polycondensation. Based on the twisted polymer molecular structure resulted from the asymmetric links of 14,14‐dioctyl‐14H‐benzo[b]benzo[5,6]fluoreno[1,2‐d]thiophene 9,9‐dioxide (NFSO) unit in copolymers and better electron transport ability of NFSO than those of the electron‐deficient dibenzothiophene‐S,S‐dioxide counterpart, the resulting polymers exhibit excellent electroluminescent spectra stability in the current densities from 100 to 800 mA cm−2, and show blue‐shifted and narrowed electroluminescent spectra with the Commission Internationale de L′Eclairage (CIE) of (0.16, 0.07) for PNFSO5, compared to poly(9,9‐dioctylfluorene) (PFO) with the CIE of (0.18, 0.18). Moreover, the superior device performance is achieved based on PNFSO5 with the maximum luminous efficiency (LEmax) of 1.96 cd A−1, compared with the LEmax of 0.49 cd A−1 for PFO. The results indicate that the twisted polycyclic aromatic structure design strategy has a great potential to tuning blue emission spectrum and improving EL efficiency of blue light‐emitting polyfluorenes. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 171–182