bluuebunny/crossref_metadata_2025 huggingface dataset:
Competitive Metal Coordination of Hexaaminotriphenylene on Cu(111) by Intrinsic Copper Versus Extrinsic Nickel Adatoms
Authors: Lischka Matthias , Dong Renhao , Wang Mingchao , Martsinovich Natalia , Fritton Massimo , Grossmann Lukas , Heckl Wolfgang M. , Feng Xinliang , Lackinger Markus
Published: November 2018

The interplay between the self‐assembly and surface chemistry of 2,3,6,7,10,11‐hexaaminotriphenylene (HATP) on Cu(111) was complementarily studied by high‐resolution scanning tunneling microscopy (STM) and X‐ray photoelectron spectroscopy (XPS) under ultra‐high vacuum conditions. To shed light on the competitive metal coordination, comparative experiments were carried out on pristine and nickel‐covered Cu(111). Directly after room‐temperature deposition of HATP onto pristine Cu(111), self‐assembled aggregates were observed by STM, and XPS results indicated still protonated amino groups. Annealing up to 200 °C activated the progressive single deprotonation of all amino groups as indicated by chemical shifts of both the N 1s and C 1s core levels in the XP spectra. This enabled the formation of topologically diverse π–d conjugated coordination networks with intrinsic copper adatoms. The basic motif of these networks was a metal–organic trimer, in which three HATP molecules were coordinated by Cu3 clusters, as corroborated by the accompanying density functional theory (DFT) simulations. Additional deposition of more reactive nickel atoms resulted in both chemical and structural changes with deprotonation and formation of bis(diimino)–Ni bonded networks already at room temperature. Even though fused hexagonal metal‐coordinated pores were observed, extended honeycomb networks remained elusive, as tentatively explained by the restricted reversibility of these metal–organic bonds.
Unusual Fusion of α‐Fluorinated Benzophenones under McMurry Reaction Conditions
Authors: Akhmetov Vladimir , Feofanov Mikhail , Ioutsi Vitaliy , Hampel Frank , Amsharov Konstantin
Published: November 2018

By exposure of α‐fluorinated benzophenones to McMurry reaction conditions, we have observed the remarkable formation of 9,10‐diphenylanthracene derivatives. This unexpected transformation necessitates the cleavage of the exceptionally stable aromatic C−F bond under mild McMurry conditions. In this work, the condensation of several related fluorinated benzo‐ and acetophenones has been investigated, which allow us to propose a domino‐like fusion mechanism for this unusual transformation. The scope and limitations of the fluorine‐promoted benzophenone fusion are subsequently discussed.
Weakly Coordinating, Ketone‐Directed (η5‐Pentamethylcyclopentadienyl)cobalt(III)‐ and (η5‐Pentamethylcyclopentadienyl)rhodium(III)‐Catalyzed C−H Amidation of Arenes: A Route to Acridone Alkaloids
Authors: Bera Sourav Sekhar , Sk Md Raja , Maji Modhu Sudan
Published: November 2018

The weakly coordinating, ketone‐directed, regioselective monoamidation of aromatic ketones, chalcone, carbazole, and benzophenones was achieved by employing high‐valent cobalt and rhodium catalysis to access numerous biologically important molecular building blocks. This amidation proceeded smoothly with a variety of ketones and several amidating partners. The application of the products in the synthesis of various heterocycles, including acridones, indoles, quinoline, quinolones, quinolinones, and quinazolines, was also explored. The total synthesis of acridone‐based alkaloids, namely, toddaliopsin A, toddaliopsin D, and arborinine, and the formal synthesis of acronycine and noracronycin were also accomplished by applying this method. A mechanistic study revealed this amidation reaction follows a base‐assisted intermolecular electrophilic substitution pathway.
Nonclassical Mechanism in the Cyclodehydration of Diols Catalyzed by a Bifunctional Iridium Complex
Authors: González Miera Greco , Bermejo López Aitor , Martínez‐Castro Elisa , Norrby Per‐Ola , Martín‐Matute Belén
Published: November 2018

1,4‐ and 1,5‐diols undergo cyclodehydration upon treatment with cationic N‐heterocyclic carbene (NHC)–IrIIIcomplexes to give tetrahydrofurans and tetrahydropyrans, respectively. The mechanism was investigated, and a metal‐hydride‐driven pathway was proposed for all substrates, except for very electron‐rich ones. This contrasts with the well‐established classical pathways that involve nucleophilic substitution.
Unravelling the Synthesis and Chemistry of Stable, Acyclic, and Double‐Deficient 1,3‐Butadienes: An endo‐Selective Diels–Alder Route to Hedgehog Pathway Inhibitors
Authors: Xin Xiaoyi , Zimmermann Stefan , Flegel Jana , Otte Felix , Knauer Lena , Strohmann Carsten , Ziegler Slava , Kumar Kamal
Published: November 2018

The first synthetic access to stable and acyclic 1,3‐butadienes with two electron‐withdrawing carbonyl groups and their potential to deliver new molecular scaffolds through intriguing endo‐selective Diels–Alder cycloadditions are presented. The bicyclic scaffolds produced through the cycloaddition chemistry of electron‐deficient dienes afforded potent Hedgehog signaling pathway inhibitors.
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

Two 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

The 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

Mobile 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

Ecomorphology 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.
European Research in Focus: C–H Activation in Organic Synthesis (CHAOS)
Authors: Besset Tatiana , McGlacken Gerard , Schnürch Michael
Published: November 2018

In this guest editorial Tatiana Besset, Gerard McGlacken, and Michael Schnürch introduce the European COST Action “C–H Activation in Organic Synthesis (CHAOS)”.
Electrokinetics over hydrophobic surfaces
Authors: Karan Pratyaksh , Chakraborty Jeevanjyoti , Chakraborty Suman
Published: November 2018

Segregation 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.
Insight into the defluoridation efficiency of lateritic soil
Authors: Oladoja N. A. , Bello G. A. , Obisesan S. V. , Helmreich B. , Ogunniyi J. A. , Daramola O. A. , Bello H. A. , Anthony E. T. , Saliu T. D.
Published: November 2018

The need to explicate the mechanisms that underlies the defluoridation of potable water using lateritic soil necessitated this study. Raw laterite sample was thermally treated at varying temperatures that ranged between 100
°C and 1000
°C to determine the effects of thermal treatment on the surficial features and the defluoridation efficiency. The influence of hydrochemistry (i.e., pH, ionic strength, and anionic interference) on the defluoridation efficiency of the lateritic soil was studied. The determination of the effects of thermal treatment on the performance efficiency of the laterites sample showed that the presence of surface hydroxyl group enhanced the defluoridation efficiency. The kinetic analysis of the process showed that the pseudo‐second‐order kinetic equation gave the best description of the process. The evaluation of the influence of ionic strength on the defluoridation efficiency showed that the interaction between the LT0 and the aqua phase F− occurred via inner sphere complex formation. The assessment of the impact of the initial F− solution pH value on the process showed that the possible mode of interaction between the LT0 and the aqua phase F− include electrostatic attraction, ligand exchange, and H‐ bonding. The evaluation of anionic (NO3−, Cl− PO43−, CO32−, and SO42−) interference on the process showed that the mode of interaction between the LT0 and the F− occurred via specific adsorption. Laterite can be effectively used in aqua defluoridation, except where the presence of specific interfering ionic species are abundant. © 2018 American Institute of Chemical Engineers Environ Prog, 38:e13107, 2019
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

This 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

Electrochemical 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.
Speculation and volatility—A time‐varying approach applied on Chinese commodity futures markets
Authors: Wellenreuther Claudia , Voelzke Jan
Published: November 2018

Experts have long discussed and empirically investigated whether speculative activity increases volatility on commodity futures markets. Little empirical research, however, analyzes the role of speculators on commodity futures markets in China. Using time‐varying vector autoregression models with stochastic volatility, this paper investigates for four heavily traded metal and agricultural contracts, how the relationship between returns volatility and speculation evolves over time. Our findings indicate that speculative activity has little to no impact on volatility. On the contrary, for all commodities examined, returns volatility seems to amplify speculation.
Increasing risk of uterine cervical cancer among young Japanese women: Comparison of incidence trends in Japan, South Korea and Japanese‐Americans between 1985 and 2012
Authors: Utada Mai , Chernyavskiy Pavel , Lee Won Jin , Franceschi Silvia , Sauvaget Catherine , de Gonzalez Amy Berrington , Withrow Diana R.
Published: November 2018

In Japan, cervical cancer incidence has increased since the late 1990s especially among young women, despite a decreasing trend in most developed countries. Here, we examined age, period and birth cohort trends in cervical cancer incidence rates from 1985 to 2012. Incidence rates were ascertained using three population‐based cancer registries and analyzed using Joinpoint regression and age‐period‐cohort models. We compared the findings in Japan to trends among Japanese‐Americans in the Surveillance, Epidemiology, and End Results Registries and among women in South Korea using the Korea Central Registry. Age‐standardized incidence rates in Japan decreased by 1.7% per year (95% confidence interval − 3.3%, 0.0%) until 1997 and thereafter increased by 2.6% per year (1.1%, 4.2%). Incidence rates increased among women under age 50, were stable among women aged 50–54, and decreased or remained stable among women aged 55 and over. The age‐standardized incidence rate ratio by birth cohort showed a U‐shaped pattern with the lowest rates in women born in the late 1930s and 1940s. In comparison, women born before 1920 and after 1970 had about double the incidence. Increasing risk in recent birth cohorts was not evident in Japanese‐American or South Korean women. The trends in Japan may be attributable to increasing prevalence of human papillomavirus (HPV) infection among young women. Screening and vaccination have been shown to be highly effective and would help reverse these trends.
Relationship between Chinese children's imaginary companions and their understanding of second‐order false beliefs and emotions
Authors: Lin Qiyi , Zhou Nan , Wan Yingjia , Fu Hong
Published: November 2018

We investigated relationship between Chinese children's imaginary companions (ICs) and their understanding of second‐order false beliefs and emotions in 180 children, aged 5–6 years old. We examined the potential differences in second‐order false belief understanding and emotion understanding between children with and without ICs, children with egalitarian IC relationships and hierarchical IC relationships, as well as children with invisible friends and personified objects. The results revealed that children with ICs had better second‐order false belief understanding and emotion understanding than children without ICs. Compared with children with hierarchical relationships, children with egalitarian relationships had better second‐order false belief understanding. However, children with invisible friends and personified objects did not differ on their understanding of second‐order false beliefs and emotions. The results suggest that compared with IC types, IC status and child‐IC relationship qualities may be more relevant to children's theory of mind. It will be interesting for the future researchers to investigate the underlying mechanism of the differences between children with egalitarian IC relationships and hierarchical IC relationships.
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

Introduction

A 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 presentation

The 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.

Conclusion

Physicians 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

Baumeister 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

Background

Annexin A2 (ANXA2) plays a crucial role in acute pancreatitis (AP). However, its potential mechanism remains unclear.

Methods

In 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.

Results

ANXA2 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.

Conclusion

Our 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

Tumor 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

Purpose

Macrovascular 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.

Methods

A 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.

Results

On 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).

Conclusion

In 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.
Cervical human papillomavirus among 19 753 women attending gynecological department of a major comprehensive hospital in north Anhui China 2013‐2016: Implication for cervical cancer screening and prevention
Authors: Liu Hongli , Wei Xueting , Xie Zongyu , Wang Xiaojing , Gong Xiaomeng , Ke Wujian , Zou Huachun
Published: November 2018

Our study aimed to assess the prevalent, incident, and persistent infection, and clearance of HPV among 19 753 individual women attending the gynecological department at a major comprehensive hospital. HPV 16, 52, and 58 ranked top three types with the highest prevalence and incidence. The prevalence of high‐risk (HR) HPV peaked among women aged 15 to 19 years, then sharply decreased with age, stabilized among women aged 25 to 44 years, and then surged again among women aged 45 years and older. HR HPV infection were more likely to be prevalent (15.9% vs 1.3%, P < 0.001), incident (17.3 vs 2.0 per 1000 person‐months, P < 0.001), and persistent (33.0% vs 24.2%, P = 0.033), and less likely to clear (88 vs 115 per 1000 person‐months, P = 0.040) compared to low‐risk HPV types. The majority of women detected with HR HPV types did not retest within 12 months. Clinical guidelines on HPV DNA testing are needed and education and counseling about HPV infection and its implications for women detected with HPV at clinical settings are warranted.
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

The 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.
The normalizer of
Authors: Şanlı Zeynep , Köroğlu Tuncay , Güler Bahadır Özgür
Published: November 2018

In this paper, the normalizers of
, for k = 2 or 3, in the groups Γk of modular group Γ are given by using the concept of Γk axes of the set of left cosets of
, on which Γk acts transitively, in Γk.
Engineering Proteases for Mass Spectrometry‐Based Post Translational Modification Analyses
Authors: Tran Duc T.
Published: November 2018

Protein 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

Secondhand 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

A 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
Changes in Critical Parameters of GdBa2Cu3O7−x HTS‐2G Due to Swift‐Ion Irradiation
Authors: Antonova Landysh , Troitskii Alexey , Mikhailova Galina , Demikhov Timofey , Kuzmichev Svetoslav , Skuratov Vladimir , Semina Vera
Published: November 2018

The influence of the ion irradiation 132Xe27+ (167 MeV), 86Kr17+ (107 MeV), and 40Ar8+ (48 MeV) on critical properties (Ic, Tc, ΔTc) of superconductor tapes of the 2‐nd generation GdBa2Cu3O7−x (SuperOx) are studied. It is shown that the critical current slightly increases and the width of the transition to the superconducting state reduces at low doses of Xe‐irradiation. The obtained results enable the authors to estimate the radiation resistance of this HTS‐2G tape to the used irradiation. As for the critical temperature, its decrease begins at considerably higher fluences than the decrease in the critical current, and ΔTc also changes. The decrease in the critical current can be explained by the irradiation‐induced disorder of coherent boundaries between crystallites. At the instant of Tc to zero, it is possible to roughly estimate the track radii induced by the ions.
Thermally Annealed Sub‐Monolayers of AlF3 on Cu(100): An STM and XPS Study
Authors: Moreno‐López Juan C. , Ruano Gustavo , Ferrón Julio , Ayala Paola , Passeggi Mario C. G.
Published: November 2018

A steady and durable transition from rough and randomly oriented 2D aluminum fluoride clusters to ultra‐thin films with defined arrangement is here reported. Scanning tunneling microscopy images show that the material deposited on top of Cu(100) reveals a smooth surface with a preferential arrangement and a transition in the morphology of the islands after performing a post‐deposition annealing treatment at 575 K. X‐ray photoelectron spectroscopy shows that the chemical environment of fluoride atoms remains unaltered after performing annealing treatments at this temperature. However, the tunneling voltage used to acquire STM images of the films changes from typical insulator values to metallic‐like ones after annealing. These results suggest an important change in the local density of states of the aluminum fluoride islands after the post‐deposition annealing treatment.
Role of CXCR2 in the Ac-PGP-Induced Mobilization of Circulating Angiogenic Cells and its Therapeutic Implications
Authors: Kwon Yang Woo , Lee Seung Jun , Heo Soon Chul , Lee Tae Wook , Park Gyu Tae , Yoon Jung Won , Kim Seung-Chul , Shin Ho Jin , Lee Sang Chul , Kim Jae Ho
Published: November 2018

Circulating angiogenic cells (CACs) have been implicated in the repair of ischemic tissues, and their mobilization from bone marrow is known to be regulated by the activations of chemokine receptors, including CXCR2 and CXCR4. This study was conducted to investigate the role of N-acetylated proline-glycine-proline (Ac-PGP; a collagen-derived chemotactic tripeptide) on CAC mobilization and its therapeutic potential for the treatment of peripheral artery diseases. Ac-PGP was administered daily to a murine hind limb ischemia model, and the effects of Ac-PGP on blood perfusion and CAC mobilization (Sca1+Flk1+ cells) into peripheral blood were assessed. Intramuscular administration of Ac-PGP significantly improved ischemic limb perfusion and increased limb salvage rate by increasing blood vessel formation, whereas Ac-PGP-induced blood perfusion and angiogenesis in ischemic limbs were not observed in CXCR2-knockout mice. In addition, Ac-PGP-induced CAC mobilization was found to occur in wild-type mice but not in CXCR2-knockout mice. Transplantation of bone marrow from green fluorescent protein (GFP) transgenic mice to wild-type mice showed bone marrow-derived cells homed to ischemic limbs after Ac-PGP administration and that GFP-positive cells contributed to the formation of ILB4-positive capillaries and α smooth muscle actin (α-SMA)-positive arteries. These results suggest CXCR2 activation in bone marrow after Ac-PGP administration improves blood perfusion and reduces tissue necrosis by inducing CAC mobilization. These findings suggest a new pharmaceutical basis for the treatment of critical limb ischemia. Stem Cells Translational Medicine  2019;8:236&246
Heteroscedastic asymmetric spatial processes
Authors: Yin Jiangyong , Craigmile Peter F.
Published: November 2018

The Gaussian stochastic process is commonly used for modelling time series and geostatistical data. However, the Gaussianity assumption is known to be insufficient or inappropriate in many spatial risk assessment settings. We develop specific non‐Gaussian models to capture the asymmetry and heavy tails of many real‐world spatial datasets. Introducing a general framework for constructing non‐Gaussian spatial processes using transformations of a latent multivariate Gaussian process, we develop a heteroscedastic asymmetric spatial process (HASP) for capturing the non‐Gaussian features of environmental or climatic data, such as heavy tails and skewness. Conditions for this process to be well defined are discussed. The properties of HASP, including marginal moments and the covariance structure, are derived. A Markov chain Monte Carlo procedure is developed for sampling from the posterior distribution. The HASP model is applied to the study of a U.S. nitrogen dioxide concentration dataset.
Seismic performance of corrugated steel plate concrete composite shear walls
Authors: Wang Wei , Ren Yingzi , Han Bin , Ren Tan , Liu Gewei , Liang Yujian
Published: November 2018

In this paper, composite shear walls with different encased steel plates (flat, horizontal corrugated, and vertical corrugated) were tested and simulated by Abaqus to investigate the seismic behavior of corrugated steel plate concrete composite shear walls (SPCSWs). The failure characteristics, deformation and energy dissipation capacity, and stiffness and bearing capacity of the structures under low‐frequency cyclic load were analyzed, and indexes of the seismic performance were obtained. The formulas of the shear‐bearing capacity of steel plate concrete composite shear walls are suggested, and the shear‐sharing ratio of each member is obtained. According to the obtained results, corrugated steel plates can bond with concrete well, and the bearing capacity of the vertical corrugated SPCSW are higher than that of the horizontal corrugated SPCSW. Compared with flat SPCSW, corrugated SPCSW has higher initial stiffness and lateral stiffness, better ductility and energy dissipation ability, and the degradation of bearing capacity and stiffness is slower. The shear‐sharing ratio of a steel plate is larger than that of reinforced concrete in the flat SPCSW and the vertical corrugated SPCSW, the shear force shared by steel plate and reinforced concrete in horizontal corrugated SPCSW is basically the same.
Candida tropicalis biofilm formation and expression levels of the CTRG ALS‐like genes in sessile cells
Authors: Galán‐Ladero María Ángeles , Blanco‐Blanco María Teresa , Fernández‐Calderón María Coronada , Lucio Leopoldo , Gutiérrez‐Martín Yolanda , Blanco María Teresa , Pérez‐Giraldo Ciro
Published: November 2018

Candida tropicalis is an emergent pathogen with a high rate of mortality associated with it; however, less is known about its pathogenic capacity. Biofilm formation (BF) has important clinical repercussions, and it begins with adherence to a substrate. The adherence capacity depends principally on the cell surface hydrophobicity (CSH) and, at a later stage, on specific adherence due to adhesins. The ALS family in C. tropicalis, implicated in adhesion and BF, is represented in several CTRG genes. In this study, we determined the biofilm‐forming ability, the primary adherence, and the CSH of C. tropicalis, including six isolates from blood and seven from urine cultures. We also compared the expression of four CTRG ALS‐like genes (CTRG_01028, CTRG_02293, CTRG_03786, and CTRG_03797) in sessile versus planktonic cells, selected for their possible contribution to BF. All the C. tropicalis strains were biofilm producers, related to its filamentation capacity; all the strains displayed a high adherence ability correlated to the CSH, and all the strains expressed the CTRG genes in both types of growth. Urine isolates present, although not significantly, higher CSH, adherence, and biofilm formation than blood isolates. This study reveals that three CTRG ALS‐like genes—except CTRG_03797—were more upregulated in biofilm cells, although with a considerable variation in expression across the strains studied and between the CTRG genes. C. tropicalis present a high biofilm capacity, and the overexpression of several CTRG ALS‐like genes in the sessile cells suggests a role by the course of the biofilm formation.
Synthesis, Characterization, and Structural Comparisons of the First Neodymium(III) Sulfite‐Acetate Crystal Structure
Authors: Dovgan Jakob T. , Polinski Matthew J. , Villa Eric M.
Published: November 2018

The first lanthanide sulfite compound with a secondary ligand, Nd(SO3)(C2H3O2), was hydrothermally synthesized and solved with single‐crystal X‐ray diffraction. In order to prevent the facile oxidation of the sulfite to sulfate, careful control of both pH and reaction temperature were required for successful synthesis of the title compound; even slight changes in conditions allow for the facile oxidation of sulfite to sulfate and yields the known [Nd(C2H3O2)(SO4)(H2O)2] structure. This two‐dimensional sheet topology further expands the chemistry of lanthanide sulfite extended structures and also allows for easy structural comparisons to other lanthanide sulfite compounds and the above mentioned neodymium sulfate‐acetate compound.
Topochemical Path in High Lithiation of MoS2
Authors: Caputo Riccarda , Tekin Adem , Nesper Reinhard
Published: November 2018

Lithiation of MoS2/RGO (reduced graphite oxide) electrodes repeatedly reached experimental capacities larger than 1000 mA·g–1, corresponding to at least 6 lithium equivalents per gram of MoS2. At our best knowledge, a convincing explanation is still missing in literature. In most cases, phase separation into Li2S and elemental Mo was assumed to occur. However, this can only explain capacities up to 669 mA·g–1, corresponding to an exchange of four Li. Formation of LiMo alloys could resolve the problem but the Li/Mo system does not contain any binary phases. If signs for Li2S formation were found, indeed experimental capacities were below 700 mAh·g–1. Here we present a topochemical mechanism, which sustains multiple charge/discharge cycles at 1000 mAh·g–1, corresponding to an exchange of at least 6 Li per formula unit MoS2. This topochemical reaction route prevents decomposition into binary phases and thus avoids segregation of the components of MoS2. Throughout the whole lithiation/delithiation process, distinct layers of Mo are preserved but extended or shrunk by slight movements and reshuffling of sulfur and lithium atoms. On addition of 6 Li per formula unit to MoS2, all central sulfur atoms are hosted in mutual Mo–S layers such that formal S2– and Mo2– anions appear coordinated by lithium cations. Indeed, similar structures are known in the field of Zintl phases. Our first‐principles crystal structure prediction study describes this topological path through conversion reactions during the lithiation/delithiation processes. All optimized phases along the topological path exhibit a distinct Mo layering giving rise to a series of dominant scattering into pseudo 001 reflections perpendicular to these Mo planes. The mechanism we present here explains why such high capacities can be reached reversibly for MoS2/RGO nano composites
Syntheses, Structures, and Catalytic Properties of Three Copper(II) Coordination Polymers Based on 2,3,5,6‐Tetrafluoro‐1,4‐bis(triazole‐ylmethyl)benzene and Benzene Carboxylate Ligands
Authors: Tian Feng , Shen Nan , Chen Sheng‐Chun , Jiang Li‐Ting , Chen Qun , He Ming‐Yang
Published: November 2018

Three new mixed‐ligand coordination polymers of CuII, namely, [Cu(Fbtx)(L1)(H2O)]n (1), [Cu(Fbtx)0.5(HL2)(H2O)2]n (2), and {[Cu(Fbtx)1.5(HL3)(H2O)]·H2O}n (3) [Fbtx = 2,3,5,6‐tetrafluoro‐1,4‐bis(1,2,4‐triazole‐1‐ylmethyl)benenze, H2L1 = terephthalic acid, H3L2 = trimesic acid, NaH2L3 = 5‐sulfoisophthalic acid monosodium salt], were hydrothermally synthesized and structurally characterized by elemental analysis, IR spectra, and single‐crystal and powder X‐ray diffraction techniques. All the complexes have a two‐dimensional (2D) coordination layer structure. Of these, 1 displays a planar 44‐sql structure whereas both 2 and 3 are highly undulated 63‐hcb nets. Moreover, their thermal stability and catalytic behaviors in the aerobic oxidation of 4‐methoxybenzyl alcohol were also investigated as well. The results indicate that the benzene dicarboxylate ligands have an effective influence on the structures and catalytic properties of the resulting coordination polymers.