bluuebunny/crossref_metadata_2025 huggingface dataset:
Integration of microRNA and mRNA expression profiles in the skin of systemic sclerosis patients
Authors: Zhou Bin , Zuo Xiao Xia , Li Yi Sha , Gao Si Ming , Dai Xiao Dan , Zhu Hong Lin , Luo Hui
Published: February 2017

MicroRNAs (miRNAs) play important roles in the fibrosis of systemic sclerosis (SSc). However, the underlying miRNA-mRNA regulatory network is not fully understood. A systemic investigation of the role of miRNAs would be very valuable for increasing our knowledge of the pathogenesis of SSc. Here, we combined miRNA and mRNA expression profiles and bioinformatics analyses and then performed validation experiments. we identified 21 miRNAs and 2698 mRNAs that were differentially expressed in SSc. Among these, 17 miRNAs and their 33 target mRNAs (55 miRNA-mRNA pairs) were involved in Toll-like receptor, transforming growth factor β and Wnt signalling pathways. Validation experiments revealed that miR-146b, miR-130b, miR-21, miR-31 and miR-34a levels were higher whereas miR-145 levels were lower in SSc skin tissues and fibroblasts, normal fibroblasts and endothelial cells that were stimulated with SSc serum. ACVR2B, FZD2, FZD5 and SOX2 levels were increased in SSc skin fibroblasts, normal fibroblasts and endothelial cells that were stimulated with SSc serum. We did not identify any negative correlations among these miRNA-mRNA pairs. miR-21 was specifically expressed at higher levels in SSc serum. Six miRNAs and 4 mRNAs appear to play important roles in the pathogenesis of SSc are worth investigating in future functional studies.
Ambient Ultrafine Particle Ingestion Alters Gut Microbiota in Association with Increased Atherogenic Lipid Metabolites
Authors: Li Rongsong , Yang Jieping , Saffari Arian , Jacobs Jonathan , Baek Kyung In , Hough Greg , Larauche Muriel H. , Ma Jianguo , Jen Nelson , Moussaoui Nabila , Zhou Bill , Kang Hanul , Reddy Srinivasa , Henning Susanne M. , Campen Matthew J. , Pisegna Joseph , Li Zhaoping , Fogelman Alan M. , Sioutas Constantinos , Navab Mohamad , Hsiai Tzung K.
Published: February 2017

Ambient particulate matter (PM) exposure is associated with atherosclerosis and inflammatory bowel disease. Ultrafine particles (UFP, dp < 0.1–0.2 μm) are redox active components of PM. We hypothesized that orally ingested UFP promoted atherogenic lipid metabolites in both the intestine and plasma via altered gut microbiota composition. Low density lipoprotein receptor-null (Ldlr−/−) mice on a high-fat diet were orally administered with vehicle control or UFP (40 μg/mouse/day) for 3 days a week. After 10 weeks, UFP ingested mice developed macrophage and neutrophil infiltration in the intestinal villi, accompanied by elevated cholesterol but reduced coprostanol levels in the cecum, as well as elevated atherogenic lysophosphatidylcholine (LPC 18:1) and lysophosphatidic acids (LPAs) in the intestine and plasma. At the phylum level, Principle Component Analysis revealed significant segregation of microbiota compositions which was validated by Beta diversity analysis. UFP-exposed mice developed increased abundance in Verrocomicrobia but decreased Actinobacteria, Cyanobacteria, and Firmicutes as well as a reduced diversity in microbiome. Spearman’s analysis negatively correlated Actinobacteria with cecal cholesterol, intestinal and plasma LPC18:1, and Firmicutes and Cyanobacteria with plasma LPC 18:1. Thus, ultrafine particles ingestion alters gut microbiota composition, accompanied by increased atherogenic lipid metabolites. These findings implicate the gut-vascular axis in a atherosclerosis model.
Quantitative evaluation on the characteristics of activated sludge granules and flocs using a fuzzy entropy-based approach
Authors: Fang Fang , Qiao Li-Li , Ni Bing-Jie , Cao Jia-Shun , Yu Han-Qing
Published: February 2017

Activated sludge granules and flocs have their inherent advantages and disadvantages for wastewater treatment due to their different characteristics. So far quantitative information on their evaluation is still lacking. This work provides a quantitative and comparative evaluation on the characteristics and pollutant removal capacity of granules and flocs by using a new methodology through integrating fuzzy analytic hierarchy process, accelerating genetic algorithm and entropy weight method. Evaluation results show a higher overall score of granules, indicating that granules had more favorable characteristics than flocs. Although large sized granules might suffer from more mass transfer limitation and is prone to operating instability, they also enable a higher level of biomass retention, greater settling velocity and lower sludge volume index compared to flocs. Thus, optimized control of granule size is essential for achieving good pollutant removal performance and simultaneously sustaining long-term stable operation of granule-based reactors. This new integrated approach is effective to quantify and differentiate the characteristics of activated sludge granules and flocs. The evaluation results also provide useful information for the application of activated sludge granules in full-scale wastewater treatment plants.
Sleep Supports the Slow Abstraction of Gist from Visual Perceptual Memories
Authors: Lutz Nicolas D. , Diekelmann Susanne , Hinse-Stern Patricia , Born Jan , Rauss Karsten
Published: February 2017

Sleep benefits the consolidation of individual episodic memories. In the long run, however, it may be more efficient to retain the abstract gist of single, related memories, which can be generalized to similar instances in the future. While episodic memory is enhanced after one night of sleep, effective gist abstraction is thought to require multiple nights. We tested this hypothesis using a visual Deese-Roediger-McDermott paradigm, examining gist abstraction and episodic-like memory consolidation after 20 min, after 10 hours, as well as after one year of retention. While after 10 hours, sleep enhanced episodic-like memory for single items, it did not affect gist abstraction. One year later, however, we found significant gist knowledge only if subjects had slept immediately after encoding, while there was no residual memory for individual items. These findings indicate that sleep after learning strengthens episodic-like memories in the short term and facilitates long-term gist abstraction.
Novel Preoperative Nomogram for Prediction of Futile Resection in Patients Undergoing Exploration for Potentially Resectable Intrahepatic Cholangiocarcinoma
Authors: Nam Kwangwoo , Hwang Dae Wook , Shim Ju Hyun , Song Tae Jun , Lee Sang Soo , Seo Dong-Wan , Lee Sung Koo , Kim Myung-Hwan , Kim Ki-Hun , Hwang Shin , Park Kwang-Min , Lee Young-Joo , Han Minkyu , Park Do Hyun
Published: February 2017

Surgical resection is the treatment of choice for intrahepatic cholangiocarcinoma (IHCC). However, discrepancies between preoperative workup and intraoperative findings can occur, resulting in unexpected and unfavorable surgical outcomes. The aim of this study was to develop a feasible preoperative nomogram to predict futile resection of IHCC. A total of 718 patients who underwent curative-intent surgery for IHCC between January 2005 and December 2014 were included. The patients were divided into a training cohort (2005–2010, n = 377) and validation cohort (2011–2014, n = 341). The predictive accuracy and discriminative ability of the nomogram were determined by the concordance index and calibration curves. In multivariate analysis of the training cohort, tumor number, lymph node enlargement, presence of intrahepatic duct stones, and elevated neutrophil-to-lymphocyte ratio (NLR) (≥2.7) were independently correlated with the risk of futile resection. The predictive nomogram was established based on these factors. The concordance index of the nomogram for the training and the validation cohorts was 0.847 and 0.740, respectively. In this nomogram, the negative predictive value (128 points, probability of futile resection of 36%) in the validation cohort was 93.3%. In conclusion, our novel preoperatively applicable nomogram is a feasible method to predict futile resection of IHCC in curative-intent surgery.
Bisphosphonates enhance antitumor effect of EGFR-TKIs in patients with advanced EGFR mutant NSCLC and bone metastases
Authors: Zhang Guowei , Cheng Ruirui , Zhang Zengli , Jiang Tao , Ren Shengxiang , Ma Zhiyong , Zhao Sha , Zhou Caicun , Zhang Jun
Published: February 2017

Whether bisphosphonates could enhance the effect of epidermal growth factor receptor (EGFR)-tyrosine kinase inhibitors (TKIs) in non-small-cell lung cancer (NSCLC) patients with EGFR mutation and bone metastases (BM) remains unknown. EGFR mutation status were collected from 1560 patients with NSCLC and BM. 356 NSCLC patients with EGFR mutation and BM were identified. Among them, 91 patients received EGFR-TKIs alone and 105 patients received EGFR-TKIs plus bisphosphonates as first-line therapy. Comparing to TKIs alone, EGFR-TKIs plus bisphosphonates had a statistically significant longer progression-free survival (PFS: 11.6 vs. 9.3 months; HR = 0.68, P = 0.009), while a similar overall survival (OS: 20.5 vs. 19.5 months; HR = 0.95, P = 0.743) in patients with EGFR-mutant NSCLC and BM. The incidence of skeletal-related events in combined group was numerically lower than that in EGFR-TKIs alone group (29.7% vs. 39.4%, P = 0.147). In multivariate analysis, EGFR mutation was found to be a significant independent prognostic factor for OS in NSCLC patients with BM (HR = 0.710, P = 0.021). In conclusion, EGFR mutation was the significant independent prognostic factor for OS and the addition of bisphosphonates to EGFR-TKIs could enhance the antitumor effect of EGFR-TKIs in patients with EGFR-mutant NSCLC and BM.
Differences in the Clinical Characteristics of Early- and Late-Onset Necrotizing Enterocolitis in Full-Term Infants: A Retrospective Case-Control Study
Authors: Li Qiu-Yu , An Yao , Liu Li , Wang Xue-Qiu , Chen Shi , Wang Zheng-Li , Li Lu-Quan
Published: February 2017

Information regarding the influence of age at onset on prognosis in full-term infants with necrotizing enterocolitis (NEC) is limited, and identifying differences between the clinical characteristics of early-onset NEC (EO-NEC) and late-onset NEC (LO-NEC) may be helpful in the determination of effective management strategies. In the present study, the medical records of 253 full-term infants with NEC were reviewed, and the clinical characteristics of the EO-NEC group (n = 150) and the LO-NEC group (n = 103) were compared. Infants in the EO-NEC group were characterized by increased gestational age and higher rates of stage III NEC and peritonitis when compared with LO-NEC infants (P  < 0.05). Mortality was significantly associated with stage III NEC, peritonitis, sepsis, respiratory failure and shock in univariate analysis (P < 0.05). In logistic regression analysis, peritonitis and renal failure were identified as independent risk factors for mortality in infants with EO-NEC, and peritonitis and respiratory failure were significant predictors of mortality in neonates with LO-NEC. Our finding indicated that the characteristics of the severe medical conditions identified in infants with EO-NEC were distinct from those observed in infants with LO-NEC. Peritonitis and kidney failure and peritonitis and respiratory failure were identified as risk factors for mortality in EO-NEC and LO-NEC infants, respectively.
High efficient OLED displays prepared with the air-gapped bridges on quantum dot patterns for optical recycling
Authors: Kim Hyo-Jun , Shin Min-Ho , Kim Joo-Suc , Kim Se-Eun , Kim Young-Joo
Published: February 2017

An optically efficient structure was proposed and fabricated to realize high brightness organic light emitting diode (OLED) displays based on a white OLED prepared with the air-gapped bridges on the quantum dot (QD) patterns. Compared with a conventional white OLED display, in our experiments, the optical intensity of the proposed OLED display shows the enhancement of 58.2% in the red color and 16.8% in the green color after applying the air-gapped bridge structure on QD patterns of 20 wt% concentration. This enhancement comes from the two facts that the QD patterns downconvert unnecessary blue or blue/green light to the required green or red light and the air-gapped bridges increase the color conversion efficiency of QDs by optical recycling using total internal reflection (TIR) at the interface. In addition, the color gamut of the proposed OLED display increases from 65.5 to 75.9% (NTSC x, y ratio) due to the narrow emission spectra of QDs.
A new model for in situ nitrogen incorporation into 4H-SiC during epitaxy
Authors: Ferro Gabriel , Chaussende Didier
Published: February 2017

Nitrogen doping of 4H-SiC during vapor phase epitaxy is still lacking of a general model explaining the apparently contradictory trends obtained by different teams. In this paper, the evolutions of nitrogen incorporation (on both polar Si and C faces) as a function of the main growth parameters (C/Si ratio, temperature, pressure and growth rate) are reviewed and explained using a model based on surface exchanges between the gas phase and the uppermost 4H-SiC atomic layers. In this model, N incorporation is driven mainly by the transient formation of C vacancies, due to H2 etching, at the surface or near the surface. It is shown that all the growth parameters are influencing the probability of C vacancies formation in a similar manner as they do for N incorporation. The surface exchange model proposes a new framework for explaining the experimental results even beyond the commonly accepted reactor type dependency.
Synthesis and structure of synthetically pure and deuterated amorphous (basic) calcium carbonates
Authors: Wang Hsiu-Wen , Daemen Luke L. , Cheshire Michael C. , Kidder Michelle K. , Stack Andrew G. , Allard Lawrence F. , Neuefeind Jörg , Olds Daniel , Liu Jue , Page Katharine
Published: February 2017

The first neutron PDF data on deuterated A(B)CC, shedding new light on H(D)-bearing species in controlling polyamorphism and crystallization processes.
Fe3O4@ZIF-8: a magnetic nanocomposite for highly efficient UO22+ adsorption and selective UO22+/Ln3+ separation
Authors: Min Xue , Yang Weiting , Hui Yuan-Feng , Gao Chao-Ying , Dang Song , Sun Zhong-Ming
Published: February 2017

Fe3O4@ZIF-8 nanoparticles with outstanding UO22+ adsorption capacity and selectivity for lanthanide ions could be simply separated by magnet from a solution containing lanthanide ions.
Self-assembly of cucurbit[7]uril based triangular [4]molecular necklaces and their fluorescence properties
Authors: Samanta Soumen K. , Brady Kimberly G. , Isaacs Lyle
Published: February 2017

We report the synthesis of rigid rod (bis)dipyridinium ligand 1 and its self-assembly in the presence of M(en)(NO3)2 (M = Pd, Pt) and cucurbit[7]uril or motor 2 (M2) to yield triangular [4]molecular necklaces 7–10.
Metal-passivated PbS nanoparticles: fabrication and characterization
Authors: Tchaplyguine M. , Mikkelä M.-H. , Mårsell E. , Polley C. , Mikkelsen A. , Zhang W. , Yartsev A. , Hetherington C. J. D. , Wallenberg L. R. , Björneholm O.
Published: February 2017

Metal-passivated PbS nanoparticles promising to improve carrier transport in quantum-dot solar cells are produced and are characterized layer-by-layer.
A DFT+U investigation of hydrogen adsorption on the LaFeO3(010) surface
Authors: Boateng Isaac W. , Tia Richard , Adei Evans , Dzade Nelson Y. , Catlow C. Richard A. , de Leeuw Nora H.
Published: February 2017

Lanthanum ferrite (LaFeO3) is a technologically important electrode material for nickel–metal hydride batteries, energy storage and catalysis. In the present study, we have employed spin-polarized density functional theory calculations, with the HubbardUcorrection (DFT+U), to unravel the adsorption mechanism of H2on the LaFeO3(010) surface.
Simultaneous covalent and noncovalent carbon nanotube/Ag3PO4hybrids: new insights into the origin of enhanced visible light photocatalytic performance
Authors: Zhang Zhaogang , Huang Wei-Qing , Xie Zhong , Hu Wangyu , Peng Ping , Huang Gui-Fang
Published: February 2017

The proposed mechanisms for the enhancement of photocatalysis in the CNT/Ag3PO4composites.
Nanostructured material-based biofuel cells: recent advances and future prospects
Authors: Zhao Cui-e , Gai Panpan , Song Rongbin , Chen Ying , Zhang Jianrong , Zhu Jun-Jie
Published: February 2017

The review provides comprehensive discussions about electrode materials of BFCs and prospects of this technology for real-word applications.
The synergistic effect of H2O and DMF towards stable and 20% efficiency inverted perovskite solar cells
Authors: Chiang Chien-Hung , Nazeeruddin Mohammad Khaja , Grätzel Michael , Wu Chun-Guey
Published: February 2017

A high quality thick (500 nm) CH3NH3PbI3perovskite absorber with a horizontal grain size up to 3 μm and a lateral size equal to the film thickness was prepared by the synergistic effect of a H2O additive and DMF vapor treatmentviaa two-step spin coating method.
(Q)SARs to predict environmental toxicities: current status and future needs
Authors: Cronin Mark T. D.
Published: February 2017

An assessment of (Q)SARs to predict acute and chronic ecotoxicity.
Strain–capacitance relationship in polymer actuators based on single-walled carbon nanotubes and ionic liquid gels
Authors: Randriamahazaka Hyacinthe , Asaka Kinji
Published: February 2017

We investigate the electromechanical properties of bucky-gel electrochemical actuators incorporating various amounts of single-walled carbon nanotubes and an ionic liquid electrolyte, 1-butyl-3-methylimidazolium tetrafluoroborate, that are able to convert electrochemical energy into mechanical energy. The interplay between mechanical and electrochemical effects is studied. The electromechanical responses are investigated by means of electrochemical impedance spectroscopy and bending displacement measurements. We develop a theoretical model that allows us to rationalize the electromechanical properties of the bucky-gel actuators. This model takes into account electrochemical stress due to the intercalation (de-intercalation) process, which generates the strain and bending of the actuators. We then analyze the relationship between the strain and the real part of the complex capacitance by introducing a strain–capacitance coefficient. This coefficient is related to the electrochemical stress and the amount of the ionic adsorption (desorption) at the double-layer. From a practical point of view, the determination of the strain–capacitance coefficient is helpful for characterizing and optimizing the performance of electrochemical actuators.
Tuning epitaxial graphene sensitivity to water by hydrogen intercalation
Authors: Melios C. , Winters M. , Strupiński W. , Panchal V. , Giusca C. E. , Imalka Jayawardena K. D. G. , Rorsman N. , Silva S. Ravi P. , Kazakova O.
Published: February 2017

The effects of humidity on the electronic properties of quasi-free standing one layer graphene (QFS 1LG) are investigated via simultaneous magneto-transport in the van der Pauw geometry and local work function measurements in a controlled environment.
Structure–activity relationships of the ATP cofactor in ligase-catalysed oligonucleotide polymerisations
Authors: Lei Yi , Hili Ryan
Published: February 2017

Modified ATP cofactors were used to increase the fidelity of T4 DNA ligase-catalysed oligonucleotide polymerisation of modified oligonucleotides.
The effect of cobalt promoter on the CO methanation reaction over MoS2 catalyst: a density functional study
Authors: Zhang Chunyun , Liu Bonan , Wang Yuxian , Zhao Liang , Zhang Jin , Zong Qiuyun , Gao Jinsen , Xu Chunming
Published: February 2017

The potential mechanism of sulfur-resistant CO methanation reaction over Co-MoS2 catalyst was investigated via density functional theory (DFT + D) calculations, and the effect of Co-promoter was studied.
Fabrication of arrayed triangular micro-cavities for SERS substrates using the force modulated indention process
Authors: Yan Yongda , Zhang Jingran , Xu Ping , Miao Peng
Published: February 2017

Based on the tip-based continuous indentation process, a novel method for the fabrication of periodic arrayed triangular micro-cavities on copper (Cu) surface is presented as SERS substrates.
Mo6+activated multimetal oxygen-evolving catalysts
Authors: Liu Peng Fei , Yang Shuang , Zheng Li Rong , Zhang Bo , Yang Hua Gui
Published: February 2017

An amorphous multimetal FeCoMo OER catalyst has been successfully synthesized, activated by high-valence Mo6+, evidencing superior performance over benchmarking IrO2.
Acid/base triggered interconversion of μ-η2:η2-peroxido and bis(μ-oxido) dicopper intermediates capped by proton-responsive ligands
Authors: Goswami V. E. , Walli A. , Förster M. , Dechert S. , Demeshko S. , Holthausen M. C. , Meyer F.
Published: February 2017

Key peroxido and bis(μ-oxido) Cu2/O2 intermediates can be interconverted by peripheral (de)protonation events on the ligand backbone.
Artificial disulfide-rich peptide scaffolds with precisely defined disulfide patterns and a minimized number of isomers
Authors: Zheng Yiwu , Li Zhuoru , Ren Jing , Liu Weidong , Wu Yaqi , Zhao Yibing , Wu Chuanliu
Published: February 2017

We report the design and synthesis of artificial disulfide-rich peptide scaffolds with precisely defined disulfide patterns and a minimized number of isomers.
From Ru nanoparticle-encapsulated metal–organic frameworks to highly catalytically active Cu/Ru nanoparticle-embedded porous carbon
Authors: Pachfule Pradip , Yang Xinchun , Zhu Qi-Long , Tsumori Nobuko , Uchida Takeyuki , Xu Qiang
Published: February 2017

High-temperature pyrolysis of Ru nanoparticle-encapsulated MOF (Ru@HKUST-1) afforded ultrafine Cu/Ru nanoparticle-embedded porous carbon composites (Cu/Ru@C), which show high catalytic activity for ammonia borane hydrolysis.
Electron microscopy for inorganic-type drug delivery nanocarriers for antitumoral applications: what does it reveal?
Authors: Baeza A. , Castillo R. R. , Torres-Pardo A. , González-Calbet J. M. , Vallet-Regí M.
Published: February 2017

Electron microscopy applied to the development of inorganic nanoparticles for clinical applications.
The study of the pseudo-polyrotaxane architecture as a route for mild surface functionalization by click chemistry of poly(ε-caprolactone)-based electrospun fibers
Authors: Oster M. , Schlatter G. , Gallet S. , Baati R. , Pollet E. , Gaillard C. , Avérous L. , Fajolles C. , Hébraud A.
Published: February 2017

PCL fibers with pseudopolyrotaxanes at their surface are functionalized with bicyclononyne clickable groups making possible an easy bioconjugation in water and without copper catalysts for biomedical applications.
Terbium-induced phase transitions and weak ferromagnetism in multiferroic bismuth ferrite ceramics
Authors: Koval Vladimir , Skorvanek Ivan , Durisin Juraj , Viola Giuseppe , Kovalcikova Alexandra , Svec Peter , Saksl Karel , Yan Haixue
Published: February 2017

The increasing addition of Tb in the system Bi1−xTbxFeO3 produces a progressive modification of the crystal structure from rhombohedral R3c to orthorhombic Pnma which results in the appearance and enhancement of the net magnetization, with the composition x ≈ 0.15–0.20 being a promising candidate for magnetoelectric applications.
Phenyl substitution in tetracene: a promising strategy to boost charge mobility in thin film transistors
Authors: Xu Wenjun , He Yaowu , Murtaza Imran , Zhang Dongwei , Li Aiyuan , Hu Zhao , Zeng Xingwei , Guo Yitong , Zhu Yanan , Liu Ming , Meng Hong
Published: February 2017

Two new tetracene derivatives C12-Ph-TET and Ph-TET have been synthesized, showing high mobilities.
Orthogonal switching in four-state azobenzene mixed-dimers
Authors: Zhao Fangli , Grubert Lutz , Hecht Stefan , Bléger David
Published: February 2017

Azobenzene mixed-dimer rods have been prepared, whose four isomers can be orthogonally addressed with light and electrons.
A solvent-free dense energetic metal–organic framework (EMOF): to improve stability and energetic performance via in situ microcalorimetry
Authors: Zhang Yinli , Zhang Sheng , Sun Lin , Yang Qi , Han Jing , Wei Qing , Xie Gang , Chen Sanping , Gao Shengli
Published: February 2017

An interpenetrating EMOF without solvent molecules, which possess high stability and outstanding energetic properties, was obtained.
A pure DNA hydrogel with stable catalytic ability produced by one-step rolling circle amplification
Authors: Huang Yishun , Xu Wanlin , Liu Guoyuan , Tian Leilei
Published: February 2017

Rolling circle amplification for cost-effective and facile fabrication of a pure DNA hydrogel with highly improved catalytic stability.
An unexpected use of ferrocene. A scanning electrochemical microscopy study of a toll-like receptor array and its interaction with E. coli
Authors: She Zhe , Topping Kristin , Dong Bin , Shamsi Mohtashim H. , Kraatz Heinz-Bernhard
Published: February 2017

Toll-like receptor microarrays were investigated by scanning electrochemical microscopy with enhanced contrast from using ferrocene derivatives.
The role of charge transfer in the stability and reactivity of chemical systems from experimental findings
Authors: Falcinelli S. , Candori P. , Pirani F. , Vecchiocattivi F.
Published: February 2017

Phenomena are described within a unifying picture, by isolating charge/electron transfer as an interaction component triggering chemical reactivity.
Upper tropospheric water vapour and its interaction with cirrus clouds as seen from IAGOS long-term routine in situ observations
Authors: Petzold Andreas , Krämer Martina , Neis Patrick , Rolf Christian , Rohs Susanne , Berkes Florian , Smit Herman G. J. , Gallagher Martin , Beswick Karl , Lloyd Gary , Baumgardner Darrel , Spichtinger Peter , Nédélec Philippe , Ebert Volker , Buchholz Bernhard , Riese Martin , Wahner Andreas
Published: February 2017

IAGOS (In-service Aircraft for a Global Observing System) performs long-term routinein situobservations of atmospheric chemical composition (O3, CO, NOx, NOy, CO2, CH4), water vapour, aerosols, clouds, and temperature on a global scale by operating compact instruments on board of passenger aircraft. The unique characteristics of the IAGOS data set originate from the global scale sampling on air traffic routes with similar instrumentation such that the observations are truly comparable and well suited for atmospheric research on a statistical basis. Here, we present the analysis of 15 months of simultaneous observations of relative humidity with respect to ice (RHice) and ice crystal number concentration in cirrus (Nice) from July 2014 to October 2015. The joint data set of 360 hours of RHice–Niceobservations in the global upper troposphere and tropopause region is analysed with respect to the in-cloud distribution of RHiceand related cirrus properties. The majority of the observed cirrus is thin withNice< 0.1 cm−3. The respective fractions of all cloud observations range from 90% over the mid-latitude North Atlantic Ocean and the Eurasian Continent to 67% over the subtropical and tropical Pacific Ocean. The in-cloud RHicedistributions do not depend on the geographical region of sampling. Types of cirrus origin (in situorigin, liquid origin) are inferred for differentNiceregimes and geographical regions. Most importantly, we found that in-cloud RHiceshows a strong correlation toNicewith slightly supersaturated dynamic equilibrium RHiceassociated with higherNicevalues in stronger updrafts.
Identification of high performance solvents for the sustainable processing of graphene
Authors: Salavagione H. J. , Sherwood J. , De bruyn M. , Budarin V. L. , Ellis G. J. , Clark J. H. , Shuttleworth P. S.
Published: February 2017

Combined computational screening and practical assessment of >10 000 solvents for the sustainable liquid exfoliation of graphite to graphene.
New high performance digital memory devices fabricated with DNA and DNA-mimics
Authors: Lee Jinseok , Kim Yongjin , Kim Changsub , Ree Moonhor
Published: February 2017

We report the first digital nonvolatile memory devices fabricated with DNA and DNA-mimicking brush polymers.
An introduction to ratchets in chemistry and biology
Authors: Lau Bryan , Kedem Ofer , Schwabacher James , Kwasnieski Daniel , Weiss Emily A.
Published: February 2017

This article describes the functions and mechanisms of particle and electron ratchets, and the interplay between theory and experiment in this field of non-equilibrium transport.
Probing the structural basis and adsorption mechanism of an enzyme on nano-sized protein carriers
Authors: Pan Yanxiong , Neupane Sunanda , Farmakes Jasmin , Bridges Michael , Froberg James , Rao Jiajia , Qian Steven Y. , Liu Guodong , Choi Yongki , Yang Zhongyu
Published: February 2017

EPR spectroscopy reveals the structural basis of the activity loss of an enzyme and how it docks onto silica nanoparticles.
Synthesis of 3-((arylsulfonyl)methyl)indolin-2-ones via insertion of sulfur dioxide using anilines as the aryl source
Authors: Liu Tong , Zheng Danqing , Wu Jie
Published: February 2017

Facile assembly of 3-((arylsulfonyl)methyl)indolin-2-ones via insertion of sulfur dioxide starting from anilines, N-arylacrylamides and DABCO·(SO2)2 is realized.
Fully conjugated ladder polymers
Authors: Lee Jongbok , Kalin Alexander J. , Yuan Tianyu , Al-Hashimi Mohammed , Fang Lei
Published: February 2017

Syntheses, properties and applications of fully conjugated ladder polymers are reviewed, together with an outlook to future opportunities and challenges.
Three-dimensional graphene-based nanocomposites for high energy density Li-ion batteries
Authors: Liu Jin-Yun , Li Xue-Xue , Huang Jia-Rui , Li Jin-Jin , Zhou Ping , Liu Jin-Huai , Huang Xing-Jiu
Published: February 2017

Three-dimensional graphene-based nanocomposites for high energy density Li-ion batteries are summarized comprehensively including the challenges, recent progresses, and perspectives.
Electroporation for nanomedicine: a review
Authors: Kim Kisoo , Lee Won Gu
Published: February 2017

Here, we present a review of recent advances in electroporation for the delivery of nanomedicine as intracellular carriers by electroporation (NICE) in a drug format with functional nanoparticles.
A NIR fluorescent chemodosimeter for imaging endogenous hydrogen polysulfides via the CSE enzymatic pathway
Authors: Ma Jianhua , Fan Jiangli , Li Haidong , Yao Qichao , Xu Feng , Wang Jingyun , Peng Xiaojun
Published: February 2017

Sodium polysulfides (Na2Sn, n > 1) as important raw materials in the chemical industry can afford hydrogen polysulfides (H2Sn, n > 1) under physiological conditions.
Morphological regulation improved electrical conductivity and electromagnetic interference shielding in poly(l-lactide)/poly(ε-caprolactone)/carbon nanotube nanocomposites via constructing stereocomplex crystallites
Authors: Zhang Kai , Yu Hai-Ou , Shi Yu-Dong , Chen Yi-Fu , Zeng Jian-Bing , Guo Jiang , Wang Bin , Guo Zhanhu , Wang Ming
Published: February 2017

Morphological regulation induced by stereocomplex crystallites was used to design PLLA-based composites with enhanced electrical conductivity and EMI shielding.
Thermally activated delayed fluorescence emitters with a m,m-di-tert-butyl-carbazolyl benzoylpyridine core achieving extremely high blue electroluminescence efficiencies
Authors: Rajamalli Pachaiyappan , Thangaraji Vasudevan , Senthilkumar Natarajan , Ren-Wu Chen-Cheng , Lin Hao-Wu , Cheng Chien-Hong
Published: February 2017

High performance blue OLEDs with maximum EQEs over 28% are achieved from TADF emitters by fine tuning the acceptor unit.
Imposed curvature of an elastic-plastic strip: application to simulation of coils
Authors: Weisz-Patrault D. , Ehrlacher A.
Published: February 2017

This work is part of the framework of a fast modeling of winding aiming at improving knowledge of residual stress evolution in steel strips and therefore their flatness during the coiling process. An exact analytical solution of an elastic-plastic strip with isotropic hardening at finite strains under an imposed transformation of curvature is developed. Issues related to flow rules for non-differentiable yield functions (Tresca) have been broached and a unique solution is obtained. The equivalence for this transformation, between von Mises and Tresca yield functions is demonstrated. This solution contributes to an efficient model by terms of computation times that aims at simulating coiling by taking into account inelastic deformations and enabling parametric studies in order to improve the process.
Tethered NHC Ligands for Stereoselective Alkyne Semihydrogenations
Authors: Pape Felix , Teichert Johannes
Published: February 2017

A copper(I)-catalyzed semihydrogenation of internal alkynes has been developed. A variety of oxygen- and nitrogen-tethered N-heterocyclic carbene (NHC) complexes have been investigated, leading to a highly Z-selective transformation. The catalyst is generated from inexpensive copper(I) chloride in situ and allows catalytic semihydrogenation down to 10 bar H2.
The July Effect on Maternal Peripartum Complications before and after Resident Duty Hour Reform: A Population-Based Retrospective Cohort Study
Authors: Peltan Ithan , Brown Crystal , Burke Alson , Chow Eric , Rowhani-Rahbar Ali , Crull Matthew
Published: February 2017

Objective To compare maternal birth complications early versus late in the academic year and to evaluate the impact of resident work hour limitation on the “July effect.”

Study Design We conducted a retrospective, population-based cohort study of 628,414 singleton births in Washington State from 1987 to 2012 measuring the adjusted risk of maternal peripartum complications early (July/August) versus late (April/May) in the academic year. To control for seasonal outcome variation unrelated to trainees' involvement in care as well as long-term trends in maternal complications unrelated to variation in trainees' effect on outcomes across the academic year, we employed difference-in-differences methods contrasting outcomes at teaching to nonteaching hospitals for deliveries before and after restriction of resident work hours in July 2003.

Results Prior to resident work hour limitation in July 2003, women delivering early in the academic year at teaching hospitals suffered more complications (relative risk [RR] 1.05; 95% confidence interval [CI]: 1.00–1.09; p = 0.03). After July 2003, complication risk did not vary significantly across the academic year except at teaching-intensive hospitals, where July/August deliveries experienced fewer complications (RR: 0.95; 95% CI: 0.92–0.98; p = 0.001).

Conclusion Women delivering at teaching hospitals early in the academic year suffered a modest but significant increase in complications before but not after resident work hour reform.
Variation in the Hearing Threshold in Women during the Menstrual Cycle
Authors: Souza Dayse , Luckwu Brunna , Andrade Wagner , Pessoa Luciane , Nascimento João , Rosa Marine
Published: February 2017

Introduction The hormonal changes that occur during the menstrual cycle and their relationship with hearing problems have been studied. However, they have not been well explained.

Objective The objective of our study is to investigate the variation in hearing thresholds in women during the menstrual cycle.

Method We conducted a cohort and longitudinal study. It was composed of 30 volunteers, aged 18–39 years old, of which 20 were women during the phases of the menstrual cycle and 10 were men (control group) who underwent audiometry and impedance exams, to correlate the possible audiological changes in each phase of the menstrual cycle.

Results There were significant changes in hearing thresholds observed during the menstrual cycle phases in the group of women who used hormonal contraceptives and the group who did not use such contraceptives. Improved hearing thresholds were observed in the late follicular phase in the group who did not use hormonal contraceptives and the hearing thresholds at high frequencies were better. Throughout the menstrual cycle phases, the mean variation was 3.6 db HL between weeks in the group who used hormonal contraceptives and 4.09 db HL in the group who did not use them.

Conclusions The present study found that there may be a relationship between hearing changes and hormonal fluctuations during the menstrual cycle based on changes in the hearing thresholds of women. In addition, this study suggests that estrogen has an otoprotective effect on hearing, since the best hearing thresholds were found when estrogen was at its maximum peak.
Evaluation of the Efficacy and Tolerability of Oral Ciprofloxacin used in the Comprehensive Treatment of External Bacterial Otitis: An Observational Prospective Study
Authors: Gurov Alexander , Kriukov Andrey , Kunelskaya Vera , Isotova Galina , Shadrin Georgiy , Luchsheva Yuliya , Yakimov Vladislav , Garg Amit , Akku Shyam , Gupta Namita
Published: February 2017

Introduction Otitis Externa is common ear infection with a prevalence of 1%.

Objective The objective of this study is to evaluate the clinical and microbiological efficacy and safety profile with oral ciprofloxacin in the external bacterial otitis (EBO) management.

Methods This is a prospective observational study conducted with EBO outpatients referred to the otorhinolaryngology center in Moscow between March and August 2013. Our study included patients from two cohorts, acute external bacterial otitis (AEBO) - Group 1 - and exacerbation of chronic otitis externa (CEBO) - Group 2. We administered Ciprofloxacin 500 mg twice daily with standard topical EBO treatment for up to 10 days. Patients underwent evaluation on study visit days 1, 3, 5, and 10 for the severity. Bacteriological examination of ear canal cultures took place on Day 1 and Day 10.

Results We collected data from 60 EBO outpatients (AEBO: N = 30 and CEBO: N = 30). Swimming was the major risk factor associated with the disease in addition to the most common pathogenic organisms - Staphylococcus aureus and Pseudomonas aeruginosa. was We attained complete resolution of the inflammatory process in 28 (93%) and 27 (90%) patients in the AEBO and CEBO group, respectively. We confirmed this by microbiological test with almost complete eradication of the causative organisms. Overall, we observed good positive dynamics of ear canal with no major side effects.

Conclusion We found that Ciprofloxacin 500 mg, when administered orally twice daily for 7 to 10 days in otitis externa patients is clinically and microbiologically effective and comparatively safer than other antimicrobials.
Epidemiology and Estimated Cost of Surgery for Cubital Tunnel Syndrome Conducted by the Unified Health System in Brazil (2005–2015)
Authors: Magalhães Marcelo , Bernardes Gabriella , Nunes Aline , Castro Denilson , Oliveira Luiza , Basílio Marcos
Published: February 2017

Introduction Cubital tunnel syndrome (CTS) is responsible for one of the types of ulnar nerve neuropathy and is the second cause of compressive neuropathy of the upper limb, only surpassed by carpal tunnel syndrome.

Objective To describe the epidemiological data of the ulnar nerve transposition surgical code in the treatment of CTS by the United Health System (SUS) from 2005 to 2015.

Methodology This is a descriptive epidemiological study, in which data were obtained through consultation of the DATASUS database.

Results/Discussion During this period, 774 procedures were performed and, despite the addition of 20.3 million people to the Brazilian population, the incidence was 0.33/1,000,000. National and international epidemiology point to a slightly higher prevalence of the procedure between men, in the fourth and fifth decades of life. Low permanence rate, as well as the absence of hospital deaths related to the procedure, infer that the procedure is safe, with low morbidity and mortality rates.

Conclusion The annual incidence of the cubital syndrome submitted to surgical treatment at SUS in the Brazilian population was 1/7,670,833 in 2005 and ½,174,468 in 2015. The cost of each surgical procedure during the same period ranged from R$ 318.88 to R$ 539.74. The mean hospitalization time for CTS surgery was 1.85 days.
Preparation and Characterization of Gold Nanoparticles in the Presence of Citrate and Soybean Seed Extract in an Acidic Conditions
Authors: Izadi Ebrahim , Rasooli Ali , Akbarzadeh Abolfazl , Davaran Soodabeh
Published: February 2017

Through the present study, an eco-friendly method was used to synthesize the gold nanoparticles (GNPs) by using the sodium citrate and extract of the soybean seed as reducing the agents at PH 3. X-Ray diffraction (XRD) method was used to evaluate the crystal structure of as-synthesized NPs and it’s revealed that this method leads to well crystallized GNPs. In order to determine the particle size and their distribution, field emission scanning microscopy (FE-SEM) and dynamic light scattering (DLS) were used. The results showed that, the average particle size distribution of synthesized GNPs in solutions containing of the soybean extract and 1% citrate at PH 3 is about 109.6 and 140.9 nm, respectively. Also, we find that the average size of GNPs is 40 and 33 nm from solutions of citrate and soybean extract, respectively. It was concluded that using the extract of soybean seeds as reducing agent can lead to GNPs with small size and narrow size distribution.
The effect of gravity and dimensionality on the impact of cylinders and spheres onto a wall in a viscous fluid
Authors: El Yacoubi Acmae , Xu Sheng , Wang Z. Jane
Published: February 2017

As a solid body approaches a wall in a viscous fluid, the flow in the gap between them is dominated by the viscous effect and can be approximated by the lubrication theory. Here we show that without gravity, a cylinder comes to rest asymptotically at a finite separation from the wall, whereas with gravity, the cylinder approaches the wall asymptotically and contact does not happen in finite time. A cylinder approaches the wall much slower compared to a sphere under matching conditions, implying that the lubrication approximates hold longer before the molecular scale sets in. Our results further serve as a building block for analyzing particle interactions in close proximity, and provide analytic results for integrating the lubrication theory into the computations of Navier-Stokes equations.
Ab initio state-specific N2 + O dissociation and exchange modeling for molecular simulations
Authors: Luo Han , Kulakhmetov Marat , Alexeenko Alina
Published: February 2017

Quasi-classical trajectory (QCT) calculations are used in this work to calculate state-specific N2(X1Σ)+O(3P)→2N(4S)+O(3P) dissociation and N2(X1Σ)+O(3P)→NO(X2Π)+N(4S) exchange cross sections and rates based on the 13A″ and 13A′ ab initio potential energy surface by Gamallo et al. [J. Chem. Phys. 119, 2545–2556 (2003)]. The calculations consider translational energies up to 23 eV and temperatures between 1000 K and 20 000 K. Vibrational favoring is observed for dissociation reaction at the whole range of collision energies and for exchange reaction around the dissociation limit. For the same collision energy, cross sections for v = 30 are 4 to 6 times larger than those for the ground state. The exchange reaction has an effective activation energy that is dependent on the initial rovibrational level, which is different from dissociation reaction. In addition, the exchange cross sections have a maximum when the total collision energy (TCE) approaches dissociation energy. The calculations are used to generate compact QCT-derived state-specific dissociation (QCT-SSD) and QCT-derived state-specific exchange (QCT-SSE) models, which describe over 1 × 106 cross sections with about 150 model parameters. The models can be used directly within direct simulation Monte Carlo and computational fluid dynamics simulations. Rate constants predicted by the new models are compared to the experimental measurements, direct QCT calculations and predictions by other models that include: TCE model, Bose-Candler QCT-based exchange model, Macheret-Fridman dissociation model, Macheret’s exchange model, and Park’s two-temperature model. The new models match QCT-calculated and experimental rates within 30% under nonequilibrium conditions while other models under predict by over an order of magnitude under vibrationally-cold conditions.
Measuring and predicting the diffraction properties of cylindrically bent potassium acid phthalate, KAP(001), crystals
Authors: Haugh M. J. , Jacoby K. D.
Published: February 2017

This report presents the results from measuring the X-ray diffraction properties of a curved potassium acid phthalate (KAP(001)) spectrometer crystal using two measurement methods. One method used a diode type X-ray source and a dual goniometer analysis system, utilizing a flat, perfect KAP(001) crystal as the monochromator. The second method used a synchrotron source and dual crystal Si(111) monochromator. Bent crystals are used in X-ray spectrometers as dispersion elements. These crystals are bent into a circular cylinder section, and this bending can alter the rocking curve properties. The crystal rocking curves were measured for spectral energies ranging from 1250 to 4500 eV. A multi-lamellar model was compared to the measurements and showed good quantitative agreement. This provides a valuable tool for predicting the changes to the KAP (001) for any radius of curvature when the crystal is bent into a cylindrical section.
Electron-nuclear wave-packet dynamics through a conical intersection
Authors: Hader Kilian , Albert Julian , Gross E. K. U. , Engel Volker
Published: February 2017

We investigate the coupled electron-nuclear dynamics in a model system showing a conical intersection (CoIn) between two excited state potential energy surfaces. Within the model, a single electron and nucleus move in two dimensions in an external static field. It is demonstrated that the nuclear density conserves its initial Gaussian shape when directly passing the CoIn, whereas the electronic density remains approximately constant. This is in sharp contrast to the picture which evolves from an analysis within the basis of adiabatic electronic states. There, dramatic changes are seen in the dynamics of the different nuclear components of the total wave function. It is thus documented that, in the case of a highly efficient population transfer between the respective adiabatic states, neither the nuclear nor the electronic density is influenced by the existence of a CoIn. This is the case because the nuclear-electronic wave packet moves on the complete potential energy surface which changes its topology smoothly as a function of all particle coordinates.
Nonadiabatic laser-induced alignment of molecules: Reconstructing ⟨𝖼𝗈𝗌𝟤 θ⟩ directly from ⟨𝖼𝗈𝗌𝟤 θ2D⟩ by Fourier analysis
Authors: Søndergaard Anders Aspegren , Shepperson Benjamin , Stapelfeldt Henrik
Published: February 2017

We present an efficient, noise-robust method based on Fourier analysis for reconstructing the three-dimensional measure of the alignment degree, ⟨cos2θ⟩, directly from its two-dimensional counterpart, ⟨cos2θ2D⟩. The method applies to nonadiabatic alignment of linear molecules induced by a linearly polarized, nonresonant laser pulse. Our theoretical analysis shows that the Fourier transform of the time-dependent ⟨cos2θ2D⟩ trace over one molecular rotational period contains additional frequency components compared to the Fourier transform of ⟨cos2θ⟩. These additional frequency components can be identified and removed from the Fourier spectrum of ⟨cos2θ2D⟩. By rescaling of the remaining frequency components, the Fourier spectrum of ⟨cos2θ⟩ is obtained and, finally, ⟨cos2θ⟩ is reconstructed through inverse Fourier transformation. The method allows the reconstruction of the ⟨cos2θ⟩ trace from a measured ⟨cos2θ2D⟩ trace, which is the typical observable of many experiments, and thereby provides direct comparison to calculated ⟨cos2θ⟩ traces, which is the commonly used alignment metric in theoretical descriptions. We illustrate our method by applying it to the measurement of nonadiabatic alignment of I2 molecules. In addition, we present an efficient algorithm for calculating the matrix elements of cos2θ2D and any other observable in the symmetric top basis. These matrix elements are required in the rescaling step, and they allow for highly efficient numerical calculation of ⟨cos2θ2D⟩ and ⟨cos2θ⟩ in general.