bluuebunny/crossref_metadata_2025 huggingface dataset:
Innovative Methodology of On-Line Point Cloud Data Compression for Free-Form Surface Scanning Measurement
Authors: Li Yan , Ma Yuyong , Tao Ye , Hou Zhengmeng
Published: December 2018

In order to obtain a highly accurate profile of a measured three-dimensional (3D) free-form surface, a scanning measuring device has to produce extremely dense point cloud data with a great sampling rate. Bottlenecks are created owing to inefficiencies in manipulating, storing and transferring these data, and parametric modelling from them is quite time-consuming work. In order to effectively compress the dense point cloud data obtained from a 3D free-form surface during the real-time scanning measuring process, this paper presents an innovative methodology of an on-line point cloud data compression algorithm for 3D free-form surface scanning measurement. It has the ability to identify and eliminate data redundancy caused by geometric feature similarity between adjacent scanning layers. At first, the new algorithm adopts the bi-Akima method to compress the initial point cloud data; next, the data redundancy existing in the compressed point cloud is further identified and eliminated; then, we can get the final compressed point cloud data. Finally, the experiment is conducted, and the results demonstrate that the proposed algorithm is capable of obtaining high-quality data compression results with higher data compression ratios than other existing on-line point cloud data compression/reduction methods.
Towards Quantitative Acoustic Emission by Finite Element Modelling: Contribution of Modal Analysis and Identification of Pertinent Descriptors
Authors: Le Gall Thomas , Monnier Thomas , Fusco Claudio , Godin Nathalie , Hebaz Salah-Eddine
Published: December 2018

Acoustic emission (AE) is used for damage monitoring and health diagnosis of materials. Several experimental investigations have shown the aptitude of AE to identify signatures of damage mechanisms. Nevertheless, there is a lack of numerical modelling or simulation to understand the link between the source and the AE signals. Since the interpretation of data of AE measurements mainly relies on empirical correlation between the signal and the mechanical source, a detailed description of the effects of the different stages of the acquisition chain is still lacking. Moreover, the geometry of the specimen can strongly influence the propagation modes. In this study, we propose to model AE with the Finite Element Method, in order to investigate the effect of the type of damage, the geometry of the specimen and the piezoelectric sensor on the waves and on the AE parameters. After validating the model with an experimental pencil lead break, we perform a modal analysis on the numerical signals. This consists of identifying the excited modes for several sources using a 2D Fast Fourier Transform. The last part is devoted to the identification of pertinent descriptors with a perfect point contact sensor and with a resonant sensor.
Incoherent Shock and Collapse Singularities in Non-Instantaneous Nonlinear Media
Authors: Xu Gang , Fusaro Adrien , Garnier Josselin , Picozzi Antonio
Published: December 2018

We study the dynamics of a partially incoherent optical pulse that propagates in a slowly responding nonlinear Kerr medium. We show that irrespective of the sign of the dispersion (either normal or anomalous), the incoherent pulse as a whole exhibits a global collective behavior characterized by a dramatic narrowing and amplification in the strongly non-linear regime. The theoretical analysis based on the Vlasov formalism and the method of the characteristics applied to a reduced hydrodynamic model reveal that such a strong amplitude-incoherent pulse originates in the existence of a concurrent shock-collapse singularity (CSCS): The envelope of the intensity of the random wave exhibits a collapse singularity, while the momentum exhibits a shock singularity. The dynamic behavior of the system after the shock-collapse singularity is characterized through the analysis of the phase-space dynamics.
Multi-Objective Stochastic Optimal Operation of a Grid-Connected Microgrid Considering an Energy Storage System
Authors: Fan Hong , Yuan Qianqian , Cheng Haozhong
Published: December 2018

This paper investigates the stochastic optimal operation of microgrid considering the influence of energy storage system (ESS). The uncertain factors related to renewable energies are also fully considered. Monte Carlo simulation (MCS) and scenario reduction technique are used to capture the randomness of renewable energy output. The objective is to minimize the operation cost and pollutant treatment cost of the microgrid system. Then, the multi-objective optimization problem is transformed to a single-objective problem by a line weighted sum method. A nonlinear programming tool—General Algebraic Modeling System (GAMS)—is adopted to solve the single-objective problem. Simulation results indicate that the total cost of the microgrid system can be reduced effectively when considering the effect of ESS and verify the correctness of the proposed strategy.
Deep Learning-Based Damage, Load and Support Identification for a Composite Pipeline by Extracting Modal Macro Strains from Dynamic Excitations
Authors: Zhao Ying , Noori Mohammad , Altabey Wael A. , Ghiasi Ramin , Wu Zhishen
Published: December 2018

Modal macro strain-based damage identification is a promising approach since it has the advantages of high sensitivity and effectiveness over other related methods. In this paper, a basalt fiber-reinforced polymer (BFRP) pipeline system is used for analysis by using long-gauge distributed fiber Bragg grating (FBG) sensors. Dynamic macro strain responses are extracted to form modal macro strain (MMS) vectors. Both longitudinal distribution and circumferential distribution plots of MMS are compared and analyzed. Results show these plots can reflect damage information of the pipeline based on the previous work carried out by the authors. However, these plots may not be good choices for accurate detection of damage information since the model is 3D and has different flexural and torsional effects. Therefore, by extracting MMS information in the circumferential distribution plots, a novel deep neural network is employed to train and test these images, which reflect the important and key information of modal variance in the pipe system. Results show that the proposed Deep Learning based approach is a promising way to inherently identify damage types, location of the excitation load and support locations, especially when the structural types are complicated and the ambient environment is changing.
Model Performance Differences in Sulfate Aerosol in Winter over Japan Based on Regional Chemical Transport Models of CMAQ and CAMx
Authors: Itahashi Syuichi , Yamaji Kazuyo , Chatani Satoru , Hisatsune Kunihiro , Saito Shinji , Hayami Hiroshi
Published: December 2018

Sulfate aerosol (SO42−) is a major component of particulate matter in Japan. The Japanese model intercomparison study, J-STREAM, found that although SO42− is well captured by models, it is underestimated during winter. In the first phase of J-STREAM, we refined the Fe- and Mn-catalyzed oxidation and partly improved the underestimation. The winter haze in December 2016 was a target period in the second phase. The results from the Community Multiscale Air Quality (CMAQ) and Comprehensive Air quality Model with eXtentions (CAMx) regional chemical transport models were compared with observations from the network over Japan and intensive observations at Nagoya and Tokyo. Statistical analysis showed both models satisfied the suggested model performance criteria. CMAQ sensitivity simulations explained the improvements in model performance. CMAQ modeled lower SO42− concentrations than CAMx, despite increased aqueous oxidation via the metal catalysis pathway and NO2 reaction in CMAQ. Deposition explained this difference. A scatter plot demonstrated that the lower SO42− concentration in CMAQ than in CAMx arose from the lower SO2 concentration and higher SO42− wet deposition in CMAQ. The dry deposition velocity caused the difference in SO2 concentration. These results suggest the importance of deposition in improving our understanding of ambient concentration behavior.
A Case Study of the Stratospheric and Mesospheric Concentric Gravity Waves Excited by Thunderstorm in Northern China
Authors: Wen Ying , Zhang Qilin , Gao Haiyang , Xu Jiyao , Li Qinzeng
Published: December 2018

In this paper, the complete process in which a concentric gravity wave (CGW), excited by a tropospheric thunderstorm, propagated into the stratosphere and mesosphere in Northern China is investigated. A strong thunderstorm developed in the middle of the Inner Mongolia autonomous region on the night of 10th August 2013. The stratospheric temperature perturbation, caused by the CGW, was observed by the Atmospheric Infrared Sounder (AIRS) at 02:11 LT 11th August 2013. An all-sky OH imager at the Shuozhou station (39.8° N, 112.1° E), supported by the Meridian Space Weather Monitoring Project, measured the mesospheric CGW between 22:00 LT to 23:00 LT on the night. It was certified that both the stratospheric and mesospheric CGWs were triggered by the aforementioned thunderstorm, and the excitation source was calculated to be located at (40.59° N, 108.67° E) by employing the dispersion relation. The CGWs were excited in the initial stage of the thunderstorm. The temperature and wind field data obtained by SABER and meteoric radar, respectively, were used to evaluate the background properties of the respective propagation regions. The result shows that an obvious thermal duct structure, with a positive squared vertical wavenumber (m2) existed around the OH layer.
Diffeomorphisms with Shadowable Measures
Authors: Moriyasu Kazumine , Sakai Kazuhiro , Sumi Naoya
Published: December 2018

In this paper, the notion of shadowable measures is introduced as a generalization of the shadowing property from the measure theoretical view point, and the set of diffeomorphisms satisfying the notion is considered. The dynamics of the C 1 -interior of the set of diffeomorphisms possessing the shadowable measures is characterized as the uniform hyperbolicity.
Electrochemical Performance and Thermal Stability of Iron Oxyfluoride (FeOF) for Sodium-Ion Batteries
Authors: Kitajou Ayuko , Zhao Liwei , Nagano Rintaro , Inoishi Atsushi , Kobayashi Eiji , Okada Shigeto
Published: December 2018

Self-synthesized rutile iron oxyfluoride (FeOF) was studied as a cathode material for Na-ion batteries. The highly crystalline FeOF provided an initial discharge capacity of 246 mAh g−1 in a voltage range of 1.0–4.0 V, followed by 88% of capacity retention after 20 cycles. This discharge-charge reaction of FeOF between 0.8 and 4.0 V are advanced by the Fe2+/Fe3+ redox reaction. That is, no conversion reaction was involved in the application of FeOF as a cathode material for Na-ion batteries because of the low potential of Na-insertion. In addition, the structure change of FeOF from rutile to cubic during Na ion insertion, which was similar to that in Li-ion batteries. No remarkable HF release was detected even up to 700 °C, indicating a low toxic risk of the FeOF cathode. The thermal properties of sodiated and desodiated FeOF electrodes in the associated electrolyte were investigated by DSC (Differential scanning calorimetry) up to 500 °C. Sodiated FeOF electrodes showed larger exothermic heat generation than desodiated ones, especially at a temperature higher than 380 °C. Finally, the thermal stability of FeOF cathodes in the associated Li- and Na-ion battery electrolytes was quantitatively compared with variations of the electrode/electrolyte ratio.
RNA Sequencing Provides Insights into the Regulation of Solanesol Biosynthesis in Nicotiana tabacum Induced by Moderately High Temperature
Authors: Yan Ning , Du Yongmei , Zhang Hongbo , Zhang Zhongfeng , Liu Xinmin , Shi John , Liu Yanhua
Published: December 2018

Solanesol is a terpene alcohol composed of nine isoprene units that mainly accumulates in solanaceous plants, especially tobacco (Nicotiana tabacum). The present study aimed to investigate the regulation of solanesol accumulation in tobacco leaves induced by moderately high temperature (MHT). Exposure to MHT resulted in a significant increase in solanesol content, dry weight, and net photosynthetic rate in tobacco leaves. In MHT-exposed tobacco leaves, 492 and 1440 genes were significantly up- and downregulated, respectively, as revealed by RNA-sequencing. Functional enrichment analysis revealed that most of the differentially expressed genes (DEGs) were mainly related to secondary metabolite biosynthesis, metabolic pathway, carbohydrate metabolism, lipid metabolism, hydrolase activity, catalytic activity, and oxidation-reduction process. Moreover, 122 transcription factors of DEGs were divided into 22 families. Significant upregulation of N. tabacum 3-hydroxy-3-methylglutaryl-CoA reductase (NtHMGR), 1-deoxy-d-xylulose 5-phosphate reductoisomerase (NtDXR), geranylgeranyl diphosphate synthase (NtGGPS), and solanesyl diphosphate synthase (NtSPS) and significant downregulation of N. tabacum 1-deoxy-d-xylulose 5-phosphate synthase (NtDXS) and farnesyl diphosphate synthase (NtFPS) transcription upon MHT exposure were monitored by quantitative real-time PCR (qRT-PCR). This study indicated that solanesol accumulation in tobacco leaves can be manipulated through regulation of the environmental temperature and established a basis for further elucidation of the molecular mechanism of temperature regulation of solanesol accumulation.
High-Throughput Screen Identifying the Thiosemicarbazone NSC319726 Compound as a Potent Antimicrobial Lead Against Resistant Strains of Escherichia coli
Authors: Sadaka Carmen , Damborg Peter , Watts Jeffrey L.
Published: December 2018

Antibiotic discovery is vital when considering the increasing antimicrobial resistance threat. The aim of this work was to provide a high-throughput screen (HTS) assay using multidrug-resistant Escherichia coli strains to enable further research into antimicrobial lead discovery and identify novel antimicrobials. This study describes a primary HTS of a diverse library of 7884 small molecules against a susceptible E. coli strain. A secondary screening of 112 molecules against four E. coli strains with different susceptibility profiles revealed NSC319726 as a potential antimicrobial lead serving as a novel template. NSC319726 is a good candidate for an analoguing program.
Facial Sadness Recognition is Modulated by Estrogen Receptor Gene Polymorphisms in Healthy Females
Authors: Gutiérrez-Muñoz Mayra , Fajardo-Araujo Martha E. , González-Pérez Erika G. , Aguirre-Arzola Victor E. , Solís-Ortiz Silvia
Published: December 2018

Polymorphisms of the estrogen receptor ESR1 and ESR2 genes have been linked with cognitive deficits and affective disorders. The effects of these genetic variants on emotional processing in females with low estrogen levels are not well known. The aim was to explore the impact of the ESR1 and ESR2 genes on the responses to the facial emotion recognition task in females. Postmenopausal healthy female volunteers were genotyped for the polymorphisms Xbal and PvuII of ESR1 and the polymorphism rs1256030 of ESR2. The effect of these polymorphisms on the response to the facial emotion recognition of the emotions happiness, sadness, disgust, anger, surprise, and fear was analyzed. Females carrying the P allele of the PvuII polymorphism or the X allele of the Xbal polymorphism of ESR1 easily recognized facial expressions of sadness that were more difficult for the women carrying the p allele or the x allele. They displayed higher accuracy, fast response time, more correct responses, and fewer omissions to complete the task, with a large effect size. Women carrying the ESR2 C allele of ESR2 showed a faster response time for recognizing facial expressions of anger. These findings link ESR1 and ESR2 polymorphisms in facial emotion recognition of negative emotions.
Mitochondrial RNA Expression and Single Nucleotide Variants in Association with Clinical Parameters in Primary Breast Cancers
Authors: Weerts Marjolein J. A. , Smid Marcel , Foekens John A. , Sleijfer Stefan , Martens John W. M.
Published: December 2018

The human mitochondrial DNA (mtDNA) encodes 37 genes, including thirteen proteins essential for the respiratory chain, and RNAs functioning in the mitochondrial translation apparatus. The total number of mtDNA molecules per cell (mtDNA content) is variable between tissue types and also between tumors and their normal counterparts. For breast cancer, tumors tend to be depleted in their mtDNA content compared to adjacent normal mammary tissue. Various studies have shown that primary breast tumors harbor somatic mtDNA variants. A decrease in mtDNA content or the presence of somatic variants could indicate a reduced mitochondrial function within breast cancer. In this explorative study we aimed to further understand genomic changes and expression of the mitochondrial genome within breast cancer, by analyzing RNA sequencing data of primary breast tumor specimens of 344 cases. We demonstrate that somatic variants detected at the mtRNA level are representative for somatic variants in the mtDNA. Also, the number of somatic variants within the mitochondrial transcriptome is not associated with mutational processes impacting the nuclear genome, but is positively associated with age at diagnosis. Finally, we observe that mitochondrial expression is related to ER status. We conclude that there is a large heterogeneity in somatic mutations of the mitochondrial genome within primary breast tumors, and differences in mitochondrial expression among breast cancer subtypes. The exact impact on metabolic differences and clinical relevance deserves further study.
Treatment of Pain in Cancer: Towards Personalised Medicine
Authors: Van den Beuken-van Everdingen Marieke H. J. , Van Kuijk Sander M. J. , Janssen Daisy J. A. , Joosten Elbert A. J.
Published: December 2018

Despite increased attention to cancer pain, pain prevalence in patients with cancer has not improved over the last decade and one third of cancer patients on anticancer therapy and half of patients with advanced disease still suffer from moderate to severe pain. In this review, we explore the possible reasons for the ongoing high prevalence of cancer pain and discuss possible future directions for improvement in personalised pain management. Among possible reasons for the lack of improvement are: Barriers for patients to discuss pain with clinicians spontaneously; pain measurement instruments are not routinely used in daily practice; limited knowledge concerning the assessment of undertreatment; changes in patients’ characteristics, including the ageing of the population; lack of significant improvement in the treatment of neuropathic pain; limitations of pharmacological treatment and lack of evidence-based nonpharmacological treatment strategies. In order to improve cancer pain treatment, we recommend: (1) Physicians proactively ask about pain and measure pain using assessment instruments; (2) the development of an optimal tool measuring undertreatment; (3) educational interventions to improve health care workers’ skills in pain management; (4) the development of more effective and personalised pharmacological and nonpharmacological pain treatment.
Transporter and Lysosomal Mediated (Multi)drug Resistance to Tyrosine Kinase Inhibitors and Potential Strategies to Overcome Resistance
Authors: De Klerk Daniel J. , Honeywell Richard J. , Jansen Gerrit , Peters Godefridus J.
Published: December 2018

Tyrosine kinase inhibitors are a class of chemotherapeutic drugs that target specific protein kinases. These tyrosine kinase inhibitors constitute a relatively new class of drugs which target for instance Bcr-Abl, Epidermal Growth Factor Receptor (EGFR) and Vascular Endothelial Growth Factor Receptor (VEGFR). Despite some initial successes, the overall therapeutic benefit of tyrosine kinase inhibitors in the clinic has been mixed. Next to mutations in the target, multidrug resistance is a major obstacle for which still no clinically effective strategies have been developed. Major mechanisms of multidrug resistance are mediated by drug efflux transporter proteins. Moreover, there is accumulating evidence that multidrug resistance can also be caused by lysosomal sequestration of drugs, effectively trapping tyrosine kinase inhibitors and preventing them from reaching their target. Lysosomal drug sequestration seems to work together with ATP-binding cassette transporters, increasing the capacity of lysosomes to mediate sequestration. Both membrane efflux transporter proteins and lysosomes present potential therapeutic targets that could reverse multidrug resistance and increase drug efficacy in combination therapy. This review describes both mechanisms and discusses a number of proposed strategies to circumvent or reverse tyrosine kinase inhibitor-related multidrug resistance.
Pathological and Molecular Characteristics of Colorectal Cancer with Brain Metastases
Authors: Roussille Pauline , Tachon Gaelle , Villalva Claire , Milin Serge , Frouin Eric , Godet Julie , Berger Antoine , Emambux Sheik , Petropoulos Christos , Wager Michel , Karayan-Tapon Lucie , Tougeron David
Published: December 2018

Background: Colorectal cancers (CRC) with brain metastases (BM) are scarcely described. The main objective of this study was to determine the molecular profile of CRC with BM. Methods: We included 82 CRC patients with BM. KRAS, NRAS, BRAF and mismatch repair (MMR) status were investigated on primary tumors (n = 82) and BM (n = 38). ALK, ROS1, cMET, HER-2, PD-1, PD-L1, CD3 and CD8 status were evaluated by immunohistochemistry, and when recommended, by fluorescence in situ hybridization. Results: In primary tumors, KRAS, NRAS and BRAF mutations were observed in 56%, 6%, and 6% of cases, respectively. No ROS1, ALK and cMET rearrangement was detected. Only one tumor presented HER-2 amplification. Molecular profiles were mostly concordant between BM and paired primary tumors, except for 9% of discordances for RAS mutation. CD3, CD8, PD-1 and PD-L1 expressions presented some discordance between primary tumors and BM. In multivariate analysis, multiple BM, lung metastases and PD-L1+ tumor were predictive of poor overall survival. Conclusions: CRCs with BM are associated with high frequency of RAS mutations and significant discordance for RAS mutational status between BM and paired primary tumors. Multiple BM, lung metastases and PD-L1+ have been identified as prognostic factors and can guide therapeutic decisions for CRC patients with BM.
Carbonate-Catalyzed Room-Temperature Selective Reduction of Biomass-Derived 5-Hydroxymethylfurfural into 2,5-Bis(hydroxymethyl)furan
Authors: Long Jingxuan , Zhao Wenfeng , Xu Yufei , Li Hu , Yang Song
Published: December 2018

Catalytic reduction of 5-hydroxymethylfurfural (HMF), deemed as one of the key bio-based platform compounds, is a very promising pathway for the upgrading of biomass to biofuels and value-added chemicals. Conventional hydrogenation of HMF is mainly conducted over precious metal catalysts with high-pressure hydrogen. Here, a highly active, sustainable, and facile catalytic system composed of K2CO3, Ph2SiH2, and bio-based solvent 2-methyltetrahydrofuran (MTHF) was developed to be efficient for the reduction of HMF. At a low temperature of 25 °C, HMF could be completely converted to 2,5-bis(hydroxymethyl)furan (BHMF) in a good yield of 94% after 2 h. Moreover, a plausible reaction mechanism was speculated, where siloxane in situ formed via hydrosilylation was found to be the key species responsible for the high reactivity.
Recent Progress in Constructing Plasmonic Metal/Semiconductor Hetero-Nanostructures for Improved Photocatalysis
Authors: Ma Liang , Chen Shuang , Shao Yun , Chen You-Long , Liu Mo-Xi , Li Hai-Xia , Mao Yi-Ling , Ding Si-Jing
Published: December 2018

Hetero-nanomaterials constructed by plasmonic metals and functional semiconductors show enormous potential in photocatalytic applications, such as in hydrogen production, CO2 reduction, and treatment of pollutants. Their photocatalytic performances can be better regulated through adjusting structure, composition, and components’ arrangement. Therefore, the reasonable design and synthesis of metal/semiconductor hetero-nanostructures is of vital significance. In this mini-review, we laconically summarize the recent progress in efficiently establishing metal/semiconductor nanomaterials for improved photocatalysis. The defined photocatalysts mainly include traditional binary hybrids, ternary multi-metals/semiconductor, and metal/multi-semiconductors heterojunctions. The underlying physical mechanism for the enhanced photocatalysis of the established photocatalysts is highlighted. In the end, a brief summary and possible future perspectives for further development in this field are demonstrated.
Recent Advances in Homogeneous Metal-Catalyzed Aerobic C–H Oxidation of Benzylic Compounds
Authors: Urgoitia Garazi , SanMartin Raul , Herrero María Teresa , Domínguez Esther
Published: December 2018

Csp3–H oxidation of benzylic methylene compounds is an established strategy for the synthesis of aromatic ketones, esters, and amides. The need for more sustainable oxidizers has encouraged researchers to explore the use of molecular oxygen. In particular, homogeneous metal-catalyzed aerobic oxidation of benzylic methylenes has attracted much attention. This account summarizes the development of this oxidative strategy in the last two decades, examining key factors such as reaction yields, substrate:catalyst ratio, substrate scope, selectivity over other oxidation byproducts, and reaction conditions including solvents and temperature. Finally, several mechanistic proposals to explain the observed results will be discussed.
Structure–Activity Relationship Study of Mn/Fe Ratio Effects on Mn−Fe−Ce−Ox/γ-Al2O3 Nanocatalyst for NO Oxidation and Fast SCR Reaction
Authors: Gao Yan , Luan Tao , Zhang Mingyang , Zhang Wenke , Feng Wenchen
Published: December 2018

A series of Mn−Fe−Ce−Ox/γ-Al2O3 nanocatalysts were synthesized with different Mn/Fe ratios for the catalytic oxidation of NO into NO2 and the catalytic elimination of NOx via fast selective catalytic reduction (SCR) reaction. The effects of Mn/Fe ratio on the physicochemical properties of the samples were analyzed by means of various techniques including N2 adsorption, scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), H2-temperature-programmed reduction (TPR), NH3-temperature-programmed desorption (TPD) and NO-TPD, meanwhile, their catalytic performance was also evaluated and compared. Multiple characterizations revealed that the catalytic performance was highly dependent on the phase composition. The Mn15Fe15−Ce/Al sample with the Mn/Fe molar ratio of 1.0 presented the optimal structure characteristic among all tested samples, with the largest surface area, increased active components distributions, the reduced crystallinity and diminished particle sizes. In the meantime, the ratios of Mn4+/Mnn+, Fe2+/Fen+ and Ce3+/Cen+ in Mn15Fe15−Ce/Al samples were improved, which could enhance the redox capacity and increase the quantity of chemisorbed oxygen and oxygen vacancy, thus facilitating NO oxidation into NO2 and eventually promoting the fast SCR reaction. In accord with the structure results, the Mn15Fe15−Ce/Al sample exhibited the highest NO oxidation rate of 64.2% at 350 °C and the broadest temperature window of 75–350 °C with the NOx conversion >90%. Based on the structure–activity relationship discussion, the catalytic mechanism over the Mn−Fe−Ce ternary components supported by γ-Al2O3 were proposed. Overall, it was believed that the optimization of Mn/Fe ratio in Mn−Fe−Ce/Al nanocatalyst was an extremely effective method to improve the structure–activity relationships for NO pre-oxidation and the fast SCR reaction.
Hydrotreatment Followed by Oxidative Desulfurization and Denitrogenation to Attain Low Sulphur and Nitrogen Bitumen Derived Gas Oils
Authors: Badoga Sandeep , Misra Prachee , Kamath Girish , Zheng Ying , Dalai Ajay K.
Published: December 2018

To lower the sulphur content below 500 ppm and to increase the quality of bitumen derived heavy oil, a combination of hydrotreating followed by oxidative desulfurization (ODS) and oxidative denitrogenation (ODN) is proposed in this work. NiMo/γ-Al2O3 catalyst was synthesized and used to hydrotreat heavy gas oil (HGO) and light gas oil (LGO) at typical operating conditions of 370–390 °C, 9 MPa, 1–1.5 h−1 space velocity and 600:1 H2 to oil ratio. γ-Alumina and alumina-titania supported Mo, P, Mn and W catalysts were synthesized and characterized using X-ray diffractions, N2 adsorption-desorption using Brunauer–Emmett–Teller (BET) method, X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FT-IR). All catalysts were tested for the oxidation of sulphur and nitrogen aromatic compounds present in LGO and HGO using tert-butyl hydroperoxide (TBHP) as oxidant. The oxidized sulphur and nitrogen compounds were extracted using adsorption on activated carbon and liquid-liquid extraction using methanol. The determination of oxidation states of each metal using XPS confirmed the structure of metal oxides in the catalyst. Thus, the catalytic activity determined in terms of sulphur and nitrogen removal is related to their physico-chemical properties. In agreement with literature, a simplistic mechanism for the oxidative desulfurization is also presented. Mo was found to be more active in comparison to W. Presence of Ti in the support has shown 8–12% increase in ODS and ODN. The MnPMo/γ-Al2O3-TiO2 catalyst showed the best activity for sulphur and nitrogen removal. The role of Mn and P as promoters to molybdenum was also discussed. Further three-stage ODS and ODN was performed to achieve less than 500 ppm in HGO and LGO. The combination of hydrotreatment, ODS and ODN has resulted in removal of 98.8 wt.% sulphur and 94.7 wt.% nitrogen from HGO and removal of 98.5 wt.% sulphur and 97.8 wt.% nitrogen from LGO.
Theoretical Study on the Mechanism of Hydrogen Donation and Transfer for Hydrogen-Donor Solvents during Direct Coal Liquefaction
Authors: Hao Haigang , Chang Tong , Cui Linxia , Sun Ruiqing , Gao Rui
Published: December 2018

As a country that is poor in petroleum yet rich in coal, it is significant for China to develop direct coal liquefaction (DCL) technology to relieve the pressure from petroleum shortages to guarantee national energy security. To improve the efficiency of the direct coal liquefaction process, scientists and researchers have made great contributions to studying and developing highly efficient hydrogen donor (H-donor) solvents. Nevertheless, the details of hydrogen donation and the transfer pathways of H-donor solvents are still unclear. The present work examined hydrogen donation and transfer pathways using a model H-donor solvent, tetralin, by density functional theory (DFT) calculation. The reaction condition and state of the solvent (gas or liquid) were considered, and the specific elementary reaction routes for hydrogen donation and transfer were calculated. In the DCL process, the dominant hydrogen donation mechanism was the concerted mechanism. The sequence of tetralin donating hydrogen atoms was α-H (C1–H) > δ-H (C4–H) > β-H (C2–H) > γ-H (C3–H). Compared to methyl, it was relatively hard for benzyl to obtain the first hydrogen atom from tetralin, while it was relatively easy to obtain the second and third hydrogen atoms from tetralin. Comparatively, it was easier for coal radicals to capture hydrogen atoms from the H-donor solvent than to obtain hydrogen atoms from hydrogen gas.
Electrochemical Oxidation of Amines Using a Nitroxyl Radical Catalyst and the Electroanalysis of Lidocaine
Authors: Sato Katsuhiko , Ono Tetsuya , Sasano Yusuke , Sato Fumiya , Kumano Masayuki , Yoshida Kentaro , Dairaku Takenori , Iwabuchi Yoshiharu , Kashiwagi Yoshitomo
Published: December 2018

The nitroxyl radical of 2,2,6,6-tetramethylpiperidine 1-oxyl (TEMPO) can electro-oxidize not only alcohols but also amines. However, TEMPO has low activity in a neutral aqueous solution due to the large steric hindrance around the nitroxyl radical, which is the active site. Therefore, nortropine N-oxyl (NNO) was synthesized to improve the catalytic ability of TEMPO and to investigate the electrolytic oxidation effect on amines from anodic current changes. Ethylamine, diethylamine, triethylamine, tetraethylamine, isopropylamine, and tert-butylamine were investigated. The results indicated that TEMPO produced no response current for any of the amines under physiological conditions; however, NNO did function as an electrolytic oxidation catalyst for diethylamine, triethylamine, and isopropylamine. The anodic current depended on amine concentration, which suggests that NNO can be used as an electrochemical sensor for amine compounds. In addition, electrochemical detection of lidocaine, a local anesthetic containing a tertiary amine structure, was demonstrated using NNO with a calibration curve of 0.1–10 mM.
Tendon Remodeling in Response to Resistance Training, Anabolic Androgenic Steroids and Aging
Authors: Guzzoni Vinicius , Selistre-de-Araújo Heloisa Sobreiro , De Cássia Marqueti Rita
Published: December 2018

Exercise training (ET), anabolic androgenic steroids (AAS), and aging are potential factors that affect tendon homeostasis, particularly extracellular matrix (ECM) remodeling. The goal of this review is to aggregate findings regarding the effects of resistance training (RT), AAS, and aging on tendon homeostasis. Data were gathered from our studies regarding the impact of RT, AAS, and aging on the calcaneal tendon (CT) of rats. We demonstrated a series of detrimental effects of AAS and aging on functional and biomechanical parameters, including the volume density of blood vessel cells, adipose tissue cells, tendon calcification, collagen content, the regulation of the major proteins related to the metabolic/development processes of tendons, and ECM remodeling. Conversely, RT seems to mitigate age-related tendon dysfunction. Our results suggest that AAS combined with high-intensity RT exert harmful effects on ECM remodeling, and also instigate molecular and biomechanical adaptations in the CT. Moreover, we provide further information regarding the harmful effects of AAS on tendons at a transcriptional level, and demonstrate the beneficial effects of RT against the age-induced tendon adaptations of rats. Our studies might contribute in terms of clinical approaches in favor of the benefits of ET against tendinopathy conditions, and provide a warning on the harmful effects of the misuse of AAS on tendon development.
Role of the p38 MAPK/C/EBPβ Pathway in the Regulation of Phenotype and IL-10 and IL-12 Production by Tolerogenic Bone Marrow-Derived Dendritic Cells
Authors: Guindi Chantal , Cloutier Alexandre , Gaudreau Simon , Zerif Echarki , McDonald Patrick P. , Tatsiy Olga , Asselin Claude , Dupuis Gilles , Gris Denis , Amrani Abdelaziz
Published: December 2018

Dendritic cells (DCs) play a major role in innate and adaptive immunity and self-immune tolerance. Immunogenic versus tolerogenic DC functions are dictated by their levels of costimulatory molecules and their cytokine expression profile. The transcription factor C/EBPβ regulates the expression of several inflammatory genes in many cell types including macrophages. However, little is known regarding the role of C/EBPβ in tolerogenic versus immunogenic DCs functions. We have previously reported that bone marrow-derived DCs generated with GM-CSF (GM/DCs) acquire the signature of semi-mature tolerogenic IL-10-producing DCs as opposed to immunogenic DCs generated with GM-CSF and IL-4 (IL-4/DCs). Here, we show that tolerogenic GM/DCs exhibit higher levels of phosphorylation and enhanced DNA binding activity of C/EBPβ and CREB than immunogenic IL-4/DCs. We also show that the p38 MAPK/CREB axis and GSK3 play an important role in regulating C/EBPβ phosphorylation and DNA binding activity. Inhibition of p38 MAPK in GM/DCs resulted in a drastic decrease of C/EBPβ and CREB DNA binding activities, a reduction of their IL-10 production and an increase of their IL-12p70 production, a characteristic of immunogenic IL-4/DCs. We also present evidence that GSK3 inhibition in GM/DCs reduced C/EBPβ DNA binding activity and increased expression of costimulatory molecules in GM/DCs and their production of IL-10. Analysis of GM/DCs of C/EBPβ−/− mice showed that C/EBPβ was essential to maintain the semimature phenotype and the production of IL-10 as well as low CD4+ T cell proliferation. Our results highlight the importance of the p38MAPK-C/EBPβ pathway in regulating phenotype and function of tolerogenic GM/DCs.
Regulation of EGFR Endocytosis by CBL During Mitosis
Authors: Wee Ping , Wang Zhixiang
Published: December 2018

The overactivation of epidermal growth factor (EGF) receptor (EGFR) is implicated in various cancers. Endocytosis plays an important role in EGFR-mediated cell signaling. We previously found that EGFR endocytosis during mitosis is mediated differently from interphase. While the regulation of EGFR endocytosis in interphase is well understood, little is known regarding the regulation of EGFR endocytosis during mitosis. Here, we found that contrary to interphase cells, mitotic EGFR endocytosis is more reliant on the activation of the E3 ligase CBL. By transfecting HeLa, MCF-7, and 293T cells with CBL siRNA or dominant-negative 70z-CBL, we found that at high EGF doses, CBL is required for EGFR endocytosis in mitotic cells, but not in interphase cells. In addition, the endocytosis of mutant EGFR Y1045F-YFP (mutation at the direct CBL binding site) is strongly delayed. The endocytosis of truncated EGFR Δ1044-YFP that does not bind to CBL is completely inhibited in mitosis. Moreover, EGF induces stronger ubiquitination of mitotic EGFR than interphase EGFR, and mitotic EGFR is trafficked to lysosomes for degradation. Furthermore, we showed that, different from interphase, low doses of EGF still stimulate EGFR endocytosis by non-clathrin mediated endocytosis (NCE) in mitosis. Contrary to interphase, CBL and the CBL-binding regions of EGFR are required for mitotic EGFR endocytosis at low doses. This is due to the mitotic ubiquitination of the EGFR even at low EGF doses. We conclude that mitotic EGFR endocytosis exclusively proceeds through CBL-mediated NCE.
Lysosomal Sequestration Impairs the Activity of the Preclinical FGFR Inhibitor PD173074
Authors: Englinger Bernhard , Kallus Sebastian , Senkiv Julia , Laemmerer Anna , Moser Patrick , Gabler Lisa , Groza Diana , Kowol Christian R. , Heffeter Petra , Grusch Michael , Berger Walter
Published: December 2018

Knowledge of intracellular pharmacokinetics of anticancer agents is imperative for understanding drug efficacy as well as intrinsic and acquired cellular resistance mechanisms. However, the factors driving subcellular drug distribution are complex and poorly understood. Here, we describe for the first time the intrinsic fluorescence properties of the fibroblast growth factor receptor inhibitor PD1703074 as well as utilization of this physicochemical feature to investigate intracellular accumulation and compartmentalization of this compound in human lung cancer cells. Cell-free PD173074 fluorescence, intracellular accumulation and distribution were investigated using analytical chemistry and molecular biology approaches. Analyses on a subcellular scale revealed selective drug accumulation in lysosomes. Coincubation with inhibitors of lysosomal acidification strongly enhanced PD173074-mediated fibroblast growth factor receptor (FGFR) inhibition and cytotoxicity. In conclusion, intrinsic fluorescence enables analysis of molecular factors influencing intracellular pharmacokinetics of PD173074. Lysosome-alkalinizing agents might represent candidates for rational combination treatment, preventing cancer cell-intrinsic PD173074 resistance based on lysosomal trapping.
Micronization for Enhancement of Curcumin Dissolution via Electrospraying Technique
Authors: Chhouk Kimthet , Diono Wahyu , Kanda Hideki , Goto Motonobu
Published: December 2018

Curcumin is a hydrophobic polyphenol compound exhibiting a wide range of biological activities such as anti-inflammatory, anti-bacterial, anti-fungal, anti-carcinogenic, anti-HIV, and anti-microbial activity. Recently, electrospraying has been successfully used to produce micro-or nano-sized particles for pharmaceutical use. In this work, polyvinylpyrrolidone (PVP) microspheres containing curcumin were prepared via electrospraying in order to improve the bioavailability of poorly-water-soluble curcumin. The influence of five processing parameters namely curcumin/PVP ratio, tip to collector distance, and electric voltage on physic-chemical properties was investigated. The characterization and aqueous solubility of particles were determined by using scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), and UV-Vis spectrophotometer. The result indicated that the spherical particles with particle size distribution of 164 to 730 nm obtained at a curcumin/PVP ratio of 1:30, a polymer solution concentration of 0.4%, electric voltage of 10 kV, and a tip-to-collector distance of 15 cm. Moreover, the dissolution of curcumin/PVP particle generated by electrospraying was higher than that of the original curcumin and pure curcumin particles produced by electrospraying.
Retrospective Review of Limitations of Care for Inpatients at a Free-Standing, Tertiary Care Children’s Hospital
Authors: Plymire Christopher J. , Miller Elissa G. , Frizzola Meg
Published: December 2018

Limited studies exist regarding the timing, location, or physicians involved in do-not-resuscitate (DNR) order placement in pediatrics. Prior pediatric studies have noted great variations in practice during end-of-life (EOL) care. This study aims to analyze the timing, location, physician specialties, and demographic factors influencing EOL care in pediatrics. We examined the time preceding and following the implementation of a pediatric palliative care team (PCT) via a 5-year, retrospective chart review of all deceased patients previously admitted to inpatient services. Thirty-five percent (167/471) of the patients in our study died with a DNR order in place. Sixty-two percent of patients died in an ICU following DNR order placement. A difference was noted in DNR order timing between patients on general inpatient units and those discharged to home compared with those in the ICUs (p = 0.02). The overall DNR order rate increased following the initiation of the PCT from 30.8% to 39.2% (p = 0.05), but no change was noted in the rate of death in the ICUs. Our study demonstrates a variation in the timing of death following DNR order placement when comparing ICUs and general pediatric floors. Following the initiation of the PCT, we saw increased DNR frequency but no change in the interval between a DNR order and death.
Effects of Low-Temperature Tempering on Microstructure and Properties of the Laser-Cladded AISI 420 Martensitic Stainless Steel Coating
Authors: Zhu Hongmei , Li Yongzuo , Li Baichun , Zhang Zhenyuan , Qiu Changjun
Published: December 2018

Post-treatment is crucial to improve the comprehensive performance of laser-cladded martensitic stainless steel coatings. In this work, a low-temperature tempering treatment (210 °C), for the first time, was performed on the laser-cladded AISI 420 martensitic stainless steel coating. The microstructure and properties of the pre- and post-tempering specimens were carefully investigated by XRD, SEM, TEM, a micro-hardness tester, a universal material testing machine and an electrochemical workstation. The results show that the as-cladded AISI 420 stainless steel coating mainly consisted of martensite, austenite, Fe3C and M23C6 carbides. The phase constituent of the coating remained the same, however, the martensite decomposed into finer tempered martensite with the precipitation of numerous nano-sized Fe3C carbides and reverted austenite in the as-tempered specimen. Moreover, a slight reduction was found in the micro-hardness and tensile strength, while a significant increase in elongation was achieved after tempering. The fractography showed a transition from brittle fracture to ductile fracture accordingly. The as-tempered coating exhibited a striking combination of mechanical properties and corrosion resistance. This work can provide a potential strategy to enhance the overall properties of the laser-deposited Fe-based coating for industrial applications.
A Computational Study on the Variation of Bandgap Due to Native Defects in Non-Stoichiometric NiO and Pd, Pt Doping in Stoichiometric NiO
Authors: Itapu Srikanth , Borra Vamsi , Mossayebi Faramarz
Published: December 2018

This paper presents a computational study of non-stoichiometric nickel oxide in a 64-cell NiO system to model and validate localized heating effects due to nanosecond laser irradiation. Variation in the Bandgap of NiO is studied as a function of varying concentrations of native defects, ranging from 0 to 25%. It is observed that there is a slight increase in the bandgap from 3.80 eV for stoichiometric NiO to 3.86 eV for Ni-rich NiO and to 3.95 eV for O-rich NiO. It is hence deduced that the experimental laser irradiation leads to simultaneous reduction of Ni2+ ions and the oxidation of NiO as the number of laser pulses increase. As well, a detailed study on the effects of doping nickel family elements, i.e., palladium (Pd) and platinum (Pt), in stoichiometric NiO is presented. A bandgap decrease from 3.8 eV for pure NiO to 2.5 eV for Pd-doping and 2.0 eV for Pt-doping for varying doping concentrations ranging from 0–25% Pd, Pt, respectively, is observed.
Selective and Recyclable Sensing of Aqueous Phase 2,4,6-Trinitrophenol (TNP) Based on Cd(II) Coordination Polymer with Zwitterionic Ligand
Authors: Wang Kaimin , Tang Huaijun , Zhang Donghua , Ma Yulu , Wang Yuna
Published: December 2018

A novel coordination polymer, {[Cd4(Dccbp)4]·H2O} (1) (Dccbp = 3,5-dicarboxy-1-(3-carboxybenzyl)pyridin-1-ium) was synthesized under hydrothermal conditions by a zwitterionic organic ligand and characterized by single crystal X-ray diffraction, infrared spectrum (IR), thermogravimetric analysis (TG), powder X-ray diffraction (PXRD) and luminescence. Complex 1 with a pyridine cation basic skeleton has the potential to serve as the first case of a luminescent material based on the zwitterionic type of organic ligand for selective, sensitive, and recyclable sensing of 2,4,6-trinitrophenol in the aqueous phase.
Cyclodextrin-Driven Formation of Double Six-Ring (D6R) Silicate Cage: NMR Spectroscopic Characterization from Solution to Crystals
Authors: Haouas Mohamed , Falaise Clément , Martineau-Corcos Charlotte , Cadot Emmanuel
Published: December 2018

Identification and isolation of secondary building units (SBUs) from synthesis media of zeolites still represent a challenging task for chemists. The cage structure anion Si12O3012− known as the double six-ring (D6R) was synthesized from α-cyclodextrin (α-CD) mediated alkaline silicate solutions and conditions of its stability and reactivity in aqueous solution were studied by using nuclear magnetic resonance (NMR) spectroscopy. A single crystal X-ray diffraction (XRD) analysis revealed a novel polymorph of the hybrid complex K12Si12O30·2α-CD·nD2O (n ≈ 30–40), which crystallizes in the orthorhombic C2221 space group symmetry with a = 14.841(4) Å, b = 25.855(6) Å, and c = 41.91(1) Å. The supramolecular adduct of the silicate anion sandwiched by two α-CDs forms a perfect symmetry matching the H-bonding donor-acceptor system between the organic macrocycle and the D6R unit. The driving force of such a hybrid assembly has found to be strongly dependent on the nature of the cation present as large alkali counter ions (K+, Rb+ and Cs+), which stabilize the D6R structure acting as templates. Lastly, we provided the first 29Si MAS NMR measurement of 3Q Si in an isolated D6R unit that allows the verification of the linear correlation between the chemical shift and  bond angle for 3Q Si species in DnR cages (n = 3, 4, 6).