bluuebunny/crossref_metadata_2025 huggingface dataset:
A 2D Tide-Averaged Model for the Long-Term Evolution of an Idealized Tidal Basin-Inlet-Delta System
Authors: Mariotti Giulio , Murshid Shamim
Published: December 2018

We present a model for the morphodynamics of tidal basin-inlet-delta systems at the centennial time scales. Tidal flow is calculated through a friction dominated model, with a semi-empirical correction to account for the advection of momentum. Transport of non-cohesive sediment (sand) is simulated through tidal dispersion, i.e., without explicitly resolving sediment advection. Sediment is also transported downslope through a bed elevation diffusion process. The model is compared to a high-resolution tide-resolving model (Delft3D) with good agreement for different hydrodynamic and sedimentary settings. The model has low sensitivity with respect to temporal and spatial discretization. For the same spatial resolution, the model is about five orders of magnitude faster than tide-resolving models (e.g., Delft3D), and about three orders of magnitude faster than tide-resolving models that use a morphological acceleration factor. This numerical efficiency makes the model suitable to assess long-term changes of large coastal areas. The model’s simplicity makes it suitable for coupling with other physical, ecological, and socio-economic dynamics.
Shear-Assisted Laser Transfer of Metal Nanoparticle Ink to an Elastomer Substrate
Authors: Shin Wooseop , Lim Jaemook , Lee Younggeun , Park Sewoong , Kim Hyeonseok , Cho Hyunmin , Shin Jaeho , Yoon Yeosang , Lee Habeom , Kim Hyun-Jong , Han Seungyong , Ko Seung Hwan , Hong Sukjoon
Published: December 2018

Selective laser sintering of metal nanoparticle ink is an attractive technology for the creation of metal layers at the microscale without any vacuum deposition process, yet its application to elastomer substrates has remained a highly challenging task. To address this issue, we introduced the shear-assisted laser transfer of metal nanoparticle ink by utilizing the difference in thermal expansion coefficients between the elastomer and the target metal electrode. The laser was focused and scanned across the absorbing metal nanoparticle ink layer that was in conformal contact with the elastomer with a high thermal expansion coefficient. The resultant shear stress at the interface assists the selective transfer of the sintered metal nanoparticle layer. We expect that the proposed method can be a competent fabrication route for a transparent conductor on elastomer substrates.
Effect of Applied Stress on T91 Steel Performance in Liquid Lead at 400 °C
Authors: Hojná Anna , Di Gabriele Fosca , Chocholoušek Michal , Rozumová Lucia , Vít Jan
Published: December 2018

The environmental performance of structural materials (e.g., corrosion and environmental assisted cracking) is one of the critical issues being addressed in the development of Generation IV fast reactors. This work aims to support the study of the performance of the ferritic-martensitic steel T91 in liquid lead, under close to operation conditions, in order to assess its suitability for an application in lead fast reactors. T91 steel was tested in air and liquid lead at 400 °C using static and slow loading regimes. Applied stresses were chosen to be slightly above the yield strength in order to evaluate the threshold stress and strain for crack initiation. Three-point bending static exposure and constant extension tests of tapered specimens were performed. Post-test surfaces and cross sections of specimens were observed using scanning electron microscopy techniques in order to detect cracks and to analyze oxide layers. The effect of strain rate of the oxide layer cracking was observed. In conclusion, T91 was not susceptible to liquid metal embrittlement, a special case of environmentally assisted cracking under the testing conditions. The cracking conditions are discussed based on previous experience.
Fatigue Performance of ABS Specimens Obtained by Fused Filament Fabrication
Authors: Domingo-Espin Miquel , Travieso-Rodriguez J. Antonio , Jerez-Mesa Ramn , Lluma-Fuentes Jordi
Published: December 2018

In this paper, the fatigue response of fused filament fabrication (FFF) Acrylonitrile butadiene styrene (ABS) parts is studied. Different building parameters (layer height, nozzle diameter, infill density, and printing speed) were chosen to study their influence on the lifespan of cylindrical specimens according to a design of experiments (DOE) using the Taguchi methodology. The same DOE was applied on two different specimen sets using two different infill patterns—rectilinear and honeycomb. The results show that the infill density is the most important parameter for both of the studied patterns. The specimens manufactured with the honeycomb pattern show longer lifespans. The best parameter set associated to that infill was chosen for a second experimental phase, in which the specimens were tested under different maximum bending stresses so as to construct the Wöhler curve associated with this 3D printing configuration. The results of this study are useful to design and manufacture ABS end-use parts that are expected to work under oscillating periodic loads.
Damage of Hygrothermally Conditioned Carbon Epoxy Composites under High-Velocity Impact
Authors: Liu Xiang , Gu Weimin , Liu Qiwen , Lai Xin , Liu Lisheng
Published: December 2018

The influence of hygrothermal aging on high-velocity impact damage of carbon fiber-reinforced polymer (CFRP) laminates is investigated. Composite laminate specimens were preconditioned in water at 70 °C. The laminates were subsequently impacted by flat-, sphere-, and cone- ended projectiles with velocities of 45, 68, and 86 m/s. The incident and residual velocities were collected during the impact test. The impact-induced damages were measured by ultrasonic C-scan, a digital microscope system, and a scanning electron microscope. The results show that the hygrothermally conditioned laminates offer a higher energy absorption during high-velocity impact. Due to the weakening of the interlaminar properties, the hygrothermally conditioned laminates are more susceptible to delamination failure, and shear-induced debonding dominates. The projected delamination area increases with the increment of impact velocity. The damaged region becomes close to a circular shape after hydrothermal conditioning, and close to a rhomboidal shape for the dry specimens.
Bioactive Glasses and Glass-Ceramics for Healthcare Applications in Bone Regeneration and Tissue Engineering
Authors: Fernandes Hugo R. , Gaddam Anuraag , Rebelo Avito , Brazete Daniela , Stan George E. , Ferreira José M. F.
Published: December 2018

The discovery of bioactive glasses (BGs) in the late 1960s by Larry Hench et al. was driven by the need for implant materials with an ability to bond to living tissues, which were intended to replace inert metal and plastic implants that were not well tolerated by the body. Among a number of tested compositions, the one that later became designated by the well-known trademark of 45S5 Bioglass® excelled in its ability to bond to bone and soft tissues. Bonding to living tissues was mediated through the formation of an interfacial bone-like hydroxyapatite layer when the bioglass was put in contact with biological fluids in vivo. This feature represented a remarkable milestone, and has inspired many other investigations aiming at further exploring the in vitro and in vivo performances of this and other related BG compositions. This paradigmatic example of a target-oriented research is certainly one of the most valuable contributions that one can learn from Larry Hench. Such a goal-oriented approach needs to be continuously stimulated, aiming at finding out better performing materials to overcome the limitations of the existing ones, including the 45S5 Bioglass®. Its well-known that its main limitations include: (i) the high pH environment that is created by its high sodium content could turn it cytotoxic; (ii) and the poor sintering ability makes the fabrication of porous three-dimensional (3D) scaffolds difficult. All of these relevant features strongly depend on a number of interrelated factors that need to be well compromised. The selected chemical composition strongly determines the glass structure, the biocompatibility, the degradation rate, and the ease of processing (scaffolds fabrication and sintering). This manuscript presents a first general appraisal of the scientific output in the interrelated areas of bioactive glasses and glass-ceramics, scaffolds, implant coatings, and tissue engineering. Then, it gives an overview of the critical issues that need to be considered when developing bioactive glasses for healthcare applications. The aim is to provide knowledge-based tools towards guiding young researchers in the design of new bioactive glass compositions, taking into account the desired functional properties.
Serret-Frenet Frame and Curvatures of Bézier Curves
Authors: Erkan Esra , Yüce Salim
Published: December 2018

The aim of this study is to view the role of Bézier curves in both the Euclidean plane E 2 and Euclidean space E 3 with the help of the fundamental algorithm which is commonly used in Computer Science and Applied Mathematics and without this algorithm. The Serret-Frenet elements of non-unit speed curves in the Euclidean plane E 2 and Euclidean space E 3 are given by Gray et al. in 2016. We used these formulas to find Serret-Frenet elements of planar Bézier curve at the end points and for every parameter t. Moreover, we reconstruct these elements for a planar Bézier curve, which is defined by the help of the algorithm based on intermediate points. Finally, in the literature, the spatial Bézier curve only mentioned at the end points, so we improve these elements for all parameters t. Additionally, we calculate these elements for all parameters t using algorithm above mentioned for spatial Bézier curve.
Coopetitive Games for Management of Marine Transportation Activity: A Study Case
Authors: Donato Alessia , Carfì David , Blandina Beatrice
Published: December 2018

In this paper, we will use coopetitive game theory to analyze a case of real coopetition among port companies, for what concerns loading and unloading of goods, within a competitive management scenario of marine transportation activities. Our research consists of the analysis of a study case involving coopetition between two real companies from which we obtained the financial and contractual data allowing us to define two modeling payoff functions, both of them based on real agreements and tariffs. We recognize actual coopetition and an asymmetric R&D alliance in this type of agreement, where a bigger enterprise deals with a smaller competitor, in order to capture more value from their activities. In particular, our model will show a precise coopetitive bi-dimensional trajectory within which we suggest, after a quantitative analysis, different kinds of solutions: the purely coopetitive solution, a Kalai-Smorodinsky solution and, finally, a transferable utility Kalai-Smorodinsky solution. Our methods provide specific strategy procedures determining win-win solutions for both.
Soft Neutrosophic Modules
Authors: Bal Mikail , Olgun Necati
Published: December 2018

In this study, for the first time, we study some basic definitions of soft neutrosophic modules in algebra being generalized and its several related properties, structural characteristics are investigated with suitable examples. In this paper, we utilized neutrosophic soft sets and neutrosophic modules. As a result, we defined soft neutrosophic modules. After weak soft neutrosophic modules and strong soft neutrosophic modules are described and illustrated by examples. Finally soft neutrosophic module homomorphism is defined and soft neutrosophic module isomorphism is explained.
U-Shaped Assembly Line Balancing by Using Differential Evolution Algorithm
Authors: Sresracoo Poontana , Kriengkorakot Nuchsara , Kriengkorakot Preecha , Chantarasamai Krit
Published: December 2018

The objective of this research is to develop metaheuristic methods by using the differential evolution (DE) algorithm for solving the U-shaped assembly line balancing problem Type 1 (UALBP-1). The proposed DE algorithm is applied for balancing the lines (manufacturing a single product within a fixed given cycle time), where the aim is to minimize the number of workstations. After establishing the method, the results from previous research studies were compared with the results from this study. For the UALBP, two groups of benchmark problems were used for the experiments: (1) For the medium-sized UALBP (21–45 tasks), it was found that the DE algorithm DE/best/2 to Exponential Crossover 1 produced better solutions when compared to the other metaheuristic methods: it could generate 25 optimal solutions from a total of 25 instances, and the average time used for the calculation was 0.10 seconds/instance; (2) for the large-scale UALBP (75–297 tasks), it was found that the basic DE algorithm and improved differential evolution algorithm generated better solutions, and DE/best/2 to Exponential Crossover 1 generated the optimal solutions and achieved the minimum solution search time when compared to the other metaheuristic methods: it could generate 36 optimal solutions from a total of 62 instances, and the average time used for the calculation was 4.88 seconds/instance. From the comparison of the DE algorithms, it was found that the improved differential evolution algorithm generated optimal solutions with a better solution search time than the search time of the basic differential evolution algorithm. The basic and improved DE algorithm are the effective methods for balancing UALBP-1 when compared to the other metaheuristic methods.
Analgesic Activity of Acid-Sensing Ion Channel 3 (ASIС3) Inhibitors: Sea Anemones Peptides Ugr9-1 and APETx2 versus Low Molecular Weight Compounds
Authors: Andreev Yaroslav A. , Osmakov Dmitry I. , Koshelev Sergey G. , Maleeva Ekaterina E. , Logashina Yulia A. , Palikov Victor A. , Palikova Yulia A. , Dyachenko Igor A. , Kozlov Sergey A.
Published: December 2018

Acid-sensing ion channel 3 (ASIC3) makes an important contribution to the development and maintenance of inflammatory and acid-induced pain. We compared different ASIC3 inhibitors (peptides from sea anemones (APETx2 and Ugr9-1) and nonpeptide molecules (sevanol and diclofenac)) in anti-inflammatory action and analgesic effects. All tested compounds had distinct effects on pH-induced ASIC3 current. APETx2 inhibited only transient current, whereas Ugr9-1 and sevanol decreased transient and sustained components of the current. The effect on mice was evaluated after administering an intramuscular injection in the acetic acid writhing pain model and the complete Freund’s adjuvant-induced thermal hyperalgesia/inflammation test. The bell-shaped dependence of the analgesic effect was observed for APETx2 in the acetic acid-induced writhing test, as well as for sevanol and peptide Ugr9-1 in the thermal hyperalgesia test. This dependence could be evidence of the nonspecific action of compounds in high doses. Compounds reducing both components of ASIC3 current produced more significant pain relief than APETx2, which is an effective inhibitor of a transient current only. Therefore, the comparison of the efficacy of ASIC3 inhibitors revealed the importance of ASIC3-sustained currents’ inhibition for promotion of acidosis-related pain relief.
Assessing the Role of Artificial Intelligence (AI) in Clinical Oncology: Utility of Machine Learning in Radiotherapy Target Volume Delineation
Authors: Boon Ian S. , Au Yong Tracy P. T. , Boon Cheng S.
Published: December 2018

The fields of radiotherapy and clinical oncology have been rapidly changed by the advances of technology. Improvement in computer processing power and imaging quality heralded precision radiotherapy allowing radiotherapy to be delivered efficiently, safely and effectively for patient benefit. Artificial intelligence (AI) is an emerging field of computer science which uses computer models and algorithms to replicate human-like intelligence and perform specific tasks which offers a huge potential to healthcare. We reviewed and presented the history, evolution and advancement in the fields of radiotherapy, clinical oncology and machine learning. Radiotherapy target delineation is a complex task of outlining tumour and organ at risks volumes to allow accurate delivery of radiotherapy. We discussed the radiotherapy planning, treatment delivery and reviewed how technology can help with this challenging process. We explored the evidence and clinical application of machine learning to radiotherapy. We concluded on the challenges, possible future directions and potential collaborations to achieve better outcome for cancer patients.
Transglutaminases in Monocytes and Macrophages
Authors: Sun Huifang , Kaartinen Mari T.
Published: December 2018

Macrophages are key players in various inflammatory disorders and pathological conditions via phagocytosis and orchestrating immune responses. They are highly heterogeneous in terms of their phenotypes and functions by adaptation to different organs and tissue environments. Upon damage or infection, monocytes are rapidly recruited to tissues and differentiate into macrophages. Transglutaminases (TGs) are a family of structurally and functionally related enzymes with Ca2+-dependent transamidation and deamidation activity. Numerous studies have shown that TGs, particularly TG2 and Factor XIII-A, are extensively involved in monocyte- and macrophage-mediated physiological and pathological processes. In the present review, we outline the current knowledge of the role of TGs in the adhesion and extravasation of monocytes, the expression of TGs during macrophage differentiation, and the regulation of TG2 expression by various pro- and anti-inflammatory mediators in macrophages. Furthermore, we summarize the role of TGs in macrophage phagocytosis and the understanding of the mechanisms involved. Finally, we review the roles of TGs in tissue-specific macrophages, including monocytes/macrophages in vasculature, alveolar and interstitial macrophages in lung, microglia and infiltrated monocytes/macrophages in central nervous system, and osteoclasts in bone. Based on the studies in this review, we conclude that monocyte- and macrophage-derived TGs are involved in inflammatory processes in these organs. However, more in vivo studies and clinical studies during different stages of these processes are required to determine the accurate roles of TGs, their substrates, and the mechanisms-of-action.
Design of a Semi-Continuous Selective Layer Based on Deposition of UiO-66 Nanoparticles for Nanofiltration
Authors: Shangkum Goji Y. , Chammingkwan Patchanee , Trinh Dai X. , Taniike Toshiaki
Published: December 2018

Deposition of UiO-66 metal–organic framework nanoparticles onto a porous polymer support is a promising approach to designing highly-permeable, size-selective, flexible, and stable membranes for water filtration. In this article, a series of UiO-66 nanoparticles having different particle sizes were synthesized and employed to prepare UiO-66-deposited composite membranes. It was found that the size of the UiO-66 nanoparticles had great influences on the performance of the composite membranes for the filtration of a methylene blue aqueous solution. The deposition of smaller nanoparticles afforded a selective layer having a greater external surface area and narrower interparticle voids. These features made the deposition of smaller nanoparticles more advantageous in terms of the flux and rejection, while the deposition of greater nanoparticles afforded a selective layer more tolerant for fouling. Bimodal composite membranes were prepared by depositing mixed UiO-66 nanoparticles of smaller and bigger sizes. These membranes successfully combined the advantages of nanoparticles of a distinct size.
Effect of Sub-Zero Treatment Temperatures on Hardness, Flexural Strength, and Fracture Toughness of Vanadis 6 Ledeburitic Die Steel
Authors: Jurči Peter , Dlouhý Ivo , Priknerová Petra , Mrštný Zdeněk
Published: December 2018

Any improvement on the service life of tools reduces the tooling costs, and assists to increase labor productivity by decreasing the needs for either the tools’ re-grinding or their replacement. This requires, among others, an enhancement of the key mechanical properties of the tool materials, by newer treatment route development. The current paper describes the impact of different heat treatment regimes, including austenitizing; sub-zero treatments; and tempering on the hardness, flexural strength, and toughness of tool steel, which is demonstrated upon Vanadis 6 steel. An improvement in the hardness due to the sub-zero treatment is reported, but it is also pointed out that both the flexural strength and fracture toughness of the material cannot be inevitably deteriorated by the application of this processing. Finally, it is demonstrated that both of these properties, despite their conflicting relationship, in most cases, can be improved simultaneously when the material is treated in the proper way.
Compensation of Vertical Position Error Using a Force–Deflection Model in Friction Stir Spot Welding
Authors: Yoon Jinyoung , Kim Cheolhee , Rhee Sehun
Published: December 2018

Despite increasing need for friction stir spot welding (FSSW) for high-temperature softening materials, system deflection due to relatively high plunging force remains an obstacle. System deflection results in the vertical position error of a welding tool and insufficient plunge depth. In this study, we used adaptive control to maintain plunge depth, the plunging force was coaxially measured, and the position error was estimated using a force–deflection model. A linear relationship was confirmed between the force and deflection; this relationship is dependent on the stiffness of the welding system while independent of process parameters and base materials. The proposed model was evaluated during the FSSW of an Al 6061-T6 alloy sheet and a dissimilar metal combination of Al 6061-T6 alloy/dual phase (DP) 590 steel. Under varying process parameters, the adaptive control maintained a plunge depth with an error of less than 50 μm. Conventional position control has a maximum error of nearly 300 μm.
Effect of Extensive and Limited Plastic Deformation on Recrystallized Microstructure of Oxide Dispersion Strengthened Fe-Cr-Al Alloy
Authors: Capdevila Carlos , Rementeria Rosalia , Aranda Maria M. , Vivas Javier , Chao Jesus , Amigó Vicente
Published: December 2018

Ferritic oxide dispersion-strengthened alloys (ODS) are manufactured using a mechanical alloying process. The development of a coarse-grained microstructure during recrystallization has been detected and discussed by several authors, but the mechanism of grain growth remains uncertain. Recent work has emphasized the large influence of non-uniformities on the development of the recrystallized microstructure. The purpose of the present work is to study the effect of both slight heterogeneous plastic strains and strong directional deformation on recrystallization of a ferritic Fe-base ODS alloy.
Nanoindentation of Soft Biological Materials
Authors: Qian Long , Zhao Hongwei
Published: December 2018

Nanoindentation techniques, with high spatial resolution and force sensitivity, have recently been moved into the center of the spotlight for measuring the mechanical properties of biomaterials, especially bridging the scales from the molecular via the cellular and tissue all the way to the organ level, whereas characterizing soft biomaterials, especially down to biomolecules, is fraught with more pitfalls compared with the hard biomaterials. In this review we detail the constitutive behavior of soft biomaterials under nanoindentation (including AFM) and present the characteristics of experimental aspects in detail, such as the adaption of instrumentation and indentation response of soft biomaterials. We further show some applications, and discuss the challenges and perspectives related to nanoindentation of soft biomaterials, a technique that can pinpoint the mechanical properties of soft biomaterials for the scale-span is far-reaching for understanding biomechanics and mechanobiology.
Experimental and Theoretical Study on the Synergistic Inhibition Effect of Pyridine Derivatives and Sulfur-Containing Compounds on the Corrosion of Carbon Steel in CO2-Saturated 3.5 wt.% NaCl Solution
Authors: Tang Junlei , Hu Yuxin , Han Zhongzhi , Wang Hu , Zhu Yuanqiang , Wang Yuan , Nie Zhen , Wang Yingying
Published: December 2018

The corrosion inhibition performance of pyridine derivatives (4-methylpyridine and its quaternary ammonium salts) and sulfur-containing compounds (thiourea and mercaptoethanol) with different molar ratios on carbon steel in CO2-saturated 3.5 wt.% NaCl solution was investigated by weight loss, potentiodynamic polarization, electrochemical impedance spectroscopy, and scanning electron microscopy. The synergistic corrosion inhibition mechanism of mixed inhibitors was elucidated by the theoretical calculation and simulation. The molecules of pyridine derivative compounds with a larger volume has priority to adsorb on the metal surface, while the molecules of sulfur-containing compounds with a smaller volume fill in vacancies. A dense adsorption film would be formed when 4-PQ and sulfur-containing compounds are added at a proper mole ratio.
Combining a QSAR Approach and Structural Analysis to Derive an SAR Map of Lyn Kinase Inhibition
Authors: Naboulsi Imane , Aboulmouhajir Aziz , Kouisni Lamfeddal , Bekkaoui Faouzi , Yasri Abdelaziz
Published: December 2018

Lyn kinase, a member of the Src family of protein tyrosine kinases, is mainly expressed by various hematopoietic cells, neural and adipose tissues. Abnormal Lyn kinase regulation causes various diseases such as cancers. Thus, Lyn represents, a potential target to develop new antitumor drugs. In the present study, using 176 molecules (123 training set molecules and 53 test set molecules) known by their inhibitory activities (IC50) against Lyn kinase, we constructed predictive models by linking their physico-chemical parameters (descriptors) to their biological activity. The models were derived using two different methods: the generalized linear model (GLM) and the artificial neural network (ANN). The ANN Model provided the best prediction precisions with a Square Correlation coefficient R2 = 0.92 and a Root of the Mean Square Error RMSE = 0.29. It was able to extrapolate to the test set successfully (R2 = 0.91 and RMSE = 0.33). In a second step, we have analyzed the used descriptors within the models as well as the structural features of the molecules in the training set. This analysis resulted in a transparent and informative SAR map that can be very useful for medicinal chemists to design new Lyn kinase inhibitors.
Structural Features of Heparan Sulfate from Multiple Osteochondromas and Chondrosarcomas
Authors: Veraldi Noemi , Parra Alessandro , Urso Elena , Cosentino Cesare , Locatelli Manuela , Corsini Serena , Pedrini Elena , Naggi Annamaria , Bisio Antonella , Sangiorgi Luca
Published: December 2018

Multiple osteochondromas (MO) is a hereditary disorder associated with benign cartilaginous tumors, known to be characterized by absence or highly reduced amount of heparan sulfate (HS) in the extracellular matrix of growth plate cartilage, which alters proper signaling networks leading to improper bone growth. Although recent studies demonstrated accumulation of HS in the cytoplasm of MO chondrocytes, nothing is known on the structural alterations which prevent HS from undergoing its physiologic pathway. In this work, osteochondroma (OC), peripheral chondrosarcoma, and healthy cartilaginous human samples were processed following a procedure previously set up to structurally characterize and compare HS from pathologic and physiologic conditions, and to examine the phenotypic differences that arise in the presence of either exostosin 1 or 2 (EXT1 or EXT2) mutations. Our data suggest that HS chains from OCs are prevalently below 10 kDa and slightly more sulfated than healthy ones, whereas HS chains from peripheral chondrosarcomas (PCSs) are mostly higher than 10 kDa and remarkably more sulfated than all the other samples. Although deeper investigation is still necessary, the approach here applied pointed out, for the first time, structural differences among OC, PCS, and healthy HS chains extracted from human cartilaginous excisions, and could help in understanding how the structural features of HS are modulated in the presence of pathological situations also involving different tissues.
Activity Landscape and Molecular Modeling to Explore the SAR of Dual Epigenetic Inhibitors: A Focus on G9a and DNMT1
Authors: López-López Edgar , Prieto-Martínez Fernando D. , Medina-Franco José L.
Published: December 2018

In this work we discuss the insights from activity landscape, docking and molecular dynamics towards the understanding of the structure-activity relationships of dual inhibitors of major epigenetic targets: lysine methyltransferase (G9a) and DNA methyltranferase 1 (DNMT1). The study was based on a novel data set of 50 published compounds with reported experimental activity for both targets. The activity landscape analysis revealed the presence of activity cliffs, e.g., pairs of compounds with high structure similarity but large activity differences. Activity cliffs were further rationalized at the molecular level by means of molecular docking and dynamics simulations that led to the identification of interactions with key residues involved in the dual activity or selectivity with the epigenetic targets.
From the Eukaryotic Molybdenum Cofactor Biosynthesis to the Moonlighting Enzyme mARC
Authors: Tejada-Jimenez Manuel , Chamizo-Ampudia Alejandro , Calatrava Victoria , Galvan Aurora , Fernandez Emilio , Llamas Angel
Published: December 2018

All eukaryotic molybdenum (Mo) enzymes contain in their active site a Mo Cofactor (Moco), which is formed by a tricyclic pyranopterin with a dithiolene chelating the Mo atom. Here, the eukaryotic Moco biosynthetic pathway and the eukaryotic Moco enzymes are overviewed, including nitrate reductase (NR), sulfite oxidase, xanthine oxidoreductase, aldehyde oxidase, and the last one discovered, the moonlighting enzyme mitochondrial Amidoxime Reducing Component (mARC). The mARC enzymes catalyze the reduction of hydroxylated compounds, mostly N-hydroxylated (NHC), but as well of nitrite to nitric oxide, a second messenger. mARC shows a broad spectrum of NHC as substrates, some are prodrugs containing an amidoxime structure, some are mutagens, such as 6-hydroxylaminepurine and some others, which most probably will be discovered soon. Interestingly, all known mARC need the reducing power supplied by different partners. For the NHC reduction, mARC uses cytochrome b5 and cytochrome b5 reductase, however for the nitrite reduction, plant mARC uses NR. Despite the functional importance of mARC enzymatic reactions, the structural mechanism of its Moco-mediated catalysis is starting to be revealed. We propose and compare the mARC catalytic mechanism of nitrite versus NHC reduction. By using the recently resolved structure of a prokaryotic MOSC enzyme, from the mARC protein family, we have modeled an in silico three-dimensional structure of a eukaryotic homologue.
Fusaproliferin, a Fungal Mycotoxin, Shows Cytotoxicity against Pancreatic Cancer Cell Lines
Authors: Hoque Nazia , Hasan Choudhury , Rana Md. , Varsha Amrit , Sohrab Md. , Rahman Khondaker
Published: December 2018

As a part of our ongoing research on endophytic fungi, we have isolated a sesterterpene mycotoxin, fusaproliferin (FUS), from a Fusarium solani strain, which is associated with the plant Aglaonema hookerianum Schott. FUS showed rapid and sub-micromolar IC50 against pancreatic cancer cell lines. Time-dependent survival analysis and microscopy imaging showed rapid morphological changes in cancer cell lines 4 h after incubation with FUS. This provides a new chemical scaffold that can be further developed to obtain more potent synthetic agents against pancreatic cancer.
Formation and Characterization of Lactoferrin-Hyaluronic Acid Conjugates and Their Effects on the Storage Stability of Sesamol Emulsions
Authors: Liu Runhua , Zhang Jinhong , Zhao Caicai , Duan Xiang , McClements David Julian , Liu Xuebo , Liu Fuguo
Published: December 2018

The purpose of this study was to fabricate biopolymer conjugates from lactoferrin (LF) and hyaluronic acid (HA) and then to investigate their potential as emulsifiers for forming sesamol-loaded emulsions. Initially, LF-HA covalent conjugates were formed using the carbodiimide coupling method in aqueous solutions at pH = 4.5, and then the nature of the conjugates was investigated using sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE), Fourier Transform Infrared Spectroscopy (FTIR) spectroscopy, and fluorescence spectroscopy. The results demonstrated the formation of an amide link between the amine groups of LF and the carboxyl groups of HA. Sesamol emulsions were prepared using the LF-HA conjugates as emulsifiers and their stability was determined. The conjugates improved both the physical and chemical stability of the emulsions during storage. Optimum stability of the emulsion was obtained at a LF-to-HA molar ratio of 2:1. Our results suggest that LF-HA conjugates may be effective emulsifiers for use in food stuffs and other applications.
Copper-Promoted Cross-Coupling Reactions for the Synthesis of Aryl(difluoromethyl)phosphonates Using Trimethylsilyl(difluoromethyl)phosphonate
Authors: Komoda Kazuki , Iwamoto Rei , Kasumi Masakazu , Amii Hideki
Published: December 2018

A convenient and effective route for the synthesis of aryl(difluoromethyl)phosphonates has been developed based on cross-coupling reactions. Upon treatment with a stoichiometric amount (or a catalytic amount in some cases) of CuI and CsF, aryl iodides reacted smoothly with (silyldifluoromethyl)phosphonates to give the corresponding aryl(difluoromethyl)phosphonates in good yields.
Continuous Gradient Temperature Raman Spectroscopy of Fish Oils Provides Detailed Vibrational Analysis and Rapid, Nondestructive Graphical Product Authentication
Authors: Broadhurst C. Leigh , Schmidt Walter F. , Qin Jianwei , Chao Kuanglin , Kim Moon S.
Published: December 2018

Background: Gradient temperature Raman spectroscopy (GTRS) applies the continuous temperature gradients utilized in differential scanning calorimetry (DSC) to Raman spectroscopy, providing a new means for rapid high throughput material identification and quality control. Methods: Using 20 Mb three-dimensional data arrays with 0.2 °C increments and first/second derivatives allows complete assignment of solid, liquid and transition state vibrational modes. The entire set or any subset of the any of the contour plots, first derivatives or second derivatives can be utilized to create a graphical standard to quickly authenticate a given source. In addition, a temperature range can be specified that maximizes information content. Results: We compared GTRS and DSC data for five commercial fish oils that are excellent sources of docosahexaenoic acid (DHA; 22:6n-3) and eicosapentaenoic acid (EPA; 20:5n-3). Each product has a unique, distinctive response to the thermal gradient, which graphically and spectroscopically differentiates them. We also present detailed Raman data and full vibrational mode assignments for EPA and DHA. Conclusion: Complex lipids with a variety of fatty acids and isomers have three dimensional structures based mainly on how structurally similar sites pack. Any localized non-uniformity in packing results in discrete “fingerprint” molecular sites due to increased elasticity and decreased torsion.
Thermal Transport of Graphene Sheets with Fractal Defects
Authors: Kang Yang , Duan Fuyan , Shangguan Shaoxin , Zhang Yixin , Zhou Tianpei , Si Bingcheng
Published: December 2018

Graphene combined with fractal structures would probably be a promising candidate design of an antenna for a wireless communication system. However, the thermal transport properties of fractal graphene, which would influence the properties of wireless communication systems, are unclear. In this paper, the thermal transport properties of graphene with a Sierpinski fractal structure were investigated via the reverse non-equilibrium molecular dynamics simulation method. Simulation results indicated that the thermal conductivity of graphene with fractal defects decreased from 157.62 to 19.60 (W m−1 K−1) as the fractal level increased. Furthermore, visual display and statistical results of fractal graphene atomic heat flux revealed that with fractal levels increasing, the real heat flux paths twisted, and the angle distributions of atomic heat flux vectors enlarged from about (−30°, 30°) to about (−45°, 45°). In fact, the fractal structures decreased the real heat flow areas and extended the real heat flux paths, and enhanced the phonon scattering in the defect edges of the fractal graphene. Analyses of fractal graphene thermal transport characters in our work indicated that the heat transfer properties of fractal graphene dropped greatly as fractal levels increased, which would provide effective guidance to the design of antennae based on fractal graphene.
Combination of Dry Milling and Separation Processes with Anaerobic Digestion of Olive Mill Solid Waste: Methane Production and Energy Efficiency
Authors: Elalami Doha , Carrère Hélène , Abdelouahdi Karima , Oukarroum Abdallah , Dhiba Driss , Arji Mohamed , Barakat Abdellatif
Published: December 2018

This experimental work aims at investigating the effects of milling; sieving; and electrostatic separation on the biochemical methane potential of two olive pomaces from traditional olive oil extraction (M) and from a three-phase system (T). Sieving proved to be efficient for increasing the soluble chemical oxygen demand in the smallest fractions of the sieve of both M (62%) and T (78%) samples. The positive fraction following electrostatic separation also enhanced chemical oxygen demand (COD) solubilisation by 94%, in comparison to sample T milled at 4 mm. Sieve fractions with a size greater than 0.9 mm contained 33% and 47% less lipids for the M and T biomasses; respectively. Dry fractionation modified sample properties as well as lipid and fiber distribution. Concomitantly; milling increased the accessibility and facilitated the release of organic matter. The energy balance was positive after knife milling and sieving; while ball milling and ultrafine milling proved to be inefficient.
Oleiferasaponin A2, a Novel Saponin from Camellia oleifera Abel. Seeds, Inhibits Lipid Accumulation of HepG2 Cells Through Regulating Fatty Acid Metabolism
Authors: Di Tai-Mei , Yang Shao-Lan , Du Feng-Yu , Zhao Lei , Li Xiao-Han , Xia Tao , Zhang Xin-Fu
Published: December 2018

A new triterpenoid saponin, named oleiferasaponin A2, was isolated and identified from Camellia oleifera defatted seeds. Oleiferasaponin A2 exhibited anti-hyperlipidemic activity on HepG2 cell lines. Further study of the hypolipidemic mechanism showed that oleiferasaponin A2 inhibited fatty acid synthesis by significantly down-regulating the expression of SREBP-1c, FAS and FAS protein, while dramatically promoting fatty acid β-oxidation by up-regulating the expression of ACOX-1, CPT-1 and ACOX-1 protein. Our results demonstrate that the oleiferasaponin A2 possesses potential medicinal value for hyperlipidemia treatment.
Refractory Ultra-Broadband Perfect Absorber from Visible to Near-Infrared
Authors: Gao Huixuan , Peng Wei , Chu Shuwen , Cui Wenli , Liu Zhi , Yu Li , Jing Zhenguo
Published: December 2018

The spectral range of solar radiation observed on the earth is approximately 295 to 2500 nm. How to widen the absorption band of the plasmonic absorber in this range has become a hot issue in recent years. In this paper, we propose a highly applicable refractory perfect absorber with an elliptical titanium nanodisk array based on a silica–titanium–silica–titanium four-layer structure. Through theoretical design and numerical demonstration, the interaction of surface plasmon resonance with the Fabry–Perot cavity resonance results in high absorption characteristics. Our investigations illustrate that it can achieve ultra-broadband absorption above 90% from a visible 550-nm wavelength to a near-infrared 2200-nm wavelength continuously. In particular, a continuous 712-nm broadband perfect absorption of up to 99% is achieved from wavelengths from 1013 to 1725 nm. The air mass 1.5 solar simulation from a finite-difference time domain demonstrates that this absorber can provide an average absorption rate of 93.26% from wavelengths of 295 to 2500 nm, which can absorb solar radiation efficiently on the earth. Because of the high melting point of Ti material and the symmetrical structure of this device, this perfect absorber has excellent thermal stability, polarization independence, and large incident-angle insensitivity. Hence, it can be used for solar cells, thermal emitters, and infrared detection with further investigation.
Polyphenolic Extract from Tarocco (Citrus sinensis L. Osbeck) Clone “Lempso” Exerts Anti-Inflammatory and Antioxidant Effects via NF-kB and Nrf-2 Activation in Murine Macrophages
Authors: Pepe Giacomo , Sommella Eduardo , Cianciarulo Donato , Ostacolo Carmine , Manfra Michele , Di Sarno Veronica , Musella Simona , Russo Mariateresa , Messore Antonella , Parrino Barbara , Bertamino Alessia , Autore Giuseppina , Marzocco Stefania , Campiglia Pietro
Published: December 2018

Citrus fruits are often employed as ingredients for functional drinks. Among Citrus, the variety, “Lempso”, a typical hybrid of the Calabria region (Southern Italy), has been reported to possess superior antioxidant activity when compared to other common Citrus varieties. For these reasons, the aim of this study is to investigate in vitro the nutraceutical value of the Tarocco clone, “Lempso”, highlighting its anti-inflammatory and antioxidant potential. A post-column 2,2′-diphenyl-1-picrylhydrazyl (DPPH•) radical scavenging assay for the screening of antioxidant compounds in these complex matrices was developed. Subsequently, polyphenolic extract was tested on a murine macrophage cell line under inflammatory conditions. The extract resulted was able to significantly inhibit nitric oxide (NO) and cytokine release and inducible nitric oxide synthase (iNOS) and cycloxygenase-2 (COX-2) expression. The inhibition of these pro-inflammatory factors was associated to Nuclear factor-kB (NF-kB) inhibition. Our results also indicate an anti-oxidant potential of the extract as evidenced by the inhibition of reactive oxygen species (ROS) release and by the activation of the nuclear factor E2-related factor-2 (Nrf-2) pathway in macrophages. The obtained results highlight the anti-inflammatory and antioxidant potential of Lempso extract and its potential use, as a new ingredient for the formulation of functional beverages with high nutraceutical value, providing health benefits to consumers.
Myricetin Exerts Anti-Obesity Effects through Upregulation of SIRT3 in Adipose Tissue
Authors: Akindehin Seun , Jung Young-Suk , Kim Sang-Nam , Son Yeon-Ho , Lee Icksoo , Seong Je Kyung , Jeong Hyun Woo , Lee Yun-Hee
Published: December 2018

Myricetin is a biologically active natural polyphenol with beneficial effects on metabolic health. This study aimed to examine the effects of myricetin on the expression levels of genes involved in lipolysis and mitochondrial respiration in adipocytes and the anti-obesity potential of myricetin. The results indicated that myricetin reduced triglyceride (TG) content and increased mitochondrial content and oxygen consumption rate (OCR) in adipocytes in vitro. To determine anti-obesity effect of myricetin, C57BL6/J mice were fed a high-fat diet (HFD) for eight weeks and then treated with myricetin (10 mg/kg) for 2 weeks. The in vivo treatment of myricetin reduced body weight by 11%. Furthermore, it improved the glucose tolerance, and increased fatty acid consumption of HFD-fed mice. Myricetin treatment increased Sirt3 expression and reduced the acetylation of mitochondrial proteins in adipose tissue. Finally, the knockdown of Sirt3 in adipocytes reduced the myricetin-induced increase in mitochondrial oxygen consumption rate by about 27% compared to controls. Our results indicated that myricetin exerted anti-obesity effects through the upregulation of Sirt3 expression and mitochondrial metabolism in adipose tissue.
Are Edentulousness, Oral Health Problems and Poor Health-Related Quality of Life Associated with Malnutrition in Community-Dwelling Elderly (Aged 75 Years and Over)? A Cross-Sectional Study
Authors: Bakker Mieke H. , Vissink Arjan , Spoorenberg Sophie L.W. , Jager-Wittenaar Harriët , Wynia Klaske , Visser Anita
Published: December 2018

As the population ages, the risk of becoming malnourished increases. Research has shown that poor oral health can be a risk factor for malnutrition in institutionalized elderly. However, it remains unclear whether oral health problems, edentulousness and health-related quality of life also pose a risk for malnutrition in community-dwelling older adults. In this cross-sectional observational study, 1325 community-living elderly (≥75 years) were asked to complete questionnaires regarding nutritional status, oral status (edentulous, remaining teeth, or implant-supported overdentures), oral health problems, health-related quality of life (HRQoL), frailty, activities of daily living (ADL) and complexity of care needs. Univariate and multivariate logistic regression analyses were performed with nutritional status as dependent variable. Of the respondents, 51% (n = 521) were edentulous, 38.8% (n = 397) had remaining teeth and 10.2% (n = 104) had an implant-supported overdenture. Elderly with complex care needs were malnourished most frequently, followed by frail and robust elderly (10%, 4.5% and 2.9%, respectively). Malnourished elderly reported more frequent problems with chewing and speech when compared with well-nourished elderly (univariate analysis). However, multivariate analysis did not show an association between malnutrition and oral health problems and edentulousness, although HRQoL was associated with malnutrition (odds ratio (OR) 0.972, confidence interval (CI) 0.951–0.955). Based on the results of this cross-sectional study, it can be concluded that poor HRQoL is significantly associated with malnutrition; however, edentulousness and oral health problems are not.
Bunch Length Measurement Employing Cherenkov Radiation from a Thin Silica Aerogel
Authors: Nanbu Ken-ichi , Saito Yuki , Saito Hirotoshi , Kashiwagi Shigeru , Hinode Fujio , Muto Toshiya , Hama Hiroyuki
Published: December 2018

The temporal profile measurement for ultra-short electron bunches is one of the key issues for accelerator-based coherent light sources. A bunch length measurement system using Cherenkov radiation (CR) is under development at the Research Center for Electron Photon Science, Tohoku University. This system allows for the real-time diagnostics of electron bunches. The system comprises a thin silica aerogel as the Cherenkov radiator, a specially designed optical transport line, and a high-speed streak camera. The electron bunch length can be obtained by measuring the time spread of the CR from the electrons passing through the radiator medium using the streak camera. In this paper, we describe the novel bunch length measurement system using CR, discuss the expected time resolution of the system, and finally present the measurement results.