bluuebunny/crossref_metadata_2025 huggingface dataset:
Detection of Metabolic Changes Induced via Drug Treatments in Live Cancer Cells and Tissue Using Raman Imaging Microscopy
Authors: Larion Mioara , Dowdy Tyrone , Ruiz-Rodado Victor , Meyer Matthew W. , Song Hua , Zhang Wei , Davis Dionne , Gilbert Mark R. , Lita Adrian
Published: December 2018

Isocitrate dehydrogenase 1 (IDH1) mutations in gliomas, fibrosarcoma, and other cancers leads to a novel metabolite, D-2-hydroxyglutarate, which is proposed to cause tumorigenesis. The production of this metabolite also causes vulnerabilities in cellular metabolism, such as lowering NADPH levels. To exploit this vulnerability, we treated glioma and fibrosarcoma cells that harbor an IDH1 mutation with an inhibitor of nicotinamide adenine dinucleotide (NAD+) salvage pathway, FK866, and observed decreased viability in these cells. To understand the mechanism of action by which the inhibitor FK866 works, we used Raman imaging microscopy and identified that proteins and lipids are decreased upon treatment with the drug. Raman imaging showed a different distribution of lipids throughout the cell in the presence of the drug compared with the untreated cells. We employed nuclear magnetic resonance NMR spectroscopy and mass spectrometry to identify the classes of lipids altered. Our combined analyses point to a decrease in cell division due to loss of lipid content that contributes to membrane formation in the in vitro setting. However, the FK866 drug did not have the same potency in vivo. The use of Raman imaging microscopy indicated an opposite trend of lipid distribution in the tissue collected from treated versus untreated mice when compared with the cells. These results demonstrate the role of Raman imaging microscopy to identify and quantify metabolic changes in cancer cells and tissue.
Performance of Date Palm Ash as a Cementitious Material by Evaluating Strength, Durability, and Characterization
Authors: Nasir Muhammad , Al-Kutti Walid
Published: December 2018

Cement manufacturing is indeed a major contributor to global warming that involves energy-intensive production processes along with emitting huge greenhouse gasses into the atmosphere. To adopt sustainable construction practices, agro-industrial waste materials as supplementary cementitious materials (SCMs) have been used by numerous researchers to partially replace conventional ordinary Portland cement (OPC) with SCMs by evaluating its optimum replacement dosage. This study aims to: (1) highlight the background of the date palm tree and the application of date palm waste as a construction material; (2) optimizing the dosage of date palm ash (DPA) as a cementitious material, at the replacement level of 10%, 20%, and 30%; and (3) understand the reaction kinetics by way of characterization techniques. DPA-based binary mixes were compared with each other and with the control (100% OPC mix) through fresh, mechanical, durability, and microstructural properties. The mechanism of reaction at early- and long-term period of curing was studied by characterization tests on paste, including nitrogen adsorption test (BET), X-ray diffraction (XRD), thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FT-IR). The outcome revealed 10% DPA as a strong and durable substitute to OPC, by formation of more Calcium Silicate Hydrate (C-S-H) and Calcium Aluminosilicate Hydrate (C-A-S-H) gel, whereas up to 30% DPA replacement can further maximize clinker replacement with reasonable performance, together with enhanced sustainability and reduced construction cost.
Performance Enhanced SAPO-34 Catalyst for Methanol to Olefins: Template Synthesis Using a CO2-Based Polyurea
Authors: Yu Yuehong , Qin Jiaxiang , Xiao Min , Wang Shuanjin , Han Dongmei , Meng Yuezhong
Published: December 2018

Introducing mesopores into the channels and cages of conventional micropores CHA (Chabazite) topological structure SAPO-34 molecular sieves can effectively improve mass transport, retard coke deposition rate and enhance the catalytic performance for methanol to olefins (MTO) reaction, especially lifetime and olefins selectivity. In order to overcome the intrinsic diffusion limitation, a novel CO2-based polyurea copolymer with affluent amine group, ether segment and carbonyl group has been firstly applied to the synthesis of SAPO-34 zeolite under hydrothermal conditions. The as-synthesized micro-mesoporosity SAPO-34 molecular sieve catalysts show heterogeneous size distribution mesopores and exhibit slightly decrease of BET surface area due to the formation of defects and voids. Meanwhile, the catalysts exhibit superior catalytic performance in the MTO reaction with more than twice prolonged catalytic lifespan and improvement of selectivity for light olefins compared with conventional microporous SAPO-34. The methodology provides a new way to synthesize and control the structure of SAPO-34 catalysts.
Ammonium-Salt Formation and Catalyst Deactivation in the SCR System for a Marine Diesel Engine
Authors: Zhu Yuanqing , Hou Qichen , Shreka Majed , Yuan Lu , Zhou Song , Feng Yongming , Xia Chong
Published: December 2018

Due to the low temperature and complex composition of the exhaust gas of the marine diesel engine, the working requirements of the selective catalytic reduction (SCR) catalyst cannot be met directly. Moreover, ammonium sulfate, ammonium nitrate, and other ammonium deposits are formed at low temperatures, which block the surface or the pore channels of the SCR catalyst, thereby resulting in its reduction or even its loss of activity. Considering the difficulty of the marine diesel engine bench test and the limitation of the catalyst sample test, a one-dimensional simulation model of the SCR system was built in this paper. In addition, the deactivation reaction process of the ammonium salt in the SCR system and its influencing factors were studied. Based on the gas phase and the surface reaction kinetics, the models of the urea decomposition, the surface denitrification, the nitrate deactivation, and the sulfate deactivation were both constructed and verified in terms of accuracy. Moreover, the formation/decomposition reaction pathway and the catalytic deactivation of ammonium nitrate and ammonium bisulfate, as well as the composition concentration and the exhaust gas temperature range were correspondingly clarified. The results showed that within a certain range, the increase of the NO2/NOx ratio was conducive to the fast SCR reaction and the NH4NO3 formation’s reaction. Increasing the exhaust gas temperature also raised the NO2/NOx ratio, which was beneficial to both the fast SCR reaction and the NH4NO3 decomposition reaction, respectively. Furthermore, the influence of the SO2 concentration on the denitrification efficiency decreased with the increase of the exhaust gas temperature because of increasing SCR reaction rate and reversibility of ammonia sulfate formation, and when the temperature of the exhaust gas was higher than 350 °C, the activity of the catalyst was almost unaffected by ammonia sulfate.
Temporal Changes in Precipitation and Temperature and their Implications on the Streamflow of Rosi River, Central Nepal
Authors: Dahal Ngamindra , Shrestha Uttam Babu , Tuitui Anita , Ojha Hemant Raj
Published: December 2018

Nepal has experienced recent changes in two crucial climatic variables: temperature and precipitation. Therefore, climate-induced water security concerns have now become more pronounced in Nepal as changes in temperature and precipitation have already altered some hydrological processes such as the river runoff in some river systems. However, the linkage between precipitation patterns and streamflow characteristics are poorly understood, especially in small rivers. We analysed the temporal trends of temperature, precipitation, and extreme indices of wet and dry spells in the Rosi watershed in Central Nepal, and observed the temporal patterns of the streamflow of the Rosi river. We also examined the linkages between the average and extreme climate indices and streamflow. We found that the area has warmed up by an average of 0.03 °C/year, and has seen a significant decline in precipitation. The dry spell as represented by the maximum length of the dry spell (CDD) and the magnitude of dryness (AII) has become more pronounced, while the wet spell as represented by the number of heavy rainfall days (R5D) and the precipitation intensity on wet days (SDII) has diminished significantly. Our analysis shows that recent changes in precipitation patterns have affected the streamflow of the Rosi river, as manifested in the observed decline in annual and seasonal streamflows. The decrease in the availability of water in the river is likely to have severe consequences for water security in the area.
Control over the Phase Formation in Metastable Transition Metal Nitride Thin Films by Tuning the Al+ Subplantation Depth
Authors: Greczynski Grzegorz , Mráz Stanislav , Hans Marcus , Lu Jun , Hultman Lars , Schneider Jochen M.
Published: December 2018

The performance of transition metal nitride based coatings deposited by magnetron sputtering, in a broad range of applications including wear-protective coatings on cutting tools and components in automotive engines, is determined by their phase content. The classical example is the precipitation of thermodynamically-favored wurtzite-AlN while alloying TiN with Al to obtain ternary single phase NaCl-structure films with improved high-temperature oxidation resistance. Here, we report on reactive high-power impulse and direct current magnetron co-sputtering (HiPIMS/DCMS) growth of Ti0.31Al0.69N and Zr0.48Al0.52N thin films. The Al concentrations are intentionally chosen to be higher than theoretically predicted solubility limits for the rock salt structure. The goal is to investigate the effect of the incident Al+ energy EAl+, controlled by varying the amplitude of the substrate bias applied synchronously with the Al+-rich portion of the ion flux from the Al-HiPIMS source, on the crystalline phase formation. For EAl+ ≤ 60 eV, films contain predominantly the wurtzite phase. With increasing EAl+, and thus, the Al subplantation depth, the relative fraction of the NaCl structure increases and eventually for EAl+ > 250 eV, Ti0.31Al0.69N and Zr0.48Al0.52N layers contain more than 95% of the rock salt phase. Thus, the separation of the film forming species in time and energy domains determines the phase formation of Ti0.31Al0.69N and Zr0.48Al0.52N layers and enables the growth of the cubic phase outside of the predicted Al concentration range. The new film growth concept can be applied to the entire family of multinary transition metal aluminum nitrides, where one of the metallic film constituents is available in the ionized form while the other arrives as neutral.
Inclusive Ecosystems? Women’s Participation in the Aquatic Ecosystem of Lake Malawi
Authors: Nagoli Joseph , Binauli Lucy , Chijere Asafu
Published: December 2018

Ecosystem services and their role in alleviating poverty are centered on a set of gendered social relations. The understanding of these relations between men and women in aquatic ecosystems can unveil gender-based opportunities and constraints along the value chains of the ecosystem services. A gender discourse perspective on participation of actors of an ecosystem can further facilitate the understanding of the complex and subtle ways in which gender is represented, constructed, and contested. This paper analyses the barriers to the participation of women in the fishing industry. The analysis is based on a study conducted in five fishing villages of Lake Malawi through a structured questionnaire, focus group discussions, key informant interviews, and observations. First, it looks at gender and participation from a theoretical perspective to explain how gender manifests itself in participation and interrogates why women have limited benefits from the fishing industry. Second, it highlights the barriers that seem to preclude women from participating, which include institutional embedded norms, financial, socio-cultural, and reproduction roles. In general, women had little influence on the type of fishing sites, markets, and access to financing of their businesses. A gender transformative agenda is therefore required to proactively facilitate changes of some entrenched institutional norms as well as having greater access to financial services and new technologies in order to enhance women’s full participation and equal benefits from ecosystem services.
Unsteady Seepage Behavior of an Earthfill Dam During Drought-Flood Cycles
Authors: Li Ziyang , Ye Wei , Marence Miroslav , Bricker Jeremy D.
Published: December 2018

Climate change with extreme hydrological conditions, such as drought and flood, bring new challenges to seepage behavior and the stability of earthfill dams. Taking a drought-stricken earthfill dam of China as an example, the influence of drought-flood cycles on dam seepage behavior is analyzed. This paper includes a clay sample laboratory experiment and an unsteady finite element method seepage simulation of the mentioned dam. Results show that severe drought causes cracks on the surface of the clay soil sample. Long-term drought causes deeper cracks and induces a sharp increase of suction pressure, indicating that the cracks would become channels for rain infiltration into the dam during subsequent rainfall, increasing the potential for internal erosion and decreasing dam stability. Measures to prevent infiltration on the dam slope surface are investigated, for the prevention of deep crack formation during long lasting droughts. Unsteady seepage indicators including instantaneous phreatic lines, equipotential lines and pore pressure gradient in the dam, are calculated and analyzed under two assumed conditions with different reservoir water level fluctuations. Results show that when the water level changes rapidly, the phreatic line is curved and constantly changing. As water level rises, equipotential lines shift upstream, and the pore pressure gradient in the dam’s main body is larger than that of steady seepage. Furthermore, the faster the water level rises, the larger the pore pressure gradient is. This may cause internal erosion. Furthermore, the case of a cracked upstream slope is modelled via an equivalent permeability coefficient, which shows that the pore pressure gradient in the zone beneath the cracks increases by 5.9% at the maximum water level; this could exacerbate internal erosion. In addition, results are in agreement with prior literature that rapid drawdown of the reservoir water level is detrimental to the stability of the upstream slope based on embankment slope stability as calculated by the Simplified Bishop Method. It is concluded that fluctuations of reservoir water level should be strictly controlled during drought-flood cycles; both the drawdown rate and the fill rate must be regulated to avoid the internal erosion of earthfill dams.
Precision Crop Load Management of Apple (Malus x domestica Borkh.) without Chemicals
Authors: Bound Sally A
Published: December 2018

Fruit thinning is an important management practice in commercial apple production. The standard industry practice for crop load management in many countries is based on bloom and/or post-bloom chemical thinning (CT) followed up with hand thinning. However, the response to CT is unpredictable and there is an increasing awareness of the environmental impact of many chemicals. Hence there is a need to find alternate environmentally acceptable methods for managing crop load. Artificial bud extinction (ABE), a thinning method that imitates natural bud extinction by manually removing buds before bud break, has been suggested as a potential tool to replace chemical thinning, but there have been no studies comparing ABE and chemical thinning. Trials were established in Tasmania, Australia to determine how ABE technology compares with best practice CT programs in terms of yield, fruit quality, and cost of implementation. Results from these trials demonstrated consistent fruit set of both Gala and Fuji apple under ABE management compared with conventional management. Fruit weight was increased in all ABE treatments from 5% up to 38%. The four studies presented here have demonstrated that ABE is a feasible alternative to chemical thinning, improving reliability of crop load management with increased predictability of fruit size and yield. Trees are significantly thinned before flowering, controlling biennial bearing. In addition, bud position is optimised, fruit is well spaced and light distribution into the canopy is enhanced. In terms of costs, implementation of ABE is comparable to managing crop load with CT programs but has the advantage that crop load management costs reduce in subsequent years after the initial tree set-up. ABE is also suitable for use in organic apple orchards.
More than Fast Food: Development of a Story Map to Compare Adolescent Perceptions and Observations of Their Food Environments and Related Food Behaviors
Authors: Riggsbee Kristin A. , Riggsbee Jonathon , Vilaro Melissa J. , Moret Lauren , Spence Marsha , Anderson Steeves Elizabeth , Zhou Wenjun , Olfert Melissa D. , Franzen-Castle Lisa , Horacek Tanya , Hall Elizabeth , Colby Sarah
Published: December 2018

The purpose of this convergent, multiphase, mixed methods study was to better understand the perceptions of adolescents’ food environments and related food behaviors using grounded visualization and story mapping. Adolescents from one high school (13–16 years) in the southeastern United States were evaluated via data from health behavior surveys (n = 75), school environment maps, focus groups (n = 5 groups), and Photovoice (n = 6) from October 2016 to April 2017. Data from each phase were integrated using grounded visualization and new themes were identified (n = 7). A story map using ArcGIS Online was developed from data integration, depicting the newly identified themes. Participants failed to meet national recommendations for fruit and vegetable intake (2.71 cups). Focus group and Photovoice findings indicated the need for convenience food items in all environments. The story map is an online, interactive dissemination of information, with five maps, embedded quotes from focus groups, narrative passages with data interpretation, pictures to highlight themes, and a comparison of the participants’ food environments. Story mapping and qualitative geographic information systems (GIS) approaches may be useful when depicting adolescent food environments and related food behaviors. Further research is needed when evaluating story maps and how individuals can be trained to create their own maps.
APIM-Mediated REV3L–PCNA Interaction Important for Error Free TLS Over UV-Induced DNA Lesions in Human Cells
Authors: Ræder Synnøve Brandt , Nepal Anala , Bjørås Karine Øian , Seelinger Mareike , Kolve Rønnaug Steen , Nedal Aina , Müller Rebekka , Otterlei Marit
Published: December 2018

Proliferating cell nuclear antigen (PCNA) is essential for the organization of DNA replication and the bypass of DNA lesions via translesion synthesis (TLS). TLS is mediated by specialized DNA polymerases, which all interact, directly or indirectly, with PCNA. How interactions between the TLS polymerases and PCNA affects TLS specificity and/or coordination is not fully understood. Here we show that the catalytic subunit of the essential mammalian TLS polymerase POLζ, REV3L, contains a functional AlkB homolog 2 PCNA interacting motif, APIM. APIM from REV3L fused to YFP, and full-length REV3L-YFP colocalizes with PCNA in replication foci. Colocalization of REV3L-YFP with PCNA is strongly reduced when an APIM-CFP construct is overexpressed. We also found that overexpression of full-length REV3L with mutated APIM leads to significantly altered mutation frequencies and mutation spectra, when compared to overexpression of full-length REV3L wild-type (WT) protein in multiple cell lines. Altogether, these data suggest that APIM is a functional PCNA-interacting motif in REV3L, and that the APIM-mediated PCNA interaction is important for the function and specificity of POLζ in TLS. Finally, a PCNA-targeting cell-penetrating peptide, containing APIM, reduced the mutation frequencies and changed the mutation spectra in several cell lines, suggesting that efficient TLS requires coordination mediated by interactions with PCNA.
NFκB Inhibition Mitigates Serum Amyloid A-Induced Pro-Atherogenic Responses in Endothelial Cells and Leukocyte Adhesion and Adverse Changes to Endothelium Function in Isolated Aorta
Authors: Vallejo Abigail , Chami Belal , Dennis Joanne M. , Simone Martin , Ahmad Gulfam , Abdo Adrian I. , Sharma Arpeeta , Shihata Waled A. , Martin Nathan , Chin-Dusting Jaye P. F. , De Haan Judy B. , Witting Paul K.
Published: December 2018

The acute phase protein serum amyloid A (SAA) is associated with endothelial dysfunction and early-stage atherogenesis. Stimulation of vascular cells with SAA increases gene expression of pro-inflammation cytokines and tissue factor (TF). Activation of the transcription factor, nuclear factor kappa-B (NFκB), may be central to SAA-mediated endothelial cell inflammation, dysfunction and pro-thrombotic responses, while targeting NFκB with a pharmacologic inhibitor, BAY11-7082, may mitigate SAA activity. Human carotid artery endothelial cells (HCtAEC) were pre-incubated (1.5 h) with 10 μM BAY11-7082 or vehicle (control) followed by SAA (10 μg/mL; 4.5 h). Under these conditions gene expression for TF and Tumor Necrosis Factor (TNF) increased in SAA-treated HCtAEC and pre-treatment with BAY11-7082 significantly (TNF) and marginally (TF) reduced mRNA expression. Intracellular TNF and interleukin 6 (IL-6) protein also increased in HCtAEC supplemented with SAA and this expression was inhibited by BAY11-7082. Supplemented BAY11-7082 also significantly decreased SAA-mediated leukocyte adhesion to apolipoprotein E-deficient mouse aorta in ex vivo vascular flow studies. In vascular function studies, isolated aortic rings pre-treated with BAY11-7082 prior to incubation with SAA showed improved endothelium-dependent vasorelaxation and increased vascular cyclic guanosine monophosphate (cGMP) content. Together these data suggest that inhibition of NFκB activation may protect endothelial function by inhibiting the pro-inflammatory and pro-thrombotic activities of SAA.
ERK Activity Dynamics during Zebrafish Embryonic Development
Authors: Wong Kah-Loon , Akiyama Ryutaro , Bessho Yasumasa , Matsui Takaaki
Published: December 2018

During vertebrate development, extracellular signal-regulated kinase (ERK) is activated by growth factors such as fibroblast growth factor (FGF), and it regulates the formation of tissues/organs including eyes, brains, somites, limbs, and inner ears. However, an experimental system to monitor ERK activity dynamics in the entire body of the vertebrate embryo is lacking. We recently studied ERK activity dynamics in the pre-somitic mesoderm of living zebrafish embryos injected with mRNAs encoding a Förster resonance energy transfer (FRET)-based ERK biosensor. In this study, transgenic zebrafish stably and ubiquitously expressing the ERK biosensor were generated to monitor ERK activity dynamics throughout embryonic development. The system allowed the identification of ERK activation domains in embryos from the late blastula to the late segmentation stage, consistent with immunostaining patterns obtained using anti-phosphorylated ERK antibody. A spatiotemporal map of ERK activity in the entire body during zebrafish embryogenesis was generated, and previously unidentified activation dynamics and ERK domains were identified. The proposed system is the first reported method to monitor ERK activity dynamics during vertebrate embryogenesis, providing insight into the role of ERK activity in normal and abnormal development in living vertebrate embryos.
Risk of Dementia in Older Patients with Type 2 Diabetes on Dipeptidyl-Peptidase IV Inhibitors Versus Sulfonylureas: A Real-World Population-Based Cohort Study
Authors: Kim Young-Gun , Jeon Ja Young , Kim Hae Jin , Kim Dae Jung , Lee Kwan-Woo , Moon So Young , Han Seung Jin
Published: December 2018

Background: Type 2 diabetes is related to an increased risk of dementia. Preclinical studies of dipeptidyl peptidase-IV inhibitors (DPP-4i) for dementia have yielded promising results. Therefore, we investigated the risk of dementia in elderly patients with type 2 diabetes on DPP-4is and sulfonylureas (SU). Methods: Using a claims database called the Korean National Health Insurance Service Senior cohort, new users of DPP-4is and SUs were matched by 1:1 propensity score matching using 49 confounding variables (7552 new DPP-4is users and 7552 new SU users were matched by 1:1 propensity score matching; average age 75.4; mean follow-up period: 1361.9 days). Survival analysis was performed to estimate the risk of dementia. Results: The risk of all-cause dementia was lower in the DPP-4i group compared to the SU group (hazard ratio (HR) 0.66; 95% confidence interval (CI) 0.56–0.78; p < 0.001). Particularly, DPP-4i use showed a significantly lower risk of Alzheimer’s disease (HR 0.64; 95% CI 0.52–0.79; p < 0.001) and a lower risk, albeit non-significant, of vascular dementia compared to SU use (HR 0.66; 95% CI 0.38–1.14; p = 0.139). Conclusion: Our findings suggest that DPP-4i use decreases the risk of dementia compared to SU use in elderly patients with type 2 diabetes in a real-world clinical setting.
Simulation Study of Helium Effect on the Microstructure of Nanocrystalline Body-Centered Cubic Iron
Authors: Xu Chunping , Wang Wenjun
Published: December 2018

Helium (He) effect on the microstructure of nanocrystalline body-centered cubic iron (BCC-Fe) was studied through Molecular Dynamics (MD) simulation and simulated X-ray Diffraction (XRD). The crack generation and the change of lattice constant were investigated under a uniaxial tensile strain at room temperature to explore the roles of He concentration and distribution played in the degradation of mechanical properties. The simulation results show that the expansion of the lattice constant decreases and the swelling rate increases while the He in the BCC region diffuses into the grain boundary (GB) region. The mechanical property of nanocrystalline BCC-Fe shows He concentration and distribution dependence, and the existence of He in GB is found to benefit the generation and growth of cracks and to affect the strength of GB during loading. It is observed that the reduction of tensile stress contributed by GB He is more obvious than that contributed by grain interior He.
Structural and Superconducting Properties of Thermal Treatment-Synthesised Bulk YBa2Cu3O7−δ Superconductor: Effect of Addition of SnO2 Nanoparticles
Authors: Mohd Yusuf Nur Nabilah , Awang Kechik Mohd Mustafa , Baqiah Hussein , Soo Kien Chen , Kean Pah Lim , Shaari Abdul Halim , Wan Jusoh Wan Nur Wathiq , Abd Sukor Safia Izzati , Mousa Dihom Mustafa , Talib Zainal Abidin , Abd-Shukor Roslan
Published: December 2018

YBa2Cu3O7−δ (Y-123) bulk superconductors with the addition of (0.0, 0.2, 0.4, 0.6, 0.8, and 1.0 wt.%) SnO2 nanoparticles were synthesised via a thermal treatment method. The influence of SnO2 addition on the superconducting properties by means of critical temperature, Tc, AC susceptibility, phase formation and microstructures, including its elemental composition analysis, were studied. Sharp superconducting transition, ∆Tc, and diamagnetic transition were obtained for all SnO2-added samples. It was observed that sample x = 0.4 with a Y-123 phase percentage of 95.8% gives the highest Tc, smallest ∆Tc, and the sharpest diamagnetic transition in the normalised susceptibility curves. The microstructure also showed an excess of Sn precipitates on the sample’s surface at x = 0.8 and above. As such, the best superconducting properties were observed at x = 0.4 SnO2 addition inside the Y-123 host sample.
Hybrid Composites of Polylactide with Basalt and Carbon Fibers and Their Thermal Treatment
Authors: Kuciel Stanisław , Romańska Paulina
Published: December 2018

In this research, polylactide was hybrid-reinforced and heat-treated in order to obtain durable structural materials with the use of eco-friendly components. Differential scanning calorimetry (DSC) analysis, tensile tests at various temperatures, Vicat tests, impact tests, and microscopic observations were conducted on the annealed and non-heat-treated specimens. The theoretical and true density, as well as water absorption, were also determined. The simultaneous introduction of chopped carbon and basalt fibers in equal mass fractions of 7.5% and 12.5% resulted in satisfactory increases in stiffness and tensile strength. The reinforcing effect was more efficient for the heat-treated composites, especially at elevated temperatures. Heat treatment significantly increased the degree of crystallinity of the matrix, improving heat resistance and reducing water absorption. It also reduced the stress concentrations in the injection-molded specimens.
A Computer-Driven Approach to Discover Natural Product Leads for Methicillin-Resistant Staphylococcus aureus Infection Therapy
Authors: Dias Tiago , Gaudêncio Susana P. , Pereira Florbela
Published: December 2018

The risk of methicillin-resistant Staphylococcus aureus (MRSA) infection is increasing in both the developed and developing countries. New approaches to overcome this problem are in need. A ligand-based strategy to discover new inhibiting agents against MRSA infection was built through exploration of machine learning techniques. This strategy is based in two quantitative structure–activity relationship (QSAR) studies, one using molecular descriptors (approach A) and the other using descriptors (approach B). In the approach A, regression models were developed using a total of 6645 molecules that were extracted from the ChEMBL, PubChem and ZINC databases, and recent literature. The performance of the regression models was successfully evaluated by internal and external validation, the best model achieved R2 of 0.68 and RMSE of 0.59 for the test set. In general natural product (NP) drug discovery is a time-consuming process and several strategies for dereplication have been developed to overcome this inherent limitation. In the approach B, we developed a new NP drug discovery methodology that consists in frontloading samples with 1D NMR descriptors to predict compounds with antibacterial activity prior to bioactivity screening for NPs discovery. The NMR QSAR classification models were built using 1D NMR data (1H and 13C) as descriptors, from crude extracts, fractions and pure compounds obtained from actinobacteria isolated from marine sediments collected off the Madeira Archipelago. The overall predictability accuracies of the best model exceeded 77% for both training and test sets.
Identification of Antioxidant Peptides in Enzymatic Hydrolysates of Carp (Cyprinus Carpio) Skin Gelatin
Authors: Tkaczewska Joanna , Bukowski Michal , Mak Paweł
Published: December 2018

The protein by-products from carp (Cyprinus carpio) are normally discarded as industrial waste during fish processing. The objective of this study was to identify and characterise the peptides with a potential antioxidant activity that are released from carp skin proteins during hydrolysis by the Protamex enzyme mixture. This study shows that a hydrolysate of carp skin gelatin and its reversed-phase chromatography fractions have strong in vitro antioxidant properties. Among these fractions, the alanine-tyrosine (Ala-Tyr) dipeptide was identified as the major compound with high antioxidant potential. The peptide has good stability during in vitro enzymatic digestion assay and can inhibit the angiotensin-converting enzyme (ACE). In conclusion, our study proves that both the unfractionated hydrolysate of carp skin gelatin and the above-mentioned Ala-Tyr dipeptide represents attractive novel compounds for the formulation of antioxidant foods.
Sorption, Structure and Dynamics of CO2 and Ethane in Silicalite at High Pressure: A Combined Monte Carlo and Molecular Dynamics Simulation Study
Authors: Gautam Siddharth , Liu Tingting , Cole David
Published: December 2018

Silicalite is an important nanoporous material that finds applications in several industries, including gas separation and catalysis. While the sorption, structure, and dynamics of several molecules confined in the pores of silicalite have been reported, most of these studies have been restricted to low pressures. Here we report a comparative study of sorption, structure, and dynamics of CO2 and ethane in silicalite at high pressures (up to 100 bar) using a combination of Monte Carlo (MC) and molecular dynamics (MD) simulations. The behavior of the two fluids is studied in terms of the simulated sorption isotherms, the positional and orientational distribution of sorbed molecules in silicalite, and their translational diffusion, vibrational spectra, and rotational motion. Both CO2 and ethane are found to exhibit orientational ordering in silicalite pores; however, at high pressures, while CO2 prefers to reside in the channel intersections, ethane molecules reside mostly in the sinusoidal channels. While CO2 exhibits a higher self-diffusion coefficient than ethane at low pressures, at high pressures, it becomes slower than ethane. Both CO2 and ethane exhibit rotational motion at two time scales. At both time scales, the rotational motion of ethane is faster. The differences observed here in the behavior of CO2 and ethane in silicalite pores can be seen as a consequence of an interplay of the kinetic diameter of the two molecules and the quadrupole moment of CO2.
Electrochemical Performance of ABNO for Oxidation of Secondary Alcohols in Acetonitrile Solution
Authors: Niu Pengfei , Liu Xin , Shen Zhenlu , Li Meichao
Published: December 2018

The ketones was successfully prepared from secondary alcohols using 9-azabicyclo[3.3.1]nonane-N-oxyl (ABNO) as the catalyst and 2,6-lutidine as the base in acetonitrile solution. The electrochemical activity of ABNO for oxidation of 1-phenylethanol was investigated by cyclic voltammetry, in situ Fourier transform infrared spectroscopy (FTIR) and constant current electrolysis experiments. The resulting cyclic voltammetry indicated that ABNO exhibited much higher electrochemical activity when compared with 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) under the similar conditions. A reasonable reaction mechanism of the electrocatalytic oxidation of 1-phenylethanol to acetophenone was proposed. In addition, a series of secondary alcohols could be converted to the corresponding ketones at room temperature in 80–95% isolated yields.
Recent Synthesis Developments of Organoboron Compounds via Metal-Free Catalytic Borylation of Alkynes and Alkenes
Authors: Wen Yanmei , Deng Chunmei , Xie Jianying , Kang Xinhuang
Published: December 2018

Diboron reagents have been traditionally regarded as “Lewis acids”, which can react with simple Lewis base to create a significant nucleophilic character in one of boryl moieties. In particular, bis(pinacolato)diboron (B2pin2) reacts with simple Lewis bases, such as N-heterocyclic carbenes (NHCs), phosphines and alkoxides. This review focuses on the application of trivalent nucleophilic boryl synthon in the selective preparation of organoboron compounds, mainly through metal-free catalytic diboration and the β-boration reactions of alkynes and alkenes.
Numerical Encodings of Amino Acids in Multivariate Gaussian Modeling of Protein Multiple Sequence Alignments
Authors: Koehl Patrice , Orland Henri , Delarue Marc
Published: December 2018

Residues in proteins that are in close spatial proximity are more prone to covariate as their interactions are likely to be preserved due to structural and evolutionary constraints. If we can detect and quantify such covariation, physical contacts may then be predicted in the structure of a protein solely from the sequences that decorate it. To carry out such predictions, and following the work of others, we have implemented a multivariate Gaussian model to analyze correlation in multiple sequence alignments. We have explored and tested several numerical encodings of amino acids within this model. We have shown that 1D encodings based on amino acid biochemical and biophysical properties, as well as higher dimensional encodings computed from the principal components of experimentally derived mutation/substitution matrices, do not perform as well as a simple twenty dimensional encoding with each amino acid represented with a vector of one along its own dimension and zero elsewhere. The optimum obtained from representations based on substitution matrices is reached by using 10 to 12 principal components; the corresponding performance is less than the performance obtained with the 20-dimensional binary encoding. We highlight also the importance of the prior when constructing the multivariate Gaussian model of a multiple sequence alignment.
Evaluation of New Technology-Based Tools for Dietary Intake Assessment—An ILSI Europe Dietary Intake and Exposure Task Force Evaluation
Authors: Eldridge Alison L. , Piernas Carmen , Illner Anne-Kathrin , Gibney Michael J. , Gurinović Mirjana A. , De Vries Jeanne H.M. , Cade Janet E.
Published: December 2018

Background: New technology-based dietary assessment tools, including Web-based programs, mobile applications, and wearable devices, may improve accuracy and reduce costs of dietary data collection and processing. The International Life Sciences Institute (ILSI) Europe Dietary Intake and Exposure Task Force launched this project to evaluate new tools in order to recommend general quality standards for future applications. Methods: A comprehensive literature search identified technology-based dietary assessment tools, including those published in English from 01/2011 to 09/2017, and providing details on tool features, functions and uses. Each of the 43 tools identified (33 for research and 10 designed for consumer use) was rated on 25 attributes. Results: Most of the tools identified (79%) relied on self-reported dietary intakes. Most (91%) used text entry and 33% used digital images to help identify foods. Only 65% had integrated databases for estimating energy or nutrients. Fewer than 50% contained any features of customization and about half generated automatic reports. Most tools reported on usability or reported validity compared with another assessment method (77%). A set of Best Practice Guidelines was developed for reporting dietary assessment tools using new technology. Conclusions: Dietary assessment methods that utilize technology offer many advantages for research and are often preferable to consumers over more traditional methods. In order to meet general quality standards, new technology tools require detailed publications describing tool development, food identification and quantification, customization, outputs, food composition tables used, and usability/validity testing.
Morphological Transformation of Peptide Nanoassemblies through Conformational Transition of Core-forming Peptides
Authors: Waku Tomonori , Hirata Naoyuki , Nozaki Masamichi , Nogami Kanta , Kunugi Shigeru , Tanaka Naoki
Published: December 2018

Morphological control of nanostructures that are composed of amphiphilic di- or tri-block molecules by external stimuli broadens their applications for molecular containers, nanoreactors, and controlled release materials. In this study, triblock amphiphiles comprising oligo(ethylene glycol), oligo(l-lysine), and tetra(l-phenylalanine) were prepared for the construction of nanostructures that can transform accompanying α-to-β transition of core-forming peptides. Circular dichroic (CD) measurements showed that the triblock amphiphiles adopted different secondary structures depending on the solvent environment: they adopt β-sheet structures in aqueous solution, while α-helix structures in 25% 2,2,2-trifluoroethanol (TFE) solution under basic pH conditions. Transmission electron microscopic (TEM) observation revealed that the triblock amphiphiles formed vesicle structures in 25% TFE aq. Solvent exchange from 25% TFE to water induced morphological transformation from vesicles to arc-shaped nanostructures accompanying α-β conformational transition. The transformable nanostructures may be useful as novel smart nanomaterials for molecular containers and micro reactors.
On the Boundary Conditions in a Non-Linear Dissipative Observer for Tubular Reactors
Authors: Gutierrez-Carmona Irandi , Moreno Jaime A. , Abundis-Fong H.F.
Published: December 2018

The modal injection mechanism ensures the exponential convergence of an observer in a continuous tubular reactor in dependence with the system parameters, the sensor location, and the observer gains. In this paper, it is shown that by simple considerations in the boundary conditions, the observer convergence is improved regardless of the presence of perturbations, the sensor locations acquire a meaningful physical meaning, and by simple numerical manipulations, the perturbations in the inflow can be numerically estimated.
The Inversion of Mysticism—Gelassenheit and the Secret of the Open in Heidegger
Authors: Ruin Hans
Published: December 2018

The article explores the topic of Gelassenheit (releasement) in Heidegger, through the lens of the ambiguous role of Christian mysticism in general and Eckhart in particular in and for his thinking. In an analysis of how mysticism appears in his early lectures on religion, it explains why he is critical of this concept and of how it is commonly understood. It also gives reasons for why we too should be cautious in using it to describe his position in his later writings where he explicitly reconnects to themes and concepts from Eckhart. The text provides a critical rehearsal of Eckhart’s understanding of both “Abgeschiedenheit” (detachment) and “Gelassenheit” and how Heidegger relates to it both in his early lectures and in his later essays. Ultimately it outlines a phenomenological understanding of what is commonly referred to as a “mystical” comportment more along the lines of a heightened openness and awareness, in Heidegger’s words as a “releasement toward things and an openness to the secret”. Thus, instead of seeing Heidegger’s later writings as a sort of crypto-mysticism, the text seeks to show how his critical appropriation of Eckhart explicitly points beyond a standard dichotomy between the rational and the mystical, in an effort to develop a comportment of thinking than can respond to the demand of modern technological predicament.
Shamanism, Eroticism, and Death: The Ritual Structures of the Nine Songs in Comparative Context
Authors: Michael Thomas
Published: December 2018

Eroticism is an independent feature of human life that influences many areas of experience, including death and religion. While eroticism has received a good deal of scholarly attention in religious studies, the present study takes the Nine Songs as the starting point for a discussion of eroticism as a frequent element in the world of shamanism. These songs provide the earliest linguistic corpus in East Asia that allows us a glimpse into the world of the shaman, and they constitute one of the earliest sources of this type preserved anywhere in the world by giving depictions of eroticized gender relations between shamans and spirits. This study comparatively situates the ritual structures expressed in the Nine Songs to uncover deeper affinities between shamanism, eroticism, violence, and death.
The First Wetland Inventory Map of Newfoundland at a Spatial Resolution of 10 m Using Sentinel-1 and Sentinel-2 Data on the Google Earth Engine Cloud Computing Platform
Authors: Mahdianpari Masoud , Salehi Bahram , Mohammadimanesh Fariba , Homayouni Saeid , Gill Eric
Published: December 2018

Wetlands are one of the most important ecosystems that provide a desirable habitat for a great variety of flora and fauna. Wetland mapping and modeling using Earth Observation (EO) data are essential for natural resource management at both regional and national levels. However, accurate wetland mapping is challenging, especially on a large scale, given their heterogeneous and fragmented landscape, as well as the spectral similarity of differing wetland classes. Currently, precise, consistent, and comprehensive wetland inventories on a national- or provincial-scale are lacking globally, with most studies focused on the generation of local-scale maps from limited remote sensing data. Leveraging the Google Earth Engine (GEE) computational power and the availability of high spatial resolution remote sensing data collected by Copernicus Sentinels, this study introduces the first detailed, provincial-scale wetland inventory map of one of the richest Canadian provinces in terms of wetland extent. In particular, multi-year summer Synthetic Aperture Radar (SAR) Sentinel-1 and optical Sentinel-2 data composites were used to identify the spatial distribution of five wetland and three non-wetland classes on the Island of Newfoundland, covering an approximate area of 106,000 km2. The classification results were evaluated using both pixel-based and object-based random forest (RF) classifications implemented on the GEE platform. The results revealed the superiority of the object-based approach relative to the pixel-based classification for wetland mapping. Although the classification using multi-year optical data was more accurate compared to that of SAR, the inclusion of both types of data significantly improved the classification accuracies of wetland classes. In particular, an overall accuracy of 88.37% and a Kappa coefficient of 0.85 were achieved with the multi-year summer SAR/optical composite using an object-based RF classification, wherein all wetland and non-wetland classes were correctly identified with accuracies beyond 70% and 90%, respectively. The results suggest a paradigm-shift from standard static products and approaches toward generating more dynamic, on-demand, large-scale wetland coverage maps through advanced cloud computing resources that simplify access to and processing of the “Geo Big Data.” In addition, the resulting ever-demanding inventory map of Newfoundland is of great interest to and can be used by many stakeholders, including federal and provincial governments, municipalities, NGOs, and environmental consultants to name a few.
Wireless Energy Transfer Powered Wireless Sensor Node for Green IoT: Design, Implementation and Evaluation
Authors: Janhunen Janne , Mikhaylov Konstantin , Petäjäjärvi Juha , Sonkki Marko
Published: December 2018

The number of IoT (Internet of Things) devices is predicted to increase dramatically in the years to come and their manufacturing and maintenance, including both commercial and ecological aspects associated with these, are gaining substantial attention. One of the effective ways of addressing both these issues at a time is the energy-neutral systems, which operate with the energy harvested from their environment. To address the major problem of this system, namely the low reliability, in the current paper, we develop and study the utility of a system powered solely with the wireless power transfer (WPT) over a radio frequency (RF) channel. In the article, we propose a methodology for developing and implementing a real-life IoT application based on RF WPT. We employ the proposed methodology to develop a WPT-powered solution to sense the temperature and the angular velocity in the rotating industrial environment. First, we discuss the key trade-offs arising when selecting and developing the new components for a WPT system. Then, we present and detail our solutions and describe the results of their evaluations. Finally, we instrument and evaluate the complete system, proving that it is capable of meeting all the design goals and requirements. The results reported in this paper can be of interest to the practitioners, for whom they provide a step-by-step methodology of WPT application development with a practical example. In addition, these results may be valuable for analysts, as they demonstrate many practical interrelations and effects specific to the real-life WPT applications.