bluuebunny/crossref_metadata_2025 huggingface dataset:
Laser Ablated Periodic Nanostructures on Titanium and Steel Implants Influence Adhesion and Osteogenic Differentiation of Mesenchymal Stem Cells
Authors: Böker Kai Oliver , Kleinwort Frederick , Klein-Wiele Jan-Hendrick , Simon Peter , Jäckle Katharina , Taheri Shahed , Lehmann Wolfgang , Schilling Arndt F.
Published: August 2020

Metal implants used in trauma surgeries are sometimes difficult to remove after the completion of the healing process due to the strong integration with the bone tissue. Periodic surface micro- and nanostructures can directly influence cell adhesion and differentiation on metallic implant materials. However, the fabrication of such structures with classical lithographic methods is too slow and cost-intensive to be of practical relevance. Therefore, we used laser beam interference ablation structuring to systematically generate periodic nanostructures on titanium and steel plates. The newly developed laser process uses a special grating interferometer in combination with an industrial laser scanner and ultrashort pulse laser source, allowing for fast, precise, and cost-effective modification of metal surfaces in a single step process. A total of 30 different periodic topologies reaching from linear over crossed to complex crossed nanostructures with varying depths were generated on steel and titanium plates and tested in bone cell culture. Reduced cell adhesion was found for four different structure types, while cell morphology was influenced by two different structures. Furthermore, we observed impaired osteogenic differentiation for three structures, indicating reduced bone formation around the implant. This efficient way of surface structuring in combination with new insights about its influence on bone cells could lead to newly designed implant surfaces for trauma surgeries with reduced adhesion, resulting in faster removal times, reduced operation times, and reduced complication rates.
Limitations in the Grain Boundary Processing of the Recycled HDDR Nd-Fe-B System
Authors: Ikram Awais , Awais Muhammad , Sheridan Richard , Walton Allan , Kobe Spomenka , Pušavec Franci , Žužek Rožman Kristina
Published: August 2020

Fully dense spark plasma sintered recycled and fresh HDDR Nd-Fe-B nanocrystalline bulk magnets were processed by surface grain boundary diffusion (GBD) treatment to further augment the coercivity and investigate the underlying diffusion mechanism. The fully dense SPS processed HDDR based magnets were placed in a crucible with varying the eutectic alloys Pr68Cu32 and Dy70Cu30 at 2–20 wt. % as direct diffusion source above the ternary transition temperature for GBD processing followed by secondary annealing. The changes in mass gain was analyzed and weighted against the magnetic properties. For the recycled magnet, the coercivity (HCi) values obtained after optimal GBDP yielded ~60% higher than the starting recycled HDDR powder and 17.5% higher than the SPS-ed processed magnets. The fresh MF-15P HDDR Nd-Fe-B based magnets gained 25–36% higher coercivities with Pr-Cu GBDP. The FEG-SEM investigation provided insight on the diffusion depth and EDXS analysis indicated the changes in matrix and intergranular phase composition within the diffusion zone. The mechanism of surface to grain boundary diffusion and the limitations to thorough grain boundary diffusion in the HDDR Nd-Fe-B based bulk magnets were detailed in this study.
Stochastic Properties of Confidence Ellipsoids after Least Squares Adjustment, Derived from GUM Analysis and Monte Carlo Simulations
Authors: Niemeier Wolfgang , Tengen Dieter
Published: August 2020

In this paper stochastic properties are discussed for the final results of the application of an innovative approach for uncertainty assessment for network computations, which can be characterized as two-step approach: As the first step, raw measuring data and all possible influencing factors were analyzed, applying uncertainty modeling in accordance with GUM (Guide to the Expression of Uncertainty in Measurement). As the second step, Monte Carlo (MC) simulations were set up for the complete processing chain, i.e., for simulating all input data and performing adjustment computations. The input datasets were generated by pseudo random numbers and pre-set probability distribution functions were considered for all these variables. The main extensions here are related to an analysis of the stochastic properties of the final results, which are point clouds for station coordinates. According to Cramer’s central limit theorem and Hagen’s elementary error theory, there are some justifications for why these coordinate variations follow a normal distribution. The applied statistical tests on the normal distribution confirmed this assumption. This result allows us to derive confidence ellipsoids out of these point clouds and to continue with our quality assessment and more detailed analysis of the results, similar to the procedures well-known in classical network theory. This approach and the check on normal distribution is applied to the local tie network of Metsähovi, Finland, where terrestrial geodetic observations are combined with Global Navigation Satellite System (GNSS) data.
A Piecewise Linear FGM Approach for Efficient and Accurate FAHP Analysis: Smart Backpack Design as an Example
Authors: Wu Hsin-Chieh , Chen Toly , Huang Chin-Hau
Published: August 2020

Most existing fuzzy AHP (FAHP) methods use triangular fuzzy numbers to approximate the fuzzy priorities of criteria, which is inaccurate. To obtain accurate fuzzy priorities, time-consuming alpha-cut operations are usually required. In order to improve the accuracy and efficiency of estimating the fuzzy priorities of criteria, the piecewise linear fuzzy geometric mean (PLFGM) approach is proposed in this study. The PLFGM method estimates the α cuts of fuzzy priorities and then connects these α cuts with straight lines. As a result, the estimated fuzzy priorities will have piecewise linear membership functions that resemble the real shapes. The PLFGM approach has been applied to the identification of critical features for a smart backpack design. According to the experimental results, the PLFGM approach improved the accuracy and efficiency of estimating the fuzzy priorities of these critical features by 33% and 80%, respectively.
New Stability Criteria for Discrete Linear Systems Based on Orthogonal Polynomials
Authors: Garza Luis E. , Martínez Noé , Romero Gerardo
Published: August 2020

A new criterion for Schur stability is derived by using basic results of the theory of orthogonal polynomials. In particular, we use the relation between orthogonal polynomials on the real line and on the unit circle known as the Szegő transformation. Some examples are presented.
Species Distribution Models and Niche Partitioning among Unisexual Darevskia dahli and Its Parental Bisexual (D. portschinskii, D. mixta) Rock Lizards in the Caucasus
Authors: Petrosyan Varos , Osipov Fedor , Bobrov Vladimir , Dergunova Natalia , Omelchenko Andrey , Varshavskiy Alexander , Danielyan Felix , Arakelyan Marine
Published: August 2020

Among vertebrates, true parthenogenesis is known only in reptiles. Parthenogenetic lizards of the genus Darevskia emerged as a result of the hybridization of bisexual parental species. However, uncertainty remains about the mechanisms of the co-existence of these forms. The geographical parthenogenesis hypothesis suggests that unisexual forms can co-exist with their parental species in the “marginal” habitats. Our goal is to investigate the influence of environmental factors on the formation of ecological niches and the distribution of lizards. For this reason, we created models of species distribution and ecological niches to predict the potential geographical distribution of the parthenogenetic and its parental species. We also estimated the realized niches breadth, their overlap, similarities, and shifts in the entire space of predictor variables. We found that the centroids of the niches of the three studied lizards were located in the mountain forests. The “maternal” species D. mixta prefers forest habitats located at high elevations, “paternal” species D. portschinskii commonly occurs in arid and shrub habitats of the lower belt of mountain forests, and D. dahli occupies substantially an intermediate or “marginal” position along environmental gradients relative to that of its parental species. Our results evidence that geographical parthenogenesis partially explains the co-existence of the lizards.
Performance of Optimization Algorithms in the Model Fitting of the Multi-Scale Numerical Simulation of Ductile Iron Solidification
Authors: Anglada Eva , Meléndez Antton , Obregón Alejandro , Villanueva Ester , Garmendia Iñaki
Published: August 2020

The use of optimization algorithms to adjust the numerical models with experimental values has been applied in other fields, but the efforts done in metal casting sector are much more limited. The advances in this area may contribute to get metal casting adjusted models in less time improving the confidence in their predictions and contributing to reduce tests at laboratory scale. This work compares the performance of four algorithms (compass search, NEWUOA, genetic algorithm (GA) and particle swarm optimization (PSO)) in the adjustment of the metal casting simulation models. The case study used in the comparison is the multiscale simulation of the hypereutectic ductile iron (SGI) casting solidification. The model fitting criteria is the value of the tensile strength. Four different situations have been studied: model fitting based in 2, 3, 6 and 10 variables. Compass search and PSO have succeeded in reaching the error target in the four cases studied, while NEWUOA and GA have failed in some cases. In the case of the deterministic algorithms, compass search and NEWUOA, the use of a multiple random initial guess has been clearly beneficious.
Machine Learning Enabled Prediction of Stacking Fault Energies in Concentrated Alloys
Authors: Arora Gaurav , Aidhy Dilpuneet S.
Published: August 2020

Recent works have revealed a unique combination of high strength and high ductility in certain compositions of high-entropy alloys (HEAs), which is attributed to the low stacking fault energy (SFE). While atomistic calculations have been successful in predicting the SFE of pure metals, large variations up to 200 mJ/m2 have been observed in HEAs. One of the leading causes of such variations is the limited number of atoms that can be modeled in atomistic calculations; as a result, due to random distribution of elements in HEAs, various nearest neighbor environments may not be adequately captured in small supercells resulting in different SFE values. Such variation further increases with the increase in the number of elements in a given composition. In this work, we use machine learning to overcome the limitation of smaller system sizes and provide a methodology to significantly reduce the variation and uncertainty in predicting SFEs. We show that the SFE can be accurately predicted across the composition ranges in binary alloys. This capability then enables us to predict the SFE of multi-elemental alloys by training the model using only binary alloys. Consequently, SFEs of complex alloys can be predicted using a binary alloys database, and the need to perform calculations for every new composition can be circumvented.
Synthesis and Characterization of Core–Shell Magnetic Nanoparticles NiFe2O4@Au
Authors: Saykova Diana , Saikova Svetlana , Mikhlin Yuri , Panteleeva Marina , Ivantsov Ruslan , Belova Elena
Published: August 2020

In this study, NiFe2O4@Au core–shell nanoparticles were prepared by the direct reduction of gold on the magnetic surface using amino acid methionine as a reducer and a stabilizing agent simultaneously. The obtained nanoparticles after three steps of gold deposition had an average size of about 120 nm. The analysis of particles was performed by X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, and UV-Vis spectroscopy techniques. The results indicate successful synthesis of core–shell particles with the magnetic core, which consists of a few agglomerated nickel ferrite crystals with an average size 25.2 ± 2.0 nm, and the thick gold shell consists of fused Au0 nanoparticles (NPs). Magnetic properties of the obtained nanoparticles were examined with magnetic circular dichroism. It was shown that the magnetic behavior of NiFe2O4@Au NPs is typical for superparamagnetic NPs and corresponds to that for NiFe2O4 NPs without a gold shell. The results indicate the successful synthesis of core–shell particles with the magnetic nickel ferrite core and thick gold shell, and open the potential for the application of the investigated hybrid nanoparticles in hyperthermia, targeted drug delivery, magnetic resonance imaging, or cell separation. The developed synthesis strategy can be extended to other metal ferrites and iron oxides.
Atmospheric Corrosion Sensor Based on Strain Measurement with Active–Dummy Fiber Bragg Grating Sensors
Authors: Purwasih Nining , Shinozaki Hiroki , Okazaki Shinji , Kihira Hiroshi , Kuriyama Yukihisa , Kasai Naoya
Published: August 2020

Using the relationship between strain and thickness from the materials theory, this paper presents further development of the atmospheric corrosion sensor based on strain measurement (ACSSM). Fiber Bragg grating (FBG) sensors were used to measure strain in this study. The active–dummy method was employed to compensate the effects of environmental temperature drift, with the configuration and position of the active–dummy FBG sensors determined based on simulations conducted using the finite element method (FEM). Hence, the reduction in thickness of low-carbon steel test pieces could be isolated, ensuring accurate characterization of this parameter. Results of practical galvanostatic electrolysis experiments conducted with the FBG sensors in the proposed configuration demonstrated accurate measurement of the reduction in the thickness of a test piece, suggesting that an ACSSM with active–dummy FBG sensors would be appropriate for monitoring of atmospheric corrosion in steel structures.
Differential Metabolomics Profiles Identified by CE-TOFMS between High and Low Intramuscular Fat Amount in Fattening Pigs
Authors: Taniguchi Masaaki , Arakawa Aisaku , Nishio Motohide , Okamura Toshihiro , Ohnishi Chika , Kadowaki Kouen , Kohira Kimiko , Homma Fumika , Matsumoto Kazunori , Ishii Kazuo
Published: August 2020

The amount of intramuscular fat (IMF) present in the loin eye area is one of the most important characteristics of high-quality pork. IMF measurements are currently impractical without a labor-intensive process. Metabolomic profiling could be used as an IMF indicator to avoid this process; however, no studies have investigated their use during the fattening period of pigs. This study examined the metabolite profiles in the plasma of two groups of pigs derived from the same Duroc genetic line and fed the same diet. Five plasma samples were collected from each individual the day before slaughter. Capillary electrophoresis-time of flight mass spectrometry (CE-TOFMS) was used to analyze the purified plasma from each sample. Principle component analysis (PCA) and partial least squares (PLS) were used to find the semi-quantitative values of the compounds. The results indicate that branched-chain amino acids are significantly associated with high IMF content, while amino acids are associated with low IMF content. These differences were validated using the quantification analyses by high-performance liquid chromatograph, which supported our results. These results suggest that the concentration of branched-chain amino acids in plasma could be an indicative biomarker for the IMF content in the loin eye area.
Study of Ultrasonic Near-Field Region in Ultrasonic Liquid-Level Monitoring System
Authors: Gao Wanjia , Liu Wenyi , Hu Yanjun , Wang Jun
Published: August 2020

In the method of monitoring the liquid level based on ultrasonic impedance, the near-field effect can seriously affect the validity of the results. In this paper, we explore the factors affecting the length of the ultrasonic near field. Based on that, we propose the optimal length and the minimum length of the buffer block to avoid the near field. The evaluations show that when the parameters of the ultrasonic probe are 15 mm in diameter, 1 MHz in frequency, and ±15 V in emitted ultrasonic wave amplitude, the best results are obtained when the length of the buffer block is 22 mm. When the probe diameter is 10 mm, the buffer block length should be ≥5 mm to ensure the validity of the measured results. The evaluation precision is 1 mm. This research can effectively avoid the blind area of emitted waves when using ultrasonic to measure the liquid level. It provides an effective basis for the selection and design of ultrasonic probes.
Evaluation of Bluetongue Virus (BTV) Antibodies for the Immunohistochemical Detection of BTV and Other Orbiviruses
Authors: Lean Fabian Z. X. , Payne Jean , Harper Jennifer , Devlin Joanne , Williams David T. , Bingham John
Published: August 2020

The detection of bluetongue virus (BTV) antigens in formalin-fixed tissues has been challenging; therefore, only a limited number of studies on suitable immunohistochemical approaches have been reported. This study details the successful application of antibodies for the immunohistochemical detection of BTV in BSR variant baby hamster kidney cells (BHK-BSR) and infected sheep lungs that were formalin-fixed and paraffin-embedded (FFPE). BTV reactive antibodies raised against non-structural (NS) proteins 1, 2, and 3/3a and viral structural protein 7 (VP7) were first evaluated on FFPE BTV-infected cell pellets for their ability to detect BTV serotype 1 (BTV-1). Antibodies that were successful in immunolabelling BTV-1 infected cell pellets were further tested, using similar methods, to determine their broader immunoreactivity against a diverse range of BTV and other orbiviruses. Antibodies specific for NS1, NS2, and NS3/3a were able to detect all BTV isolates tested, and the VP7 antibody cross-reacted with all BTV isolates, except BTV-15. The NS1 antibodies were BTV serogroup-specific, while the NS2, NS3/3a, and VP7 antibodies demonstrated immunologic cross-reactivity to related orbiviruses. These antibodies also detected viral antigens in BTV-3 infected sheep lung. This study demonstrates the utility of FFPE-infected cell pellets for the development and validation of BTV immunohistochemistry.
Aboveground and Belowground Colonization of Vegetation on a 17-Year-Old Cover with Capillary Barrier Effect Built on a Boreal Mine Tailings Storage Facility
Authors: Proteau Alex , Guittonny Marie , Bussière Bruno , Maqsoud Abdelkabir
Published: August 2020

Acid mine drainage is an important environmental risk linked to the surface storage of reactive mine tailings. To manage this problem, a cover with a capillary barrier effect (CCBE) can be used. This oxygen barrier cover relies on maintaining a fine-grained material layer (moisture-retaining layer, MRL) with a high degree of saturation. CCBEs can be colonized by surrounding plants. Plant roots pump water and could impact CCBE’s performance. This performance is predicted with unsaturated water flow numerical models in which vegetation parameters can be included. Vegetation parameters may be specific in a CCBE environment. Therefore, analyzing and quantifying the vegetation that colonizes this type of cover is necessary. Plant colonization was investigated through cover and density surveys on 12 transects on a 17-year-old CCBE in the mixed forest of Quebec, Canada. Then, aboveground vegetation and root colonization intensity at three depths in the MRL were characterized on 25 plots of five dominant vegetation types (Salix, Populus, Alnus, Picea sp., and herbaceous species). The mean root length density under plots dominated by Salix sp. was higher than in the other plots. Root colonization of the MRL was concentrated in the first 10 cm and occurred under all woody and herbaceous species as well. This work quantitatively describes, for the first time, the vegetation colonizing a CCBE both at the above- and belowground levels. These data will be useful to better predict the long-term performance of this engineered reclamation cover.
Effectiveness of Fly Ash and Red Mud as Strategies for Sustainable Acid Mine Drainage Management
Authors: Keller Viktoria , Stopić Srećko , Xakalashe Buhle , Ma Yiqian , Ndlovu Sehliselo , Mwewa Brian , Simate Geoffrey S. , Friedrich Bernd
Published: August 2020

Acid mine drainage (AMD), red mud (RM) and coal fly ash (CFA) are potential high environmental pollution problems due to their acidity, toxic metals and sulphate contents. Treatment of acidic mine water requires the generation of enough alkalinity to neutralize the excess acidity. Therefore, red mud types from Germany and Greece were chosen for the neutralization of AMD from South Africa, where this problem is notorious. Because of the high alkalinity, German red mud is the most promising precipitation agent achieving the highest pH-values. CFA is less efficient for a neutralization and precipitation process. An increase in temperature increases the adsorption kinetics. The maximum pH-value of 6.0 can be reached by the addition of 100 g German red mud at 20 °C to AMD-water with an initial pH value of 1.9. German red mud removes 99% of the aluminium as aluminium hydroxide at pH 5.0. The rare earth elements (yttrium and cerium) are adsorbed by Greek red mud with an efficiency of 50% and 80% at 60 °C in 5 min, respectively.
Optimization with Response Surface Methodology of Microwave-Assisted Conversion of Xylose to Furfural
Authors: Padilla-Rascón Carmen , Romero-García Juan Miguel , Ruiz Encarnación , Castro Eulogio
Published: August 2020

The production of furfural from renewable sources, such as lignocellulosic biomass, has gained great interest within the concept of biorefineries. In lignocellulosic materials, xylose is the most abundant pentose, which forms the hemicellulosic part. One of the key steps in the production of furfural from biomass is the dehydration reaction of the pentoses. The objective of this work was to assess the conditions under which the concentration of furfural is maximized from a synthetic, monophasic, and homogeneous xylose medium. The experiments were carried out in a microwave reactor. FeCl3 in different proportions and sulfuric acid were used as catalysts. A two-level, three-factor experimental design was developed for this purpose. The results were further analyzed through a second experimental design and optimization was performed by response surface methodology. The best operational conditions for the highest furfural yield (57%) turned out to be 210 °C, 0.5 min, and 0.05 M FeCl3.
Synthesis and Evaluation of Antimicrobial and Cytotoxic Activity of Oxathiine-Fused Quinone-Thioglucoside Conjugates of Substituted 1,4-Naphthoquinones
Authors: Sabutski Yuri E. , Menchinskaya Ekaterina S. , Shevchenko Ludmila S. , Chingizova Ekaterina A. , Chingizov Artur R. , Popov Roman S. , Denisenko Vladimir A. , Mikhailov Valery V. , Aminin Dmitry L. , Polonik Sergey G.
Published: August 2020

A series of new tetracyclic oxathiine-fused quinone-thioglycoside conjugates based on biologically active 1,4-naphthoquinones and 1-mercapto derivatives of per-O-acetyl d-glucose, d-galactose, d-xylose, and l-arabinose have been synthesized, characterized, and evaluated for their cytotoxic and antimicrobial activities. Six tetracyclic conjugates bearing a hydroxyl group in naphthoquinone core showed high cytotoxic activity with EC50 values in the range of 0.3 to 0.9 μM for various types of cancer and normal cells and no hemolytic activity up to 25 μM. The antimicrobial activity of conjugates was screened against Gram-positive bacteria (Staphylococcus aureus, Bacillus cereus), Gram-negative bacteria (Pseudomonas aeruginosa and Escherichia coli), and fungus Candida albicans by the agar diffusion method. The most effective juglone conjugates with d-xylose or l-arabinose moiety and hydroxyl group at C-7 position of naphthoquinone core at concentration 10 µg/well showed antimicrobial activity comparable with antibiotics vancomicin and gentamicin against Gram-positive bacteria strains. In liquid media, juglone-arabinosidic tetracycles showed highest activity with MIC 6.25 µM. Thus, a positive effect of heterocyclization with mercaptosugars on cytotoxic and antimicrobial activity for group of 1,4-naphthoquinones was shown.
Synthesis of 2,4,6-Trinitrotoluene (TNT) Using Flow Chemistry
Authors: Kyprianou Dimitris , Berglund Michael , Emma Giovanni , Rarata Grzegorz , Anderson David , Diaconu Gabriela , Exarchou Vassiliki
Published: August 2020

This paper describes the nitration of 2,4-dinitrotoluene (DNT) and its conversion to 2,4,6-trinitrotoluene (TNT) at a gram scale with the use of a fully automated flow chemistry system. The conversion of DNT to TNT traditionally requires the use of highly hazardous reagents like fuming sulfuric acid (oleum), fuming nitric acid (90–100%), and elevated temperatures. Flow chemistry offers advantages compared to conventional syntheses including a high degree of safety and simpler multistep automation. The configuration and development of this automated process based on a commercially available flow chemistry system is described. A high conversion rate (>99%) was achieved. Unlike established synthetic methods, ordinary nitrating mixture (65% HNO3/98% H2SO4) and shorter reaction times (10–30 min) were applied. The viability of flow nitration as a means of safe and continuous synthesis of TNT was investigated. The method was optimized using an experimental design approach, and the resulting process is safer, faster, and more efficient than previously reported TNT synthesis procedures. We compared the flow chemistry and batch approaches, including a provisional cost calculation for laboratory-scale production (a thorough economic analysis is, however, beyond the scope of this article). The method is considered fit for purpose for the safe production of high-purity explosives standards at a gram scale, which are used to verify that the performance of explosive trace detection equipment complies with EU regulatory requirements.
Unravelling the Miscibility of Poly(2-oxazoline)s: A Novel Polymer Class for the Formulation of Amorphous Solid Dispersions
Authors: Everaerts Melissa , Tigrine Ali , de la Rosa Victor R. , Hoogenboom Richard , Adriaensens Peter , Clasen Christian , Van den Mooter Guy
Published: August 2020

Water-soluble polymers are still the most popular carrier for the preparation of amorphous solid dispersions (ASDs). The advantage of this type of carrier is the fast drug release upon dissolution of the water-soluble polymer and thus the initial high degree of supersaturation of the poorly soluble drug. Nevertheless, the risk for precipitation due to fast drug release is a phenomenon that is frequently observed. In this work, we present an alternative carrier system for ASDs where a water-soluble and water-insoluble carrier are combined to delay the drug release and thus prevent this onset of precipitation. Poly(2-alkyl-2-oxazoline)s were selected as a polymer platform since the solution properties of this polymer class depend on the length of the alkyl sidechain. Poly(2-ethyl-2-oxazoline) (PEtOx) behaves as a water-soluble polymer at body temperature, while poly(2-n-propyl-2-oxazoline) (PPrOx) and poly(2-sec-butyl-2-oxazoline) (PsecBuOx) are insoluble at body temperature. Since little was known about the polymer’s miscibility behaviour and especially on how the presence of a poorly-water soluble drug impacted their miscibility, a preformulation study was performed. Formulations were investigated with X-ray powder diffraction, differential scanning calorimetry (DSC) and solid-state nuclear magnetic resonance spectroscopy. PEtOx/PPrOx appeared to form an immiscible blend based on DSC and this was even more pronounced after heating. The six drugs that were tested in this work did not show any preference for one of the two phases. PEtOx/PsecBuOx on the other hand appeared to be miscible forming a homogeneous blend between the two polymers and the drugs.
Mineral Composition of Three Popular Wild Mushrooms from Poland
Authors: Gałgowska Michalina , Pietrzak-Fiećko Renata
Published: August 2020

The region of Warmia and Mazury is characterized by the special diversity and richness of its natural environment, including large forest complexes, where wild mushrooms are commonly collected and consumed. This study aimed to examine the differences in mineral content (calcium, magnesium, sodium, potassium, iron, zinc, copper, manganese) of three species of mushrooms collected in north-eastern Poland. The research material consisted of dried samples of king bolete (Boletus edulis), bay bolete (Boletus badius), and chanterelle (Cantharellus cibarius) collected in the region of Warmia and Mazury. The content of the above-mentioned elements in mushroom fruit bodies was determined using the flame atomic absorption spectrometry (acetylene-air flame) and the emission technique (acetylene-air flame) for sodium and potassium. For the majority of micro- and macroelements, the studies confirmed the presence of significant differences in their content, depending on the species of fungi. The studied mushrooms cover a significant percentage of daily demand for many of the minerals. This concerns mainly copper, zinc, and potassium, although none of the species was a good source of calcium and sodium. Among the analyzed mushrooms, chanterelle is the best source of most minerals.
Synthesis, Docking, Computational Studies, and Antimicrobial Evaluations of New Dipeptide Derivatives Based on Nicotinoylglycylglycine Hydrazide
Authors: Khalaf Hemat S. , Naglah Ahmed M. , Al-Omar Mohamed A. , Moustafa Gaber O. , Awad Hassan M. , Bakheit Ahmed H.
Published: August 2020

Within a series of dipeptide derivatives (5–11), compound 4 was refluxed with d-glucose, d-xylose, acetylacetone, diethylmalonate, carbon disulfide, ethyl cyanoacetate, and ethyl acetoacetate which yielded 5–11, respectively. The candidates 5–11 were characterized and their biological activities were evaluated where they showed different anti-microbial inhibitory activities based on the type of pathogenic microorganisms. Moreover, to understand modes of binding, molecular docking was used of Nicotinoylglycine derivatives with the active site of the penicillin-binding protein 3 (PBP3) and sterol 14-alpha demethylase’s (CYP51), and the results, which were achieved via covalent and non-covalent docking, were harmonized with the biological activity results. Therefore, it was extrapolated that compounds 4, 7, 8, 9, and 10 had good potential to inhibit sterol 14-alpha demethylase and penicillin-binding protein 3; consequently, these compounds are possibly suitable for the development of a novel antibacterial and antifungal therapeutic drug. In addition, in silico properties of absorption, distribution, metabolism, and excretion (ADME) indicated drug likeness with low to very low oral absorption in most compounds, and undefined blood–brain barrier permeability in all compounds. Furthermore, toxicity (TOPKAT) prediction showed probability values for all carcinogenicity models were medium to pretty low for all compounds.
Therapeutic Potential of Selenium as a Component of Preservation Solutions for Kidney Transplantation
Authors: Ostróżka-Cieślik Aneta , Dolińska Barbara , Ryszka Florian
Published: August 2020

Selenium has strong antioxidant properties and diverse effects on the immune system. The aim of the study was to analyse the protective effect of selenium as a component of a kidney preservation solution on the prevention of ischemia-reperfusion injury of nephrons. The solution was modified by the addition of Se (1 µg/L), prolactin (0.1 µg/L) and Se with prolactin (1 µg/L Se + 0.1 µg/L PRL). The study used a model for storing isolated porcine kidneys in Biolasol® (modified Biolasol®), which minimizes ischemia-reperfusion injury of grafts. The introduction of Se4+ ions at a dose of 1 µg/L into the Biolasol® preservation solution in the form of Na2SeO3 caused an increase in the activity/concentration of the analysed biochemical parameters: aspartate transaminase, alanine transaminase, urea and protein. This suggests an adverse effect of Se4+ on nephron function during ischemia-reperfusion. The best graft protection was obtained by using Biolasol® modified with the addition of selenium (IV) at a dose of 1 µg/L and prolactin at a concentration of 0.1 µg/L. We proposed the mechanism of prolactin action in the metabolic reduction of selenite (SO32−) during ischemia/reperfusion.
In Vitro Scolicidal Activity of the Sesquiterpenes Isofuranodiene, α-Bisabolol and Farnesol on Echinococcus granulosus Protoscoleces
Authors: Youssefi Mohammad Reza , Nikpay Ali , Hassanpour Niloufar , Mirzapour Aida , Tabari Parisa Saleh , Pavela Roman , Maggi Filippo , Petrelli Riccardo
Published: August 2020

Cystic echinococcosis (CE) remains an important challenge both in humans and animals. There is no safe and suitable remedy for CE, so the discovery of new compounds with promising scolicidal effects, particularly from herbal sources, is of great importance for therapeutic uses in the treatment and prevention of CE reappearance. Sesquiterpenes are C15 organic compounds made up of three isoprene units and mostly occurring as fragrant components of essential oils. They are of economic importance for the cosmetic and pharmaceutical industry, and recently attracted the attention of the scientific community for their remarkable parasiticidal properties. In the present study, we have focused on three known sesquiterpenes, isofuranodiene (IFD), α-bisabolol (BSB), and farnesol (FOH), as important phytoconstituents of the essential oils of wild celery (Smyrnium olusatrum), chamomile (Matricaria chamomilla), and acacia farnese (Vachellia farnesiana), respectively. Protoscoleces were recovered from fertile hydatid cysts and were exposed to different concentrations of the three tested compounds for different exposure times. The viability of protoscoleces was confirmed by 0.1% eosin staining. Results of scolicidal activity evaluations showed that IFD possessed the best effect against Echinococcus granulosus protoscoleces (LC50 and LC90 values of 8.87 and 25.48 µg/mL, respectively), followed by BSB (LC50 of 103.2 µg/mL) and FOH (LC50 of 113.68 µg/mL). The overall toxicity of IFD differed significantly from those of FOH and BSB, while there was no significant difference in toxicity between the latter compounds (p > 0.05). The present study showed that IFD seems to be a promising scolicidal agent and can be further tested to become a candidate for CE treatment.
Anticancer and Antiviral Properties of Cardiac Glycosides: A Review to Explore the Mechanism of Actions
Authors: Reddy Dhanasekhar , Kumavath Ranjith , Barh Debmalya , Azevedo Vasco , Ghosh Preetam
Published: August 2020

Cardiac glycosides (CGs) have a long history of treating cardiac diseases. However, recent reports have suggested that CGs also possess anticancer and antiviral activities. The primary mechanism of action of these anticancer agents is by suppressing the Na+/k+-ATPase by decreasing the intracellular K+ and increasing the Na+ and Ca2+. Additionally, CGs were known to act as inhibitors of IL8 production, DNA topoisomerase I and II, anoikis prevention and suppression of several target genes responsible for the inhibition of cancer cell proliferation. Moreover, CGs were reported to be effective against several DNA and RNA viral species such as influenza, human cytomegalovirus, herpes simplex virus, coronavirus, tick-borne encephalitis (TBE) virus and Ebola virus. CGs were reported to suppress the HIV-1 gene expression, viral protein translation and alters viral pre-mRNA splicing to inhibit the viral replication. To date, four CGs (Anvirzel, UNBS1450, PBI05204 and digoxin) were in clinical trials for their anticancer activity. This review encapsulates the current knowledge about CGs as anticancer and antiviral drugs in isolation and in combination with some other drugs to enhance their efficiency. Further studies of this class of biomolecules are necessary to determine their possible inhibitory role in cancer and viral diseases.
Effect of Astaxanthin on the Inhibition of Lipid Accumulation in 3T3-L1 Adipocytes via Modulation of Lipogenesis and Fatty Acid Transport Pathways
Authors: Tsai Mei-Chih , Huang Shih-Chien , Chang Wei-Tang , Chen Shiuan-Chih , Hsu Chin-Lin
Published: August 2020

Obesity is defined as a condition of excessive fat tissue accumulation. It was the major factor most closely associated with lifestyle-related diseases. In the present study, we investigated the effect of astaxanthin on the inhibition of lipid accumulation in 3T3-L1 adipocytes. 3T3-L1 adipocytes were treated with 0–25 µg/mL of astaxanthin for 0–48 h. The result indicated that astaxanthin significantly decreased the oil Red O stained material (OROSM), intracellular triglyceride accumulation, and glycerol 3-phosphate dehydrogenase (GPDH) activity in 3T3-L1 adipocytes (p < 0.05). At the molecular level, astaxanthin significantly down-regulated the mRNA expression of peroxisome proliferator-activated receptor-γ (PPARγ) in 3T3-L1 adipocytes (p < 0.05). Moreover, target genes of PPARγ on the inhibition of lipogenesis, such as Acetyl-CoA carboxylase (ACC), fatty acid synthase (FAS), fatty acid binding protein (aP2), cluster of differentiation 36 (CD36), and lipoprotein lipase (LPL) in 3T3-L1 adipocytes were significantly down-regulated at a time-dependent manner (p < 0.05). These results suggested that astaxanthin efficiently suppressed lipid accumulation in 3T3-L1 adipocytes and its action is associated with the down-regulation of lipogenesis-related genes and the triglyceride accumulation in 3T3-L1 adipocytes. Therefore, astaxanthin can be developed as a potential nutraceutical ingredient for the prevention of obesity in a niche market.
High Efficacy of Ozonated Oils on the Removal of Biofilms Produced by Methicillin-Resistant Staphylococcus aureus (MRSA) from Infected Diabetic Foot Ulcers
Authors: Silva Vanessa , Peirone Cecília , Amaral Joana S. , Capita Rosa , Alonso-Calleja Carlos , Marques-Magallanes José A. , Martins Ângela , Carvalho Águeda , Maltez Luís , Pereira José Eduardo , Capelo José Luís , Igrejas Gilberto , Poeta Patrícia
Published: August 2020

Ozone has a high wound healing capacity and antibacterial properties and can be used as a complementary treatment in infections. Methicillin-resistant S. aureus (MRSA) is the most common pathogen found in infected diabetic foot ulcers. Most of MRSA are resistant to several classes of antibiotics and, therefore, there is a need for new, effective, and well-tolerated agents. Thus, we aimed evaluate the antimicrobial and antibiofilm potentials of ozonated vegetable oils against MRSA strains isolated from diabetic foot ulcers. Six ozonated oils were produced with concentrations of ozone ranging from 0.53 to 17 mg of ozone/g of oil. The peroxide values were determined for each oil. Ozonated oils content on fatty acid was determined by gas chromatography equipped with a flame ionization detector. The antimicrobial susceptibility testing was performed by the Kirby–Bauer disk diffusion method and the effect of ozonated oils on biofilm formation ability and on established biofilms was investigated. In general, the content in identified unsaturated fatty acid in oils decreased with the increase of ozonation time and, consequently, the peroxide value increased. Most bacterial strains were inhibited by ozonated oil at a concentration of 4.24 mg/g. Ozonated oils had moderate to high ability to remove adhered cells and showed a high capacity to eradicate 24 h old biofilms. Our results show promising use of ozonated oils on the treatment of infections, in particular those caused by multidrug-resistant MRSA strains.
Recent Advances in the Chemistry of Metal Carbamates
Authors: Bresciani Giulio , Biancalana Lorenzo , Pampaloni Guido , Marchetti Fabio
Published: August 2020

Following a related review dating back to 2003, the present review discusses in detail the various synthetic, structural and reactivity aspects of metal species containing one or more carbamato ligands, representing a large family of compounds across all the periodic table. A preliminary overview is provided on the reactivity of carbon dioxide with amines, and emphasis is given to recent findings concerning applications in various fields.
Effects of Secretome from Fat Tissues on Ion Currents of Cardiomyocyte Modulated by Sodium-Glucose Transporter 2 Inhibitor
Authors: Jhuo Shih-Jie , Liu I-Hsin , Tsai Wei-Chung , Chou Te-Wu , Lin Yi-Hsiung , Wu Bin-Nan , Lee Kun-Tai , Lai Wen-Ter
Published: August 2020

Sodium-glucose transporter 2 (SGLT2) inhibitors were shown to decrease mortality from cardiovascular diseases in the EMPA-REG trial. However, the effects of empagliflozin (EMPA) for cardiac arrhythmia are not yet clarified. A total of 20 C57BL/6J mice were divided into four groups: (1) The control group were fed standard chow, (2) the metabolic syndrome (MS) group were fed a high-fat diet, (3) the empagliflozin (EMPA) group were fed a high-fat diet and empagliflozin 10 mg/kg daily, and (4) the glibenclamide (GLI) group were fed a high-fat diet and glibenclamide 0.6 mg/kg daily. All mice were sacrificed after 16 weeks of feeding. H9c2 cells were treated with adipocytokines from the pericardial and peripheral fat from the study groups. The delayed-rectifier potassium current (IK) and L-type calcium channel current (ICa,L) were measured by the whole-cell patch clamp techniques. Adipocytokines from the peripheral and pericardial fat tissues of mice with MS could decrease the IK and increase the ICa,L of cardiomyocytes. After treating adipocytokines from pericardial fat, the IK in the EMPA and GLI groups were significantly higher than that in the MS group. The IK of the EMPA group was also significantly higher than the GLI group. The ICa,L of the EMPA and GLI groups were significantly decreased overload compared with that of the MS group. However, there was no significant difference of IK and ICa,L among study groups after treating adipocytokines from peripheral fat. Adipocytokines from pericardial fat but not peripheral fat tissues after EMPA therapy attenuated the effects of IK decreasing and ICa,L increasing in the MS cardiomyocytes, which may contribute to anti-arrhythmic mechanisms of sodium-glucose transporter 2 (SGLT2) inhibitors.
Zeaxanthin and Lutein: Photoprotectors, Anti-Inflammatories, and Brain Food
Authors: Demmig-Adams Barbara , López-Pozo Marina , Stewart Jared J. , Adams William W.
Published: August 2020

This review compares and contrasts the role of carotenoids across the taxa of life—with a focus on the xanthophyll zeaxanthin (and its structural isomer lutein) in plants and humans. Xanthophylls’ multiple protective roles are summarized, with attention to the similarities and differences in the roles of zeaxanthin and lutein in plants versus animals, as well as the role of meso-zeaxanthin in humans. Detail is provided on the unique control of zeaxanthin function in photosynthesis, that results in its limited availability in leafy vegetables and the human diet. The question of an optimal dietary antioxidant supply is evaluated in the context of the dual roles of both oxidants and antioxidants, in all vital functions of living organisms, and the profound impact of individual and environmental context.
Cannabidiol Determination on Peripheral Capillary Blood Using a Microsampling Method and Ultra-High-Performance Liquid Chromatography Tandem Mass Spectrometry with On-Line Sample Preparation
Authors: Pigliasco Federica , Barco Sebastiano , Dubois Sara , Marchese Francesca , Striano Pasquale , Lomonaco Tommaso , Mattioli Francesca , Tripodi Gino , Cangemi Giuliana
Published: August 2020

The aim of this work is to evaluate volumetric absorptive microsampling (VAMS) from capillary blood as an alternative strategy for therapeutic drug monitoring (TDM) in patients treated with the newly available GW-purified form of cannabidiol (Epidiolex®). A fast ultra-high-performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) coupled to an online sample preparation system analysis was carried out on a Thermo Scientific Ultimate 3000 LC system coupled to a TSQ Quantiva triple quadrupole for the quantification of cannabidiol (CBD) and, in addition, delta-9-tetrahydrocannabinol (Δ9-THC). After validation using European Medicine Agency (EMA) guidelines the method was applied to samples obtained by finger prick of five pediatric patients treated with Epidiolex® and the results were compared to those obtained from venous blood and plasma. The method is linear in the range of 1–800 µg/L for both CBD and THC with intra- and inter-day precisions ranging from 5% to 14% and accuracies from −13% to +14% starting from 30 µL of sample. Stability in VAMS is ensured for up to 4 weeks at 25 °C thus allowing simple delivery. There was no difference (p = 0.69) between concentrations of CBD measured from VAMS sampled from capillary or venous blood (range: 52.19–330.14 or 72.15–383.45 µg/L) and those obtained from plasma (range: 64.3–374.09 µg/L) The VAMS-LC-MS/MS method represents a valid alternative strategy for therapeutic drug monitoring of patients treated with Epidiolex®.
Design and Synthesis of Novel Hybrid 8-Hydroxy Quinoline-Indole Derivatives as Inhibitors of Aβ Self-Aggregation and Metal Chelation-Induced Aβ Aggregation
Authors: Bowroju Suresh K. , Mainali Nirjal , Ayyadevara Srinivas , Penthala Narsimha R. , Krishnamachari Sesha , Kakraba Samuel , Reis Robert J. Shmookler , Crooks Peter A.
Published: August 2020

A series of novel hybrid 8-hydroxyquinoline-indole derivatives (7a–7e, 12a–12b and 18a–18h) were synthesized and screened for inhibitory activity against self-induced and metal-ion induced Aβ1–42 aggregation as potential treatments for Alzheimer’s disease (AD). In vitro studies identified the most inhibitory compounds against self-induced Aβ1–42 aggregation as 18c, 18d and 18f (EC50 = 1.72, 1.48 and 1.08 µM, respectively) compared to the known anti-amyloid drug, clioquinol (1, EC50 = 9.95 µM). The fluorescence of thioflavin T-stained amyloid formed by Aβ1–42 aggregation in the presence of Cu2+ or Zn2+ ions was also dramatically decreased by treatment with 18c, 18d and 18f. The most potent hybrid compound 18f afforded 82.3% and 88.3% inhibition, respectively, against Cu2+- induced and Zn2+- induced Aβ1–42 aggregation. Compounds 18c, 18d and 18f were shown to be effective in reducing protein aggregation in HEK-tau and SY5Y-APPSw cells. Molecular docking studies with the most active compounds performed against Aβ1–42 peptide indicated that the potent inhibitory activity of 18d and 18f were predicted to be due to hydrogen bonding interactions, π–π stacking interactions and π–cation interactions with Aβ1–42, which may inhibit both self-aggregation as well as metal ion binding to Aβ1–42 to favor the inhibition of Aβ1–42 aggregation.