bluuebunny/crossref_metadata_2025 huggingface dataset:
On the Microstructure of Laser Beam Powder Bed Fusion Alloy 718 and Its Influence on the Low Cycle Fatigue Behaviour
Authors: Balachandramurthi Arun Ramanathan , Jaladurgam Nitesh Raj , Kumara Chamara , Hansson Thomas , Moverare Johan , Gårdstam Johannes , Pederson Robert
Published: November 2020

Additive manufacturing of Alloy 718 has become a popular subject of research in recent years. Understanding the process-microstructure-property relationship of additively manufactured Alloy 718 is crucial for maturing the technology to manufacture critical components. Fatigue behaviour is a key mechanical property that is required in applications such as gas turbines. Therefore, in the present work, low cycle fatigue behaviour of Alloy 718 manufactured by laser beam powder bed fusion process has been investigated. The material was tested in as-built condition as well as after two different thermal post-treatments. Three orientations with respect to the building direction were tested to evaluate the anisotropy. Testing was performed at room temperature under controlled amplitudes of strain. It was found that defects, inclusions, strengthening precipitates, and Young’s modulus influence the fatigue behaviour under strain-controlled conditions. The strengthening precipitates affected the deformation mechanism as well as the cycle-dependent hardening/softening behaviour. The defects and the inclusions had a detrimental effect on fatigue life. The presence of Laves phase in LB-PBF Alloy 718 did not have a detrimental effect on fatigue life. Young’s modulus was anisotropic and it contributed to the anisotropy in strain-life relationship. Pseudo-elastic stress vs. fatigue life approach could be used to handle the modulus-induced anisotropy in the strain-life relationship.
Experimental and Numerical Analysis of 60-Year-Old Sluice Gate Affected by Long-Term Operation
Authors: Pástor Miroslav , Bocko Jozef , Lengvarský Pavol , Sivák Peter , Šarga Patrik
Published: November 2020

Technological units of water reservoirs and power plants include sluice gates which are designed to completely seal the inflow or outflow of water in supply or discharge channels. This article describes the issue of technical assessment of a sluice gate made in the 1950s. Such structures are characterised by states of significant corrosive wear, permanent deformations of contact and sealing surfaces as well as increased levels of residual stresses. In such cases, it is difficult to determine service life using only numerical modelling methods, mainly due to problematic definition of material properties and boundary conditions. Therefore, for safety assessment, it is necessary to verify these facts experimentally. This article presents the procedure for assessing safe operation of the sluice gate on which places with permanent deformation and a broken part of the guide wheel flange were identified. By means of numerical modelling, we identified critical stress values at the locations of reinforcing elements, which were modified, and the stress values were reduced by about 15%. The results of numerical modelling were verified at select locations by experimental measurements during operation using strain gauges. The maximum values of operational normal stresses in the assessed places reached about 27 MPa. Based on the comparison of obtained results and taking into account values of residual stresses reaching up to 190 MPa made by shielded metal arc welding, it can be stated that, for safe operation of the sluice gate, it is necessary to follow the proposed procedure during its lowering and to modify the reinforcing elements structurally.
Optimization of the Fine to Coarse Aggregate Ratio for the Workability and Mechanical Properties of High Strength Steel Fiber Reinforced Concretes
Authors: Iqbal Khan Mohammad , Abbass Wasim , Alrubaidi Mohammad , Alqahtani Fahad K.
Published: November 2020

High-strength concrete is used to provide quality control for concrete structures, yet it has the drawback of brittleness. The inclusion of fibers improves the ductility of concrete but negatively affects the fresh properties of fiber-reinforced concrete. The effects of different fine to coarse aggregate ratios on the fresh and hardened properties of steel fiber reinforced concrete were investigated in this study. Mixtures were prepared with various fine to coarse aggregate (FA/CA) ratios incorporating 1% steel fiber content (by volume) at constant water to cement ratio. The workability, unit weight, and temperature of the concrete in the fresh state, and the mechanical properties of steel-fiber-reinforced concrete (SFRC) were investigated. The inclusion of fiber in concrete influenced the mobility of concrete in the fresh state by acting as a barrier to the movement of coarse aggregate. It was observed that the concrete with an FA/CA ratio above 0.8 showed better flowability in the fresh state, whilst an above 0.9 FA/CA ratio requires excessive superplasticizer to maintain the flowability of the mixtures. The compressive and flexural strength of SFRC increased with an increase in the FA/CA ratio by around 10% and 28%, respectively. Experimental values of compressive strength and flexural strength showed good agreement, however, modulus of elasticity demonstrated slightly higher values. The experimentally obtained measurements of the mechanical properties of SFRC conformed reasonably well with the available existing prediction equations, and further enabled establishing predictive isoresponse interactive equations within the scope of the investigation domain.
The Geometry of a Randers Rotational Surface with an Arbitrary Direction Wind
Authors: Hama Rattanasak , Sabau Sorin V.
Published: November 2020

In the present paper, we study the global behaviour of geodesics of a Randers metric, defined on Finsler surfaces of revolution, obtained as the solution of the Zermelo’s navigation problem. Our wind is not necessarily a Killing field. We apply our findings to the case of the topological cylinder R×S1 and describe in detail the geodesics behaviour, the conjugate and cut loci.
Desalination Performance Assessment of Scalable, Multi-Stack Ready Shock Electrodialysis Unit Utilizing Anion-Exchange Membranes
Authors: Čížek Jan , Cvejn Petr , Marek Jaromír , Tvrzník David
Published: November 2020

Incumbent electromembrane separation processes, including electrodialysis (ED) and electrodeionization (EDI), provide competitive techniques for desalination, selective separation, and unique solutions for ultra-pure water production. However, most of these common electrochemical systems are limited by concentration polarization and the necessity for multistep raw water pre-treatment. Shock electrodialysis (SED) utilizes overlimiting current to produce fresh, deionized water in a single step process by extending ion depleted zones that propagate through a porous medium as a sharp concentration gradient or a shock wave. So far, SED has been demonstrated on small scale laboratory units using cation-exchange membranes. In this work, we present a scalable and multi-stack ready unit with a large, 5000 mm2 membrane active area designed and constructed at the Technical University of Liberec in cooperation with MemBrain s.r.o. and Mega a.s. companies (Czechia). We report more than 99% salt rejection using anion-exchange membranes, depending on a dimensionless parameter that scales the constant applied current by the limiting current. It is shown that these parameters are most probably associated with pore size and porous media chemistry. Further design changes need to be done to the separator, the porous medium, and other functional elements to improve the functionality and energy efficiency.
Review of Synthetic and Hybrid Scaffolds in Cartilage Tissue Engineering
Authors: Wasyłeczko Monika , Sikorska Wioleta , Chwojnowski Andrzej
Published: November 2020

Cartilage tissue is under extensive investigation in tissue engineering and regenerative medicine studies because of its limited regenerative potential. Currently, many scaffolds are undergoing scientific and clinical research. A key for appropriate scaffolding is the assurance of a temporary cellular environment that allows the cells to function as in native tissue. These scaffolds should meet the relevant requirements, including appropriate architecture and physicochemical and biological properties. This is necessary for proper cell growth, which is associated with the adequate regeneration of cartilage. This paper presents a review of the development of scaffolds from synthetic polymers and hybrid materials employed for the engineering of cartilage tissue and regenerative medicine. Initially, general information on articular cartilage and an overview of the clinical strategies for the treatment of cartilage defects are presented. Then, the requirements for scaffolds in regenerative medicine, materials intended for membranes, and methods for obtaining them are briefly described. We also describe the hybrid materials that combine the advantages of both synthetic and natural polymers, which provide better properties for the scaffold. The last part of the article is focused on scaffolds in cartilage tissue engineering that have been confirmed by undergoing preclinical and clinical tests.
PEO of AZ31 Mg Alloy: Effect of Electrolyte Phosphate Content and Current Density
Authors: Hadzima Branislav , Kajánek Daniel , Jambor Michal , Drábiková Juliána , Březina Matěj , Buhagiar Joseph , Pastorková Jana , Jacková Martina
Published: November 2020

In this work, the quality of coatings prepared by plasma electrolytic oxidation (PEO) on an AZ31 magnesium alloy were evaluated. This was done by studying the effects of the chemical composition of phosphate-based process electrolytes in combination with different applied current densities on coating thickness, porosity, micro-cracking and corrosion resistance in 0.1 M NaCl. Both processing parameters were studied in four different levels. Mid-term corrosion resistance in 0.1 M NaCl was examined by electrochemical impedance spectroscopy and based on this, corrosion mechanisms were hypothesized. Results of performed experiments showed that the chosen processing parameters and electrolyte composition significantly influenced the morphology and corrosion performance of the prepared PEO coatings. The PEO coating prepared in an electrolyte with 12 g/L Na3PO4·12H2O and using an applied current density 0.05 A/cm2 reached the highest value of polarization resistance. This was more than 11 times higher when compared to the uncoated counterpart.
An Analytical Model for Predicting the Stress Intensity Factor of Single-Hole-Edge Crack in Diffusion Bonding Laminates with Preset Unbonded Area
Authors: Liu Yang , Liu Shutian
Published: November 2020

The diffusion bonding titanium alloy laminates with preset unbonded area (DBTALPUA) compared with other titanium alloy structural forms has good damage tolerance performance and designability. It is important to fast get the damage estimation of the DBTALPUA with crack. The stress intensity factor (SIF) of the crack is an effective indicator to give the damage estimation. In order to get the SIF fast, this paper proposed an analytical model to calculate SIF for single hole-edge crack in DBTALPUA with hole under tension loading. Comparison of the results obtained through this analytical model and numerical simulation illustrated that the analytical model can rapidly predict the SIF with fine precision.
Influence of Indomethacin on Steroid Metabolism: Endocrine Disruption and Confounding Effects in Urinary Steroid Profiling of Anti-Doping Analyses
Authors: Stoll Anna , Iannone Michele , De Gregorio Giuseppina , Molaioni Francesco , de la Torre Xavier , Botrè Francesco , Parr Maria Kristina
Published: November 2020

Anabolic androgenic steroids (AAS) are prohibited as doping substances in sports by the World Anti-Doping Agency. Concentrations and concentration ratios of endogenous AAS (steroid profile markers) in urine samples collected from athletes are used to detect their administration. Certain (non-prohibited) drugs have been shown to influence the steroid profile and thereby sophisticate anti-doping analysis. It was shown in vitro that the non-steroidal anti-inflammatory drug (NSAID) indomethacin inhibits selected steroid-biotransformations catalyzed by the aldo-keto reductase (AKR) 1C3, which plays a key role in the endogenous steroid metabolism. Kinetic parameters for the indomethacin-mediated inhibition of the AKR1C3 catalyzed reduction in etiocholanolone were determined in vitro using two comparing methods. As NSAIDs are very frequently used (not only) by athletes, the inhibitory impact of indomethacin intake on the steroid metabolism was evaluated, and steroid profile alterations were detected in vivo (one male and one female volunteer). Significant differences between samples collected before, during or after the intake of indomethacin for selected steroid profile markers were observed. The presented results are of relevance for the interpretation of results from doping control analysis. Additionally, the administration of NSAIDs should be carefully reconsidered due to their potential as endocrine disruptors.
Evaluation of Different Tandem MS Acquisition Modes to Support Metabolite Annotation in Human Plasma Using Ultra High-Performance Liquid Chromatography High-Resolution Mass Spectrometry for Untargeted Metabolomics
Authors: Pezzatti Julian , González-Ruiz Víctor , Boccard Julien , Guillarme Davy , Rudaz Serge
Published: November 2020

Ultra-high performance liquid chromatography coupled to high-resolution mass spectrometry (UHPLC-HRMS) is a powerful and essential technique for metabolite annotation in untargeted metabolomic applications. The aim of this study was to evaluate the performance of diverse tandem MS (MS/MS) acquisition modes, i.e., all ion fragmentation (AIF) and data-dependent analysis (DDA), with and without ion mobility spectrometry (IM), to annotate metabolites in human plasma. The influence of the LC separation was also evaluated by comparing the performance of MS/MS acquisition in combination with three complementary chromatographic separation modes: reversed-phase chromatography (RPLC) and hydrophilic interaction chromatography (HILIC) with either an amide (aHILIC) or a zwitterionic (zHILIC) stationary phase. RPLC conditions were first chosen to investigate all the tandem MS modes, and we found out that DDA did not provide a significant additional amount of chemical coverage and that cleaner MS/MS spectra can be obtained by performing AIF acquisitions in combination with IM. Finally, we were able to annotate 338 unique metabolites and demonstrated that zHILIC was a powerful complementary approach to both the RPLC and aHILIC chromatographic modes. Moreover, a better analytical throughput was reached for an almost negligible loss of metabolite coverage when IM-AIF and AIF using ramped instead of fixed collision energies were used.
On-Chip Multiple Particle Velocity and Size Measurement Using Single-Shot Two-Wavelength Differential Image Analysis
Authors: Sawa Shuya , Sentoku Mitsuru , Yasuda Kenji
Published: November 2020

Precise and quick measurement of samples’ flow velocities is essential for cell sorting timing control and reconstruction of acquired image-analyzed data. We developed a simple technique for the single-shot measurement of flow velocities of particles simultaneously in a microfluidic pathway. The speed was calculated from the difference in the particles’ elongation in an acquired image that appeared when two wavelengths of light with different irradiation times were applied. We ran microparticles through an imaging flow cytometer and irradiated two wavelengths of light with different irradiation times simultaneously to those particles. The mixture of the two wavelength transmitted lights was divided into two wavelengths, and the images of the same microparticles for each wavelength were acquired in a single shot. We estimated the velocity from the difference of its elongation divided by the difference of irradiation time by comparing these two images. The distribution of polystyrene beads’ velocity was parabolic and highest at the center of the flow channel, consistent with the expected velocity distribution of the laminar flow. Applying the calculated velocity, we also restored the accurate shapes and cross-sectional areas of particles in the images, indicating this simple method for improving of imaging flow cytometry and cell sorter for diagnostic screening of circulating tumor cells.
Development of V-Shaped Beam on the Shock Resistance and Driving Frequency of Micro Quartz Tuning Forks Resonant Gyroscope
Authors: Bai Bing , Li Cun , Zhao Yulong
Published: November 2020

The application of gyroscopes in harsh environments has always been a hot topic. As a high-quality material for manufacturing gyroscopes, quartz crystals need to be designed and optimized to meet the normal operation of gyroscopes in harsh environments. The Micro Electronics Mechanical System(MEMS) quartz tuning forks resonant gyroscope is one of the quartz gyroscopes. The elastic structure (V-shaped beam) between the anchor support point and tuning forks plays a vital role in the MEMS quartz tuning forks resonant gyroscope. This structure determines the natural frequency of the gyroscope, and more importantly, determines the shock resistance of the gyroscope structure. In this article, the MEMS quartz tuning forks gyroscope with different V-shaped beam thicknesses are simulated and analyzed by finite element analysis simulation software. After the modal analysis and shock simulation (the half-cycle sine shock pulse with amplitude of 1500 g (g is the acceleration of gravity) and duration of 2 ms in the six shock directions), the results show that when the beam thickness is 80 μm, the maximum stress is 94.721 MPa, which is less than the failure stress of quartz crystal. The gyroscope’s shock resistance is verified through shock testing.
Amorphous Polymers’ Foaming and Blends with Organic Foaming-Aid Structured Additives in Supercritical CO2, a Way to Fabricate Porous Polymers from Macro to Nano Porosities in Batch or Continuous Processes
Authors: Haurat Margaux , Dumon Michel
Published: November 2020

Organic polymers can be made porous via continuous or discontinuous expansion processes in scCO2. The resulting foams properties are controlled by the interplay of three groups of parameters: (i) Chemical, (ii) physico-chemical, and (iii) technological/process that are explained in this paper. The advantages and drawbacks of continuous (extrusion, injection foaming) or discontinuous (batch foaming) foaming processes in scCO2, will be discussed in this article; especially for micro or nano cellular polymers. Indeed, a challenge is to reduce both specific mass (e.g., ρ < 100 kg·m−3) and cell size (e.g., average pore diameter ϕaveragepores < 100 nm). Then a particular system where small “objects” (coreshells CS, block copolymer MAM) are perfectly dispersed at a micrometric to nanometric scale in poly(methyl methacrylate) (PMMA) will be presented. Such “additives”, considered as foaming aids, are aimed at “regulating” the foaming and lowering the pore size and/or density of PMMA based foams. Differences between these additives will be shown. Finally, in a PMMA/20 wt% MAM blend, via a quasi one-step batch foaming, a “porous to nonporous” transition is observed in thick samples. A lower limit of pore size (around 50 nm) seems to arise.
Recovery of a Bacteriocin-Like Inhibitory Substance from Lactobacillus bulgaricus FTDC 1211 Using Polyethylene-Glycol Impregnated Amberlite XAD-4 Resins System
Authors: Abdul Aziz Nur Fazrin Husna , Abbasiliasi Sahar , Ng Zhang Jin , Abu Zarin Mazni , Oslan Siti Nurbaya , Tan Joo Shun , Ariff Arbakariya Bin
Published: November 2020

Lactobacillus bulgaricus is a LAB strain which is capable of producing bacteriocin substances to inhibit Staphylococcus aureus. The aim of this study was to purify a bacteriocin-like inhibitory substance (BLIS) produced by L. bulgaricus FTDC 1211 using an aqueous impregnated resins system consisting of polyethylene-glycol (PEG) impregnated on Amberlite XAD4. Important parameters influencing on purification of BLIS, such as the molecular weight and concentration of PEG, the concentration and pH of sodium citrate and the concentration of sodium chloride, were optimized using a response surface methodology. Under optimum conditions of 11% (w/w) of PEG 4000 impregnated Amberlite XAD4 resins and 2% (w/w) of sodium citrate at pH 6, the maximum purification factor (3.26) and recovery yield (82.69% ± 0.06) were obtained. These results demonstrate that AIRS could be used as an alternate purification system in the primary recovery step.
Molecular Modeling to Estimate the Diffusion Coefficients of Drugs and Other Small Molecules
Authors: Miyamoto Shuichi , Shimono Kazumi
Published: November 2020

Diffusion is a spontaneous process and one of the physicochemical phenomena responsible for molecular transport, the rate of which is governed mainly by the diffusion coefficient; however, few coefficients are available because the measurement of diffusion rates is not straightforward. The translational diffusion coefficient is related by the Stokes–Einstein equation to the approximate radius of the diffusing molecule. Therefore, the stable conformations of small molecules were first calculated by molecular modeling. A simple radius rs and an effective radius re were then proposed and estimated using the stable conformers with the van der Waals radii of atoms. The diffusion coefficients were finally calculated with the Stokes–Einstein equation. The results showed that, for the molecules with strong hydration ability, the diffusion coefficients are best given by re and for other compounds, rs provided the best coefficients, with a reasonably small deviation of ~0.3 × 10−6 cm2/s from the experimental data. This demonstrates the effectiveness of the theoretical estimation approach, suggesting that diffusion coefficients have potential use as an additional molecular property in drug screening.
The Role of Vitamin C, Vitamin D, and Selenium in Immune System against COVID-19
Authors: Bae Minkyung , Kim Hyeyoung
Published: November 2020

Low levels of micronutrients have been associated with adverse clinical outcomes during viral infections. Therefore, to maximize the nutritional defense against infections, a daily allowance of vitamins and trace elements for malnourished patients at risk of or diagnosed with coronavirus disease 2019 (COVID-19) may be beneficial. Recent studies on COVID-19 patients have shown that vitamin D and selenium deficiencies are evident in patients with acute respiratory tract infections. Vitamin D improves the physical barrier against viruses and stimulates the production of antimicrobial peptides. It may prevent cytokine storms by decreasing the production of inflammatory cytokines. Selenium enhances the function of cytotoxic effector cells. Furthermore, selenium is important for maintaining T cell maturation and functions, as well as for T cell-dependent antibody production. Vitamin C is considered an antiviral agent as it increases immunity. Administration of vitamin C increased the survival rate of COVID-19 patients by attenuating excessive activation of the immune response. Vitamin C increases antiviral cytokines and free radical formation, decreasing viral yield. It also attenuates excessive inflammatory responses and hyperactivation of immune cells. In this mini-review, the roles of vitamin C, vitamin D, and selenium in the immune system are discussed in relation to COVID-19.
Cyclic Olefin Copolymer Interleaves for Thermally Mendable Carbon/Epoxy Laminates
Authors: Zovi Riccardo Costan , Mahmood Haroon , Dorigato Andrea , Fredi Giulia , Pegoretti Alessandro
Published: November 2020

Thin cyclic olefin copolymer (COC) foils were used as intrinsic thermoplastic healing agents in carbon fiber (CF)-reinforced epoxy laminates. COC films were produced by hot pressing and were interleaved in the interlaminar regions between each EP/CF lamina, during the hand layup fabrication of the laminates. Three samples were produced, i.e., the neat EP/CF laminate without COC, and two laminates containing COC layers with a thickness of 44 μm and 77 μm, respectively. It was observed that the fiber volume fraction decreased, and the porosity increased with the introduction of COC layers, and this effect was more evident when thick films were used. These two effects, combined with the sub-optimal adhesion between COC and EP, caused a decrease in the mechanical properties (i.e., the elastic modulus, flexural strength, interlaminar shear strength and interlaminar fracture toughness) of the laminates. Specimens subjected to mode I interlaminar fracture toughness test were then thermally mended under pressure by resistive heating, through the Joule effect of conductive CFs. A temperature of approximately 190 °C was reached during the healing treatment. The healing efficiency was evaluated as the ratio of critical strain energy release rate (GIC) of the healed and virgin specimens. Healed specimens containing COC layers of 44 μm and 77 μm exhibited a healing efficiency of 164% and 100%, respectively. As expected, the healing treatment was not beneficial for the neat EP/CF laminate without COC, which experienced a healing efficiency of only 2%. This result proved the efficacy of COC layers as a healing agent for EP/CF laminates, and the effectiveness of resistive heating as a way to activate the intrinsic healing mechanism.
Molecular Modeling, Synthesis and Biological Evaluation of N-Phenyl-4-Hydroxy-6-Methyl-2-Quinolone-3-CarboxAmides as Anticancer Agents
Authors: Sabbah Dima A. , Hasan Shaima’ E. , Abu Khalaf Reema , Bardaweel Sanaa K. , Hajjo Rima , Alqaisi Khalid M. , Sweidan Kamal A. , Al-Zuheiri Aya M.
Published: November 2020

The emergence of phosphatidylinositol 3-kinase (PI3Kα) in cancer development has accentuated its significance as a potential target for anticancer drug design. Twenty one derivatives of N-phenyl-4-hydroxy-6-methyl-2-quinolone-3-carboxamide were synthesized and characterized using NMR (1H and 13C) and HRMS. The derivatives displayed inhibitory activity against human epithelial colorectal adenocarcinoma (Caco-2) and human colon cancer (HCT-116) cell lines: compounds 8 (IC50 Caco-2 = 98 µM, IC50 HCT-116 = 337 µM) and 16 (IC50 Caco-2 = 13 µM, IC50 HCT-116 = 240.2 µM). Results showed that compound 16 significantly affected the gene encoding AKT, BAD, and PI3K. The induced-fit docking (IFD) studies against PI3Kα demonstrated that the scaffold accommodates the kinase domains and forms H-bonds with significant binding residues.
Comparative Study of the Effects of Light Controlled Germination Conditions on Saponarin Content in Barley Sprouts and Lipid Accumulation Suppression in HepG2 Hepatocyte and 3T3-L1 Adipocyte Cells Using Barley Sprout Extracts
Authors: Kim Jae Sil , Jeong Eunseon , Jo So Min , Park Joonho , Kim Ji Yeon
Published: November 2020

Barley sprouts (BS) contain physiologically active substances and promote various positive physiological functions in the human body. The levels of the physiologically active substances in plants depend on their growth conditions. In this study, BS were germinated using differently colored LED lights and different nutrient supplements. Overall, there were 238 varied BS samples analyzed for their total polyphenol and flavonoid contents. Principal component analysis (PCA) was performed to determine the relationship between the germinated samples and their total polyphenol and flavonoid contents, and those with high levels were further analyzed for their saponarin content. Based on the PCA plot, the optimal conditions for metabolite production were blue light with 0.1% boric acid supplementation. In vitro experiments using the ethanol extract from the BS cultured in blue light showed that the extract significantly inhibited the total lipid accumulation in 3T3-L1 adipocytes and the lipid droplets in HepG2 hepatocytes. These findings suggest that specific and controlled light source and nutrient conditions for BS growth could increase the production of secondary metabolites associated with inhibited fat accumulation in adipocytes and hepatocytes.
Effects and Characterization of Some Topical Ointments Based on Vegetal Extracts on Incision, Excision, and Thermal Wound Models
Authors: Andritoiu Calin Vasile , Andriescu Corina Elena , Ibanescu Constanta , Lungu Cristina , Ivanescu Bianca , Vlase Laurian , Havarneanu Cornel , Popa Marcel
Published: November 2020

The present paper aims to formulate and characterize four phytotherapeutic ointments based on Hippophae fructus, Calendulae flos, Bardanae folium, and Millefolii herba, which are included in a novel ointment base. In order to investigate the healing properties of the ointments, in vivo experimental wound models of linear incision, circular excision, and thermal burn were performed on Wistar rats. Topical treatment was performed daily for 21 days. Determination of the wound contraction rate (WCR), the period of reepithelization, and histopathological examination were achieved. Additionally, for the tested ointments, oscillatory and rotational rheological tests were carried out, and for the extracts, HPLC analysis was performed. The results demonstrate that the tested novel ointments are safe for use and the most effective ointment proved to be the one based on Arctium lappa, followed by that of Calendulae flos.
Development of Microdroplet Generation Method for Organic Solvents Used in Chemical Synthesis
Authors: Hattori Shohei , Tang Chenghe , Tanaka Daiki , Yoon Dong Hyun , Nozaki Yoshito , Fujita Hiroyuki , Akitsu Takashiro , Sekiguchi Tetsushi , Shoji Shuichi
Published: November 2020

Recently, chemical operations with microfluidic devices, especially droplet-based operations, have attracted considerable attention because they can provide an isolated small-volume reaction field. However, analysis of these operations has been limited mostly to aqueous-phase reactions in water droplets due to device material restrictions. In this study, we have successfully demonstrated droplet formation of five common organic solvents frequently used in chemical synthesis by using a simple silicon/glass-based microfluidic device. When an immiscible liquid with surfactant was used as the continuous phase, the organic solvent formed droplets similar to water-in-oil droplets in the device. In contrast to conventional microfluidic devices composed of resins, which are susceptible to swelling in organic solvents, the developed microfluidic device did not undergo swelling owing to the high chemical resistance of the constituent materials. Therefore, the device has potential applications for various chemical reactions involving organic solvents. Furthermore, this droplet generation device enabled control of droplet size by adjusting the liquid flow rate. The droplet generation method proposed in this work will contribute to the study of organic reactions in microdroplets and will be useful for evaluating scaling effects in various chemical reactions.
Quantum Chemical Study Aimed at Modeling Efficient Aza-BODIPY NIR Dyes: Molecular and Electronic Structure, Absorption, and Emission Spectra
Authors: Pogonin Alexander E. , Shagurin Artyom Y. , Savenkova Maria A. , Telegin Felix Yu. , Marfin Yuriy S. , Vashurin Arthur S.
Published: November 2020

A comprehensive study of the molecular structure of aza-BODIPY and its derivatives, obtained by introduction of one or more substituents, was carried out. We considered the changes in the characteristics of the electronic and geometric structure of the unsubstituted aza-BODIPY introducing the following substituents into the dipyrrin core; phenyl, 2-thiophenyl, 2-furanyl, 3-pyridinyl, 4-pyridinyl, 2-pyridinyl, and ethyl groups. The ground-state geometries of the unsubstituted Aza-BODIPY and 27 derivatives were computed at the PBE/6-31G(d) and CAM-B3LYP/6-31+G(d,p) levels of theory. The time-dependent density-functional theory (TDDFT) together with FC vibronic couplings was used to investigate their absorption and emission spectra.
Functionality of Cricket and Mealworm Hydrolysates Generated after Pretreatment of Meals with High Hydrostatic Pressures
Authors: Dion-Poulin Alexandra , Laroche Myriam , Doyen Alain , Turgeon Sylvie L.
Published: November 2020

The low consumer acceptance to entomophagy in Western society remains the strongest barrier of this practice, despite these numerous advantages. More positively, it was demonstrated that the attractiveness of edible insects can be enhanced by the use of insect ingredients. Currently, insect ingredients are mainly used as filler agents due to their poor functional properties. Nevertheless, new research on insect ingredient functionalities is emerging to overcome these issues. Recently, high hydrostatic pressure processing has been used to improve the functional properties of proteins. The study described here evaluates the functional properties of two commercial insect meals (Gryllodes sigillatus and Tenebrio molitor) and their respective hydrolysates generated by Alcalase®, conventionally and after pressurization pretreatment of the insect meals. Regardless of the insect species and treatments, water binding capacity, foaming and gelation properties did not improve after enzymatic hydrolysis. The low emulsion properties after enzymatic hydrolysis were due to rapid instability of emulsion. The pretreatment of mealworm meal with pressurization probably induced protein denaturation and aggregation phenomena which lowered the degree of hydrolysis. As expected, enzymatic digestion (with and without pressurization) increased the solubility, reaching values close to 100%. The pretreatment of mealworm meal with pressure further improved its solubility compared to control hydrolysate, while pressurization pretreatment decreased the solubility of cricket meal. These results may be related to the impact of pressurization on protein structure and therefore to the generation of different peptide compositions and profiles. The oil binding capacity also improved after enzymatic hydrolysis, but further for pressure-treated mealworm hydrolysate. Despite the moderate effect of pretreatment by high hydrostatic pressures, insect protein hydrolysates demonstrated interesting functional properties which could potentially facilitate their use in the food industry.
Dewatering Green Sapwood Using Carbon Dioxide Undergoing Cyclical Phase Change between Supercritical Fluid and Gas
Authors: Franich Robert A. , Meder Roger , Behr Volker C.
Published: November 2020

Conventional kiln drying of wood operates by the evaporation of water at elevated temperature. In the initial stage of drying, mobile water in the wood cell lumen evaporates. More slowly, water bound in the wood cell walls evaporates, requiring the breaking of hydrogen bonds between water molecules and cellulose and hemicellulose polymers in the cell wall. An alternative for wood kiln drying is a patented process for green wood dewatering through the molecular interaction of supercritical carbon dioxide with water of wood cell sap. When the system pressure is reduced to below the critical point, phase change from supercritical fluid to gas occurs with a consequent large change in CO2 volume. This results in the efficient, rapid, mechanical expulsion of liquid sap from wood. The end-point of this cyclical phase-change process is wood dewatered to the cell wall fibre saturation point. This paper describes dewatering over a range of green wood specimen sizes, from laboratory physical chemistry studies to pilot-plant trials. Magnetic resonance imaging and nuclear magnetic resonance spectroscopy were applied to study the fundamental mechanisms of the process, which were contrasted with similar studies of conventional thermal wood drying. In conclusion, opportunities and impediments towards the commercialisation of the green wood dewatering process are discussed.
Dependence of Fluorescence Quenching of CY3 Oligonucleotide Conjugates on the Oxidation Potential of the Stacking Base Pair
Authors: Sobek Jens , Schlapbach Ralph
Published: November 2020

To understand the complex fluorescence properties of astraphloxin (CY3)-labelled oligonucleotides, it is necessary to take into account the redox properties of the nucleobases. In oligonucleotide hybrids, we observed a dependence of the fluorescence intensity on the oxidation potential of the neighbouring base pair. For the series I < A < G < 8-oxoG, the extent of fluorescence quenching follows the trend of decreasing oxidation potentials. In a series of 7 nt hybrids, stacking interactions of CY3 with perfect match and mismatch base pairs were found to stabilise the hybrid by 7–8 kJ/mol. The fluorescence measurements can be explained by complex formation resulting in fluorescence quenching that prevails over the steric effect of a reduced excited state trans-cis isomerisation, which was expected to increase the fluorescence efficiency of the dye when stacking to a base pair. This can be explained by the fact that, in a double strand, base pairing and stacking cause a dramatic change in the oxidation potential of the nucleobases. In single-molecule fluorescence measurements, the oxidation of G to 8-oxoG was observed as a result of photoinduced electron transfer and subsequent chemical reactions. Our results demonstrate that covalently linked CY3 is a potent oxidant towards dsDNA. Sulfonated derivatives should be used instead.
Diels–Alder Cycloaddition to the Bay Region of Perylene and Its Derivatives as an Attractive Strategy for PAH Core Expansion: Theoretical and Practical Aspects
Authors: Kurpanik Aneta , Matussek Marek , Lodowski Piotr , Szafraniec-Gorol Grażyna , Krompiec Michał , Krompiec Stanisław
Published: November 2020

PAHs (polycyclic aromatics hydrocarbons), the compound group that contains perylene and its derivatives, including functionalized ones, have attracted a great deal of interest in many fields of science and modern technology. This review presents all of the research devoted to modifications of PAHs that are realized via the Diels–Alder (DA) cycloaddition of various dienophiles to the bay regions of PAHs, leading to the π-extension of the starting molecule. This type of annulative π-extension (APEX) strategy has emerged as a powerful and efficient synthetic method for the construction of polycyclic aromatic hydrocarbons and their functionalized derivatives, nanographenes, and π-extended fused heteroarenes. Then, [4 + 2] cycloadditions of ethylenic dienophiles, -N=N-, i.e., diazo-dienophiles and acetylenic dienophiles, are presented. This subject is discussed from the organic synthesis point of view but supported by theoretical calculations. The possible applications of DA cycloaddition to PAH bay regions in various science and technology areas, and the prospects for the development of this synthetic method, are also discussed.
Anisotropic Characterizations of Electrospun PAN Nanofiber Mats Using Design of Experiments
Authors: Isaac Blesson , Taylor Robert M. , Reifsnider Kenneth
Published: November 2020

This paper deals with the dielectric and mechanical characterizations of polyacrylonitrile (PAN)-aligned electrospun nanofiber mats. A two factor three level full factorial experiment is conducted to understand the effect of various parameters on dielectric and mechanical responses. These responses are recorded against randomly oriented and aligned nanofiber mats. Improved properties of electrospun mats have applications in the field of energy storage and nanocomposite reinforcement. Dielectric and mechanical characterizations of PAN mats are vital, as the aligned electrospun mats were found to be useful in advanced energy and mechanical reinforcement applications. Therefore, it is paramount to understand the effects of system parameters to these properties. The design of experiment (DoE) includes two factors and three level full factorial experiments with concentrations of PAN solutions at 8 wt.%, 9 wt.%, and 10 wt.%, and speed of the rotating mandrel (collector) at 3 volt (V), 4 V, and 5 V inputs. The electric field intensity used in the experiment is 1 kV/cm. DoE is conducted to understand the nonlinear interactions of parameters to these responses. The dielectric and mechanical characterizations of 8 wt.%, 9 wt.%, and 10 wt.% with different speeds for the original and improved systems are discussed. It was observed that at 9 wt.% and at all mandrel speeds, the dielectric and tensile properties are optimum.
CO2 Adsorption in Metal-Organic Framework Mg-MOF-74: Effects of Inter-Crystalline Space
Authors: Gautam Siddharth , Cole David
Published: November 2020

Metal-Organic Frameworks (MOF) have been identified as highly efficient nanoporous adsorbents for CO2 storage. In particular, Mg-MOF-74 has been shown to promise exceptionally high CO2 sorption. Although several studies have reported adsorption isotherms of CO2 in Mg-MOF-74, the effect of inter-crystalline spacing in Mg-MOF-74 on the sorption of CO2 has not been addressed. These effects have been shown to be profound for a quadrupolar molecule like CO2 in the case of silicalite (Phys. Chem. Chem. Phys. 22 (2020) 13951). Here, we report the effects of inter-crystalline spacing on the adsorption of CO2 in Mg-MOF-74, studied using grand canonical Monte Carlo (GCMC) simulations. The inter-crystalline spacing is found to enhance adsorption at the crystallite surfaces. Larger inter-crystalline spacing up to twice the kinetic diameter of CO2 results in higher adsorption and larger crystallite sizes suppress adsorption. Magnitudes of the inter-crystalline space relative to the kinetic diameter of the adsorbed fluid and the surface to volume ratio of the adsorbent crystallites are found to be important factors determining the adsorption amounts. The results of this study suggest that the ideal Mg-MOF-74 sample for CO2 storage applications should have smaller crystallites separated from each other with an inter-crystalline space of approximately twice the kinetic diameter of CO2.
Bio-Applications of Multifunctional Melanin Nanoparticles: From Nanomedicine to Nanocosmetics
Authors: Mavridi-Printezi Alexandra , Guernelli Moreno , Menichetti Arianna , Montalti Marco
Published: November 2020

Bioinspired nanomaterials are ideal components for nanomedicine, by virtue of their expected biocompatibility or even complete lack of toxicity. Natural and artificial melanin-based nanoparticles (MNP), including polydopamine nanoparticles (PDA NP), excel for their extraordinary combination of additional optical, electronic, chemical, photophysical, and photochemical properties. Thanks to these features, melanin plays an important multifunctional role in the design of new platforms for nanomedicine where this material works not only as a mechanical support or scaffold, but as an active component for imaging, even multimodal, and simple or synergistic therapy. The number of examples of bio-applications of MNP increased dramatically in the last decade. Here, we review the most recent ones, focusing on the multiplicity of functions that melanin performs in theranostics platforms with increasing complexity. For the sake of clarity, we start analyzing briefly the main properties of melanin and its derivative as well as main natural sources and synthetic methods, moving to imaging application from mono-modal (fluorescence, photoacoustic, and magnetic resonance) to multi-modal, and then to mono-therapy (drug delivery, anti-oxidant, photothermal, and photodynamic), and finally to theranostics and synergistic therapies, including gene- and immuno- in combination to photothermal and photodynamic. Nanomedicine aims not only at the treatment of diseases, but also to their prevention, and melanin in nature performs a protective action, in the form of nanopigment, against UV-Vis radiations and oxidants. With these functions being at the border between nanomedicine and cosmetics nanotechnology, recently examples of applications of artificial MNP in cosmetics are increasing, paving the road to the birth of the new science of nanocosmetics. In the last part of this review, we summarize and discuss these important recent results that establish evidence of the interconnection between nanomedicine and cosmetics nanotechnology.
Dietary Intervention Modulates the Expression of Splicing Machinery in Cardiovascular Patients at High Risk of Type 2 Diabetes Development: From the CORDIOPREV Study
Authors: del Río-Moreno Mercedes , Luque Raúl M. , Rangel-Zúñiga Oriol A. , Alors-Pérez Emilia , Alcalá-Diaz Juan F. , Roncero-Ramos Irene , Camargo Antonio , Gahete Manuel D. , López-Miranda José , Castaño Justo P.
Published: November 2020

Type-2 diabetes mellitus (T2DM) has become a major health problem worldwide. T2DM risk can be reduced with healthy dietary interventions, but the precise molecular underpinnings behind this association are still incompletely understood. We recently discovered that the expression profile of the splicing machinery is associated with the risk of T2DM development. Thus, the aim of this work was to evaluate the influence of 3-year dietary intervention in the expression pattern of the splicing machinery components in peripheral blood mononuclear cells (PBMCs) from patients within the CORDIOPREV study. Expression of splicing machinery components was determined in PBMCs, at baseline and after 3 years of follow-up, from all patients who developed T2DM (Incident-T2DM, n = 107) and 108 randomly selected non-T2DM subjects, who were randomly enrolled in two healthy dietary patterns (Mediterranean or low-fat diets). Dietary intervention modulated the expression of key splicing machinery components (i.e., up-regulation of SPFQ/RMB45/RNU6, etc., down-regulation of RNU2/SRSF6) after three years, independently of the type of healthy diet. Some of these changes (SPFQ/RMB45/SRSF6) were associated with key clinical features and were differentially induced in Incident-T2DM patients and non-T2DM subjects. This study reveals that splicing machinery can be modulated by long-term dietary intervention, and could become a valuable tool to screen the progression of T2DM.
Fructose, Omega 3 Fatty Acids, and Vitamin E: Involvement in Pediatric Non-Alcoholic Fatty Liver Disease
Authors: Alberti Gigliola , Gana Juan Cristóbal , Santos José L.
Published: November 2020

Non-alcoholic fatty liver disease (NAFLD) is currently the most common form of liver disease in both adults and children, becoming the leading cause for liver transplant in many countries. Its prevalence has increased considerably in recent years, mainly due to the explosive increase in pediatric obesity rates. NAFLD is strongly associated with central obesity, diabetes, dyslipidemia and insulin resistance, and it has been considered as the hepatic manifestation of the metabolic syndrome. Its complex pathophysiology involves a series of metabolic, inflammatory and oxidative stress processes, among others. Given the sharp increase in the prevalence of NAFLD and the lack of an appropriate pharmacological approach, it is crucial to consider the prevention/management of the disease based on lifestyle modifications such as the adoption of a healthy nutrition pattern. Herein, we review the literature and discuss the role of three key nutrients involved in pediatric NAFLD: fructose and its participation in metabolism, Omega-3 fatty acids and its anti-inflammatory effects and vitamin E and its action on oxidative stress.