Three-dimensional (3D) printing techniques have received considerable focus in the area of bone engineering due to its precise control in the fabrication of complex structures with customizable shapes, internal and external architectures, mechanical strength, and bioactivity. In this study, we design a new composition biomaterial consisting of polylactic acid (PLA), and halloysite nanotubes (HNTs) loaded with zinc nanoparticles (PLA+H+Zn). The hydrophobic surface of the 3D printed scaffold was coated with two layers of fetal bovine serum (FBS) on the sides and one layer of NaOH in the middle. Additionally, a layer of gentamicin was coated on the outermost layer against bacterial infection. Scaffolds were cultured in standard cell culture medium without the addition of osteogenic medium. This surface modification strategy improved material hydrophilicity and enhanced cell adhesion. Pre-osteoblasts cultured on these scaffolds differentiated into osteoblasts and proceeded to produce a type I collagen matrix and subsequent calcium deposition. 3D printed scaffolds formed from this composition possessed high mechanical strength and showed an osteoinductive potential. Furthermore, the external coating of antibiotics not only preserved the previous osteogenic properties of the 3D scaffold but also significantly reduced bacterial growth. Our surface modification model enabled the fabrication of a material surface that was hydrophilic and antibacterial, simultaneously, with an osteogenic property. The designed PLA+H+Zn may be a viable candidate for the fabrication of customized bone implants.

There is an increasing interest in applying environmentally-friendly materials in wood protection technology. This include the use of less toxic active ingredients, as well as better fixation. This study investigates the formulation based on the combination of copper and Saqez resin on the physical and biological resistance properties of poplar wood. Samples were treated by either copper-ethanolamine (Cu/MEA) and/or Saqez resin at various treatment levels. A vacuum pressure procedure was applied. The retention, weight percent gain, water absorption, volumetric swelling, and decay resistance of the samples were then determined. The highest retention and weight percent gain were obtained at the samples treated with the combination of copper-based system and Saqez resin. Additionally, the combination of the copper and Saqez improved the physical properties and decay-resistance against white-rot fungus Trametes versicolor.

Today, the entire globe is struggling to deal with the greatest pandemic of the century, COVID-19. With no clinically approved treatments available, we are left with no options other than following the preventive measures issued by the World Health Organization (WHO). Among many others, hand washing with soap and water has been emphasized the most because it is cost-effective and easily accessible to the general public. Various studies have reported that soaps offer unique chemical properties that can disinfect the virus as a whole. However, there is still ambiguity in the general public about whether soaps can really shield us from this highly contagious disease. In an attempt to help eliminate the ambiguity, we analyzed the mechanisms underlying the efficacy of soap and its prospect for preventing the spread of COVID-19. In this paper, we provide an overview of the history and characteristics of SARS-CoV-2 (COVID-19), the detailed mechanisms of the deactivation of viruses by soaps, and the potential effectiveness of soap in eliminating coronaviruses including SARS-CoV-2.

This work attempted to fabricate superhydrophobic fabric via simple immersion technique. Textile fabrics were coated with silica nanoparticles prepared from tetraethoxysilane (TEOS) to obtain sufficient roughness with hydrophobic surface chemistry. Then the coated fabrics were treated with polydimethylsiloxane (PDMS) and aminopropyltriethoxysilane (APTES) to reduce the surface energy. The effects of PDMS concentration on the surface morphology and superhydrophobicity of as-prepared fabric were investigated. The morphology and the composition of superhydrophobic fabric was characterized by scanning electron microscopy (SEM), energy dispersive X-ray (EDS) and Fourier transform infrared (FTIR) spectroscopy. The results revealed the formation of spherical silica nanoparticles with average particle size of 250 nm throughout the fabric surface. The possible interactions between silica nanoparticles and APTES, as well as the fabrics were elucidated. Investigating the hydrophobicity of fabrics via water contact angle (WCA) measurement showed that the treated fabric exhibits excellent water repellency with a water contact angle as high as 151° and a very low water sliding angle. It also found that the treated fabric maintained most of its hydrophobicity against repeated washing. The comfort properties of the obtained superhydrophobic fabrics in term of air permeability and bending length did not reveal any significant changes.

In this study, fig leaves, zeolite and alginate were used to prepare a biocomposite for the adsorption of Pb(II) ions from aqueous solutions. Effects of various parameters on the biosorption process such as pH, temperature, initial lead concentration and contact time have been investigated. Maximum uptake of Pb(II) ions (85%) has been achieved at pH 6, with 25 mg/L of initial concentration and at a temperature of 288.15 K. Among the applied models, the data correlated well with Freundlich and D-R models and it was established that the biosorption was physical in nature. The amount of adsorbed lead per gram of sorbent was found to be 150.3 mg/g. Thermodynamic parameters showed the exothermic heat of biosorption and the feasibility of the process. Results have suggested that the prepared biosorbent possesses promising biosorption potential.

Calcium carbonate cements have been synthesized by mixing amorphous calcium carbonate and vaterite powders with water to form a cement paste and study how mechanical strength is created during the setting reaction. In-situ XRD was used to monitor the transformation of ACC and vaterite phases into calcite and a rotational rheometer was used to monitor the strength evolution. There are two characteristic time scales of the strengthening of the cement paste. The short timescale of the order 1 hour is controlled by smoothening of the vaterite grains, allowing closer and therefore adhesive contacts between the grains. The long timescale of the order 10-50 hours is controlled by the phase transformation of vaterite into calcite. This transformation is, unlike in previous studies using stirred reactors, found to be mainly controlled by diffusion in the liquid phase. The evolution of shear strength with solid volume fraction is best explained by a fractal model of the paste structure.

The meshless Petrov-Galerkin (MLPG) method is developed to analyse 2-D problems for flexoelectricity and thermoelectricity. Both problems are multiphysical and scale dependent. The size-effect is considered by the strain- and electric field-gradients in the flexoelecricity and higher-grade heat flux in the thermoelectricity. The variational principle is applied to de-rive the governing equations considered constitutive equations. The order of derivatives in governing equations is higher than in equations obtained from classical theory. The coupled governing partial differential equations (PDE) are satisfied in a local weak-form on small fic-titious subdomains with a simple test function. Physical fields are approximated by the mov-ing least-squares (MLS) scheme. Applying the spatial approximations in local integral equa-tions a system of algebraic is obtained for the nodal unknowns.

This study on the production of a modern natural water electrochemical antimony (II) test include the use of platinum platinum electrode electrodes. Antimony (II) was pre-concentrated on the modified electrode surface and adsorbed to the surface, oxidizing at E = -680 mV. Compared to the platinum electrode, the platinum nanoelectrode exhibited superior performance and, unexpectedly, received a higher electrochemical response. After 25 min of accumulation, time the best-defined anodic peak was obtained with 0.2 mol L^-1 KNO₃ pH 5.0. Using these parameters, the L^-1 Sb ^{2 +} calibration plot was linear over range 1 = 10⁻⁸ to 5x10⁻⁶ mol. The precision was tested by carrying out eight replicate measurements at a concentration of 2.5x10⁻⁵ mol. L^-1; the variance coefficient was 2.9%. The method was applied to analyte determination in water samples from the river. Other metal ion attack on Sb's (II) voltammetric response has been studied. In the SEM image, the nanoparticle electrode was clearly observed and characterized by X-ray diffraction and cyclic voltammetry

The outbreak of coronavirus 2 (SARS-CoV-2) has already taken on pandemic proportions and has affected more than 100 countries in recent weeks. It is imperative that global healthcare systems are prepared. Containment initiatives in Jordan, on the other hand, have decreased new cases by over 63%. The Jordanian national health system has been very pleased with its ability to adequately meet the needs of the patients diagnosed with SARS-CoV-2 pneumonia, and includes intensive care. From 2 March to 14 April 2020, between 4% and 8% of active infected patients in Jordan registered daily in intensive care. The percentage is very low.

The copper deposition on the platinum and palladium nanoelectrode has been studied using cyclic voltammetry. The use of nanoelectrode platinum and palladium are defined in the study of heavy metals. The noble nanoelectrode of metal has a typical silicone processing structure. In comparison to the nanoelectrodes, the geometry of the electrode series is complex and balanced. Nanoelectrodes of platinum are found effective in detecting heavy metal. There was regular analysis of the use of the sensors. The identification constraints down to the ng /L level was accomplished by refined electrode geometry and the stripping procedures. The process was used for the study of water sample determination. Another heavy metal ion attack voltammetric reaction was studied. The SEM picture clearly observed and characterized the nanoparticle electrode by X-ray diffraction and cyclic voltammetry.

Dynamic thermogravimetric (TG) analysis under nitrogen environment was used to understand the thermal decomposition process of 3D printing filaments made of wood-filled polylactic acid (PLA)/starch blend. The characteristic temperatures and apparent activation energy (AAE) of the filaments with various starch contents were calculated with well-known kinetic models by Friedman, Flynn-Wall-Ozawa, Coats-Redfern and Kissinger. With the increased starch content in the filament, the onset thermal decomposition temperatures of the filaments decreased gradually from 272.4 to 155.1°C. The thermal degradation degree became smaller, and the transitional temperature interval became larger with increased starch proportion. The AAE values of the three types of filaments with different starch ratios varied between 97 kJ/mol and 114 kJ/mol, depending on material composition and method of calculation. The improved understanding of thermal decomposition behavior of PLA-starch-wood composites can help develop more biodegradable PLA/starch-based filaments for 3D printing.

This study was aimed at investigating the protective effects of glass ionomer cement (GIC) and surface pre-reacted glass ionomer (S-PRG) fillers used as dental restorative materials on demineralization of bovine enamel. GlasIonomer FX ULTRA (FXU), Fuji IX GP Extra (FIXE), CAREDYNE RESTORE (CDR) were used as GICs. PRG Barrier Coat (BC) was used as the S-PRG filler. They were incubated in a lactic acid solution (pH = 4.0) for 6 d at a temperature of 37 °C. The mineral was etched from the enamel surface, and a large number of Ca and P ions were detected in solution. The Al, F, Na, Sr, and Sr ions were released in GICs and S-RPG fillers. The Zn ion was released only in CDR and the B ion was released only in BC. The presence of apparent enamel prism peripheries was observed after 6 d of treatment for the group containing only enamel blocks. pH values for the FXU, FIXE, CDR, BC, and enamel block groups after 6 d were 6.5, 6.6, 6.7, 5.9, and 5.1, respectively. Therefore, the observed pH neutralization effect suppressed progression of caries due to the release of several ions from the restoratives.

We fabricate paper-supported semiconducting devices by rubbing a layered molybdenum disulfide (MoS₂) crystal onto a piece of paper, similarly to the action of drawing/writing with a pencil on paper. We show that the abrasion between the MoS₂ crystal and the paper substrate efficiently exfoliates the crystals, breaking the weak van der Waals interlayer bonds and leading to the deposition of a film of interconnected MoS₂ platelets. Employing this simple method, that can be easily extended to other 2D materials, we fabricate MoS₂-on-paper broadband photodectectors with spectral sensitivity from the ultraviolet (UV) to the near-infrared (NIR). We also used these paper-based photodetectors to acquire pictures of objects by mounting the photodetectors in a homebuilt single-pixel camera setup.

Exogenous RNA comprises the genetic material associated with several diseases which require immediate treatment, and thus mechanisms to hinder intracellular translation and reproduction of RNA viral agents are of great importance. Applying recent developments from this lab in methods relating to the interaction of DNA with steroid hormones, cyclic compounds are presented for intermolecular binding to nucleic acids. The requirements to achieve binding with RNA nucleotide pairs are described, which involve at a minimum functional elements positioned to interact with the lateral phosphate groups for each of the RNA strands through coupling with a positively charged ion, such as Mg2+, Ca2+, or Zn2+ ions; and an intermolecular hydrogen bond with the oxygen element of uracil at the carbon two location. Additional features of the binding molecules are examined for enhancements and differentiation in binding capability and include aromatic groups that have both a structural role of steric hindrance and a functional role to stabilize the binding mechanisms. Several categories of cyclic compounds are associated to have specific binding capabilities, and the interaction of these structures with potential receptor molecules are evaluated for assessment in delivery and binding of the compound to nucleic acids.

This study provides designs for a low-cost, easily replicable open source lab-grade digital scale that can be used as a precision balance. The design is such that it can be manufactured for use in most labs throughout the world with open source RepRap-class material extrusion-based 3-D printers for the mechanical components and readily available open source electronics including the Arduino Nano. Several versions of the design were fabricated and tested for precision and accuracy for a range of load cells. The results showed the open source scale was found to be repeatable within 0.1g with multiple load cells, with even better precision (0.01g) depending on load cell range and style. The scale tracks linearly with proprietary lab-grade scales, meeting the performance specified in the load cell data sheets, indicating that it is accurate across the range of the load cell installed. The smallest loadcell tested(100g) offers precision on the order of a commercial digital mass balance. The scale can be produced at significant cost savings compared to scales of comparable range and precision when serial capability is present. The cost savings increase significantly as the range of the scale increases and are particularly well-suited for resource-constrained medical and scientific facilities.

Acetyleugenol is a phytochemical compound with broad effect against infectious diseases and tumors. Here, we extracted, characterized and elucidated the structure of acetyeugenol, for the first time, from the leaves of Acacia nilotica (L.)―a well-known medicinal plant. The broad antibacterial potential of acetyleugenol was first confirmed against seven bacterial pathogenic isolates with best activity against Proteus sp., Salmonella typhi, Staphylococcu aureus, and Streptococcus pneumonia, which showed similar or better zone of inhibition to that of the control amoxicillin. To further investigate its effect against Mycobacterium tuberculosis, acetyleugenol and its indole and phenyl analogs were subjected to molecular docking experiments against two potential tuberculosis drug targets―MtPknE and MtPknB Ser/Thr protein kinases. The results reveal that all of the analogs have improved docking scores comparing to the acetyleugenol. The indole analogs EUG-1 and EUG-3 were more effective with better docking scores for MtPknE with –11.08 and –10.05 kcal/mol, respectively. Similar results were obtained for the MtPknB. In contrast, only the EUG-2 phenyl analog has given rise to similar docking scores for both targets. This opens the door for further comprehensive studies on these acetyleugenol analogs with in vitro and in vivo experiments to validate and get more insights into their mechanisms of action.

Bulk metallic glass matrix composites have emerged as competent structural material of future bearing potential structural applications. However, the optimum percentage of crystallinity required to produce enough toughness that it can serve as structural component is still a matter of debate. In this study, an effort is made to address this problem by inoculation. A controlled amount of carefully selected inoculant is introduced in Zr_47.5Cu_45.5Al₅Co₂ bulk metallic glass matrix composite during melting and solidification. Its effect in promoting crystallinity is checked by detailed electron back scatter diffraction (EBSD) mapping. Proper pattern capture, background correction, binning, Hough space transformation, step size selection, indexing and matching with well-defined crystal structure files have shown to reflect upon map quality. This shows and bears direct relation with effect of inoculation. Results from two independent laboratories are reported. Inoculation treatment is shown to be advantageous.

In the present work, the state of the art of the most common additive manufacturing (AM) technologies used for the manufacturing of complex shape structures of graphene-based ceramic nanocomposites, ceramic and graphene-based parts is explained. A brief overview of the AM processes for ceramic, which are grouped by the type of feedstock used in each technology, is presented. The main technical factors that affect the quality of the final product were reviewed. The AM processes used for 3D printing of graphene-based materials are described in more detail; moreover, some studies in a wide range of applications related to these AM techniques are cited. Furthermore, different feedstock formulations and their corresponding rheological behaviour were explained. Additionally, the most important works about the fabrication of composites using graphene-based ceramic pastes by Direct Ink Writing (DIW) are disclosed in detail and illustrated with representative examples. Various examples of the most relevant approaches for the manufacturing of graphene-based ceramic nanocomposites by DIW are provided.

Background: Nowadays investigations in the field of dental implants engineering are focused on bioactivity and osseointegration properties.Objective: In this study, the oxide-covered titanium was functionalized by vitamin D3 molecules via a simple self-assembly method with the aim to design more corrosion resistant and at the same time more bioactive surface.Methods: Surface properties of the D3-coated titanium were examined by scanning electron microscopy, attenuated total reflectance Fourier transform infrared spectroscopy, and contact angle measurements, while a long-term corrosion stability during immersion in an artificial saliva solution was investigated in situ by electrochemical impedance spectroscopy.Results: Results of all techniques confirmed a successful formation of the D3 vitamin layer on the oxide-covered titanium. Besides very good corrosion resistivity (~5 MΩcm² ) the D3-modified titanium surface induced spontaneous formation of biocompatible bone-like calcium phosphates (CaP).Conclusion: Observed in vitro CaP-forming ability as a result of D3-modified titanium/artificial saliva interactions could serve as a promising predictor of in vivo bioactivity of implant materials.

The global pandemic caused by the new SARS-COV-2 coronavirus makes it necessary to search for drugs for its control. Within of this research it has been known that the ivermectin drug, a FDA-approved drugs which is formulated as an 80:20 mixture of ivermectin B1a and B1b and used commonly for parasitic infections, has an inhibitory effect on viruses, includes SARS-COV-2 at in vitro level. In the particular case of SARS-COV-2 its mechanism of action remains elusive and controversial. Interestingly, the energy of interaction of ivermectin with any of the proteins the SARS-CoV-2 and the possible structural alterations at the protein level that this drug can cause have not been reported. In this sense, we carried out a bioinformatics study with docking strategies and molecular dynamics to predict the binding and disturbance induced by ivermectin in proteins associated with SARS-CoV-2. We use DockThor and Molegro docking scores. The DockThor server and myPresto software were used to build complexes and dynamics studies, respectively. The results obtained suggested that ivermectin is capable of docking with the 3CL protease and the HR2 domain, and may promote structural changes in these proteins by inducing unfolding/folding. Specifically, ivermectin brings protease to a significantly more deployed conformational state and the HR2 domain to a more compact state compared to the native state. Finally, it is shown that B1a and B1b macrocyclic lactones have a behavior different from to each target protein. These results suggest a possible inhibitory effect against SARS-CoV-2 due to a synergistic role of this drug to spontaneously bind to two important proteins involve in the proliferation of this virus. However, more studies are required on this possible mechanism of action.

Almond (Prunus dulcis (Mill.) D.A.Webb) is one of the most important nut crops both in terms of area and production. Over the last decades, an important part of the beneficial actions for health associated with their consumption was attributed to the phenolic compounds, mainly accumulated in almond skin. Interestingly, after cold-pressed oil extraction, most of these antioxidant phenolic compounds are retained in a skin-enriched by-product, so-called almond cold-pressed oil residue. In Morocco, ranked fifth producer in the world, this production generates an important part of this valuable byproduct. In the present study, using a multivariate Box-Behnken design, an ultrasound-assisted extraction (USAE) method of phenolic compounds from Moroccan almond cold-pressed oil residue was developed and validated. Response surface methodology resulted in the optimal extraction conditions: the use of aqueous EtOH 53.0% (v/v) as green solvent, applying an US frequency of 27.0 kHz for an extraction duration of 29.4 min. The present USAE allowed substantial gains in terms of extraction efficiency compared to conventional heat reflux extraction. Applied to 3 different local Beldi genotypes growing at 3 different experimental sites, the optimal USAE conditions led to a total phenolic content of 13.86 mg/g dry weight (DW). HPLC analysis revealed that the main phenolic compounds from this valuable byproduct were: chlorogenic acid followed by protocatechuic acid, p-hydrobenzoic acid and p-coumaric acid. The accumulation of these phenolic compounds appeared to be more dependent on the genetic background than on the environmental impact here represented by the 3 experimental culture sites. Both in vitro cell free and cellular antioxidant assays were performed, and revealed the great potential of these extracts. In particular, correlation analysis evidenced the prominent roles of chlorogenic acid, protocatechuic acid and p-hydrobenzoic acid. To summarize, the USAE method presented here is a quick, green, simple and efficient validated USAE for the possible valorization of antioxidant phenolic compounds from Moroccan almond cold-Pressed oil residues, making it possible to generate extracts with attractive antioxidant activities for future nutraceutical and/or cosmetic applications.

We fabricate large-area atomically thin MoS₂ layers through the direct transformation of crystalline molybdenum trioxide (MoO₃) by sulfurization at relatively low temperatures. The obtained MoS₂ sheets are polycrystalline (~10-20 nm single-crystal domain size) with areas of up to 300×300 µm² with 2-4 layers in thickness and show a marked p-type behaviour. The synthesized films are characterized by a combination of complementary techniques: Raman spectroscopy, X-ray diffraction, transmission electron microscopy and electronic transport measurements.

Italian, Spanish, French vs German, Austrian or Norwegian COVID-19 tracks? Antibiotics might have a partial impact on COVID-19 death rates in various countries. Our working hypotheses based on recent publications is that that antibiotics may be a major factor that negatively affects patients’ immune system during viral infections. We are all aware that there is no specific and effective medical treatment for COVID-19 so far. However, we know that our immune system is the only efficient weapon that fights against this syndrome right now. In fact, antibiotics are very often prescribed to prevent secondary infections following an antiviral immune response. Various antibiotic therapies have also been commonly applied to support COVID-19 treatments in China and Italy. Unfortunately, the frequent antibiotic off-site targets include mitochondria that are genetically and evolutionary closely linked to bacteria. Mitochondria are multifunctional organelles responsible for bioenergetics in nearly all our cells, acting as signaling hubs in antiviral and antibacterial immune responses. Several studies have demonstrated that mitochondria are vulnerable to antibacterial treatments, interrupting their physiology. Inhibition of these processes by antibiotics might render the immune system less capable of fighting acute COVID-19 viral infections. Some antibiotics, including those prescribed for COVID-19 in Wuhan, have been shown to inhibit the synthesis of mitochondrial DNA. The question is whether antibiotics support such a treatment or weaken patient immune responses in this case. This hypothesis should be evaluated based on comparative clinical data that seem to be unavailable at the moment. Possibly the COVID-19 risk group should be extended to all patients being treated with antibiotics, including those who finished antibiotic therapies days up to several months before SARS-CoV-2 infection. We therefore urge health service response groups to evaluate the impact of antibiotics on COVID-19 recovery vs death retrospective data. We would like to motivate international, national and local health authorities to share available clinical treatment data, discuss and optimize treatment strategies.

The interest in dry EEG electrodes has increased in recent years and especially as everyday suitability earplugs for measuring drowsiness or focus of auditory attention. However, the challenge is still the need for a good electrode material, which is reliable and can be easily processed for highly personalized applications. Laser processing as used here is a fast and very precise method to produce personalized electrode configurations that meet the high requirements of in-ear EEG electrodes, for example. The arrangement of the electrodes on the very flexible and compressible mats allows an exact alignment of the electrodes to the ear mold and contributes to a high wearing comfort, as no edges or metal protrusions are present. For better transmission properties, an adapted coating process for surface enlargement of platinum electrodes is used, which allows easy control of the thickness and growth form of the porous layer. The porous platinum-copper alloy is chemically very stable, shows no exposed copper residues and enlarges the effective surface area by 40. In a proof-of-principle experiment, these porous platinum electrodes could be used to measure the Berger effect in a dry state using just one ear of a test person. Their signal-to-noise ration and frequency transfer function is comparable to gel-based silver/silver chloride electrodes.

In this study, differences in the kinetics of thermal-supported hydrolytic degradation of poly(lactic acid) (PLA) sample wet spinning fibres due to material variance in the initial molecular and supramolecular structure were analysed. The investigation was carried out at the microstructural and molecular levels by using readily available methods such as scanning electron microscopy, mass erosion measurement and estimation of intrinsic viscosity. The results show a varying degree of influence of the initial structure on the degradation rate of studied PLA fibres. The experiment shows that hydrolytic degradation at a temperature close to the cold crystallization temperature on a macroscopic level is definitely more rapid for the amorphous material, while on a molecular scale it is similar to a semi-crystalline material. Further, for the adopted degradation temperature of 90 °C, a marginal influence of pH of the degradation medium on the degradation kinetics was also demonstrated

Influence of particle size on the mechanical strength of alkali activated material from waste refractory monolithic was investigated in this study. Precursor was chemically and mineralogically analysed, separated on 4 fractions and alkali activated with Na-water glass. Alkali activated materials were thoroughly investigated under SEM and XRD to evaluate the not predicted differences in mechanical strength. Time dependence of curing temperature on mechanical strength was investigated in the sample prepared from a fraction that caused the highest compressive strength.

The interlaminar strength of mechanically interlocked polymer-metal-interfaces is strongly dependent on the surface structure of the metal component. Therefore, this contribution assesses the suitability of the fractal dimension for quantification of the surface structure as well as interlaminar strength prediction of aluminum/polyamide 6 polymer-metal-hybrids. Seven different surface structures, manufactured by blasting, combined blasting and etching, thermal spraying and laser ablation, are investigated. The experiments are carried out on a novel butt-bonded hollow cylinder testing method that allows shear and tensile strength determination with one specific specimen geometry. The fractal dimension of the metal surfaces is derived from cross-sectional images. For comparison, the surface roughness slope is determined and related to the interlaminar strength. Finally, a fracture analysis is conducted. For the investigated material combination, the experimental results indicate that the fractal dimension is an appropriate measure for predicting the interlaminar strength

The research hypothesis states that the impregnation of the honeycomb paper core of lightweight sandwich panels with modified starch, sodium silicate and LiquidWood® resin has a significant effect on the elastic properties of it. In the study, a recycled paper was used in three thicknesses, seven types of cell shapes, including two after numerical optimization and three types of impregnating agents. The method of digital image analysis determined the elastic constants of manufactured paper cores, which were subjected to axial compression in two directions. Based on the experimental results, elastic constants of the cores were calculated and compared with the results of numerical calculations. It has been shown that each of the impregnating solutions used improves the stiffness of the paper core. The best results were obtained for LiquidWood® epoxy resin and modified starch. An important parameter of cell geometry affecting their rigidity is the angle of the cell wall φ, as well as the arrangement of the common cell wall in relation to the direction of load. The numerical models developed were positively verified.

The fabrication and characterisation of photo-anodes based on black-Si (b-Si) are presented using a photo-electrochemical cell in NaOH solution. Black-Si was fabricated by maskless dry plasma etching and was conformally coated by tens-of-nm of TiO2 using atomic layer deposition (ALD) with a top layer of CoO_x cocatalyst deposited by pulsed laser deposition (PLD). Low reflectivity R < % of Black-Si over the entire visible and near-IR (λ < 2 µm) spectral range is favourable in better absorption of light while an increased surface area facilities larger current densities. Photoelectrochemical performance of the heterostructured photoanode is discussed in terms of n-n junction between b-Si and TiO₂.

Macromolecules with well-defined structures in terms of molar mass and monomer sequence became interesting building blocks for modern materials. The precision of the macromolecular structure makes fine-tuning of the properties of resulting materials possible. Conjugated macromolecules exhibit excellent optoelectronic properties that make them exceptional candidates for sensors construction. The importance of chain length and monomer sequence is particularly important in conjugated systems. The sequence lengths, monomer sequence and structural modification often influence the energy bang gap between HOMO and LUMO orbitals of the molecules that reflect in their properties. Moreover, the supramolecular aggregation that is often observed in oligo-conjugated systems is usually strongly affected by even minor structural changes that are used for sensor designs. This review summarizes the examples of well-defined conjugated macromolecules based on oligo(arylene ethynylene)s skeleton used for sensor applications. The sensing mechanisms and importance of uniformity of structure are discussed.

The study presents the effect of annealing process parameters on the microstructure, hardness and strain hardening coefficients i.e., the strength coefficient c and the strain hardening exponent n, of 42CrMo4 steel. Seven selected annealing time-temperature schemes are examined for superior steel formability in cold metal forming conditions. The c and n coefficients are first determined in experimental upsetting of annealed samples and then used in FEM simulations of the upsetting process. The results demonstrate that the strain hardening coefficients (c and n) depend on the employed annealing scheme. Compared to the as-received sample, the annealing process reduces the true stress and effectively decrease the hardness of 42CrMo4 steel, improves microstructural spheroidization and, consequently, facilitates deformability of this material. The annealing schemes relying on heating the material to 750 °C and its subsequent slow cooling lead to the highest decrease in hardness ranging from 162 to 168HV. Results obtained with the SEM-EDS, LOM and XRD methods lead to the conclusion that the employed heat treatment schemes cause the initial ferritic-pearlitic microstructure to develop granular and semi-lamellar precipitation of cementite enriched with Mo and Cr in the ferrite matrix. In addition, the annealing process affects the growth of α-Fe grains. The highest cold hardening rate, and thus formability, is obtained for the annealing scheme producing the lowest hardness. The results of FEM simulations are positively validated by experimental results. Obtained results are crucial for further numerical simulations and experimental research connected with developing new cold metal forming methods for producing parts made of 42CrMo4 steel.

Background: The main factors to influence on the stroking performance of club head are alloy and spring-like effect. Design the structure of new club face to create the fairway wood which can show best stroking feeling and let driving distance become longer. Purpose: The club face of fairway wood is processed through the iron alloy heating procedure and CNC to innovate the club head with high spring-like effect (characteristic time). Method: (1) Use 455 stainless steel processed by heating and aging treatment, to do the analysis on microstructure and mechanical properties. (2) Through CNC to design seven different patterns for the back of club face, each pattern for three club head. The total amount is twenty-one. (3) Make finished product be test the characteristic time and the ability of strike by the practical measurement. (4) To analyze after the compare between three-way ANOVA and LSD. Results: After 455 stainless steel was heated in procedure S850℃-A550℃, mechanical properties became superior and had the better malleability, it is suitable for developing the club face of high spring-like effect. Before and after grinding among three-way ANOVA (pattern*thickness*place), did not achieve the significant level on the figure of characteristic time. Through two-way ANOVA (pattern*place and thickness*place), showed the significant deviation before and after grinding. After doing the crash test by 45m/s, all the results can reach the higher limited standard. Summary: 455 stainless steel was designed with the different club face’s thicknesses of fairway wood can make spring-like effect achieve high characteristic time. The much thinner club face let the characteristic time perform highly. But there was no obvious effects from the patterns of the back club face.

We investigated the protective effects of glass ionomer cement (GIC) and surface pre-reacted glass ionomer (S-PRG) fillers used as dental restorative materials on the demineralization of bovine enamel during the incubation in a lactic acid solution with pH = 4.0 conducted for 6 d at a temperature of 37 °C. Scanning electron microscopy images of the specimen surfaces from the group containing only enamel blocks revealed the presence of apparent enamel prism peripheries after 6 d of treatment. The mineral was etched from the enamel surface, and a large number of Ca ions were detected in solution. In contrast, the enamel blocks incubated together with discs of GIC or S-PRG fillers did not exhibit demineralized surfaces, owing to the neutralization of the acid solution by the fillers within the first 3 h of the incubation process. The observed pH neutralization effect was attributed to the release of different ions from the fillers and could be utilized for suppressing the progression of caries.

Carbon dioxide (CO2), a major greenhouse gas, capture and separation has recently become a crucial technological solution to reduce atmospheric emissions from fossil fuel burning. Thereafter, many efforts have been put forwarded to reduce the burden on climate change by capturing and separating them especially from larger power plants by the utilization of different technologies. Those technologies have often suffered from high operating cost and huge energy consumption. On right side, physical process such as adsorption is very cost effective process which have been widely used to adsorb different contaminants including CO2. Henceforth, this review covers the overall efficacies of CO2 capture by the utilization of carbon based materials through adsorption technology. Subsequently, we also address the associated challenges and future opportunities of carbon based materials (CBMs). For CO2 capture, it was found that CBMs followed the order of carbon nanomaterials (i.e., graphene, graphene oxides, carbon nanotubes and their composites) < mesoporous -microporous or hierarchical porous carbons < biochar and activated biochar < activated carbons.

This paper presents a physical and mathematical model that has been developed in the framework of the approach used in the computational mechanics of materials. The model is designed to enable the study of the patterns of deformation and fracture of ceramic composites with a transformation-hardened matrix that are obtained by additive technologies at the mesoscopic and macroscopic levels under intense dynamic loading. The influence of the loading rate on the formation of the fracture and energy dissipation fronts for composite materials, based on the Al2O3 20%ZrO2 system, is shown. Nonlinear effects under intense dynamic loading in the considered composites are associated with the processes of self-organization of structural fragments at the mesoscopic level, as well as the occurrence of martensitic phase transformations in matrix volumes adjacent to the strengthening particles.

Aims: In late December 2019, early reports predicted the onset of a potential Coronavirus outbreak in china, given the estimate of a reproduction number for the 2019 Novel Coronavirus (COVID-19). Because of high ability of transmission and widespread prevalence, the mortality of COVID-19 infection is growing fast worldwide. Absent of an anti-COVID-19 has put scientists on the urge to repurpose already approved therapeutics or to find new active compounds against coronavirus. Here in this study, a set of computational approaches were performed in order to repurpose antivirals for dual inhibition of the frontier proteases involved in virus replication, papain-like protease (PLpro; corresponding to nsp3) and a main protease (Mpro), 3C‑like protease (3CLpro; corresponding to nsp5). Materials and Methods: In this regard, a rational virtual screening procedure including exhaustive docking techniques was performed for a database of 160 antiviral agents over 3CLpro and PLpro active sites of SARS-CoV-2. The compounds binding energies and interaction modes over 3CLpro and PLpro active sites were analyzed and ranked with the aid of free Gibbs binding energy. The most potent compounds, based on our filtering process, are then proposed as dual inhibitors of SARSC-CoV-2 proteases. Key findings: Accordingly, seven antiviral agents including two FDA approved (Nelfinavir, Valaganciclovir) and five investigational compounds (Merimepodib, Inarigivir, Remdesivir, Taribavirine and TAS106-106) are proposed as potential dual inhibitors of the enzymes necessary for RNA replication in which Remdesivir as well as Inagrivir have the highest binding affinity for both of the active sites. Significance: The mentioned drug proposed to inhibit both PLpro and 3CLpro enzymes with the aim of finding dual inhibitors of SARSC-CoV-2 proteases.

The spread of the global COVID-19 pandemic, the lack of specific treatment and the urgent situation requires use of all resources to remedy this scourge. In the present study, using molecular docking, we identify new probable inhibitors of COVID-19 by molecules from Nigella sativa L, which is highly reputed healing herb in North African societies and both Islamic and Christian traditions. The discovery of the M^pro protease structure in COVID-19 provides a great opportunity to identify potential drug candidates for treatment. Focusing on the main proteases in CoVs (3CL^pro/M^pro) (PDB ID 6LU7 and 2GTB); docking of compounds from Nigella Sativa and drugs under clinical test was performed using Molecular Operating Environment software (MOE). Nigelledine docked into 6LU7 active site gives energy complex about -6.29734373 Kcal/mol which is close to the energy score given by chloroquine (-6.2930522 Kcal/mol) and better than energy score given by hydroxychloroquine (-5.57386112 Kcal/mol) and favipiravir (-4.23310471 kcal/mol). Docking into 2GTB active site showed that α- Hederin gives energy score about-6.50204802 kcal/mol whcih is better energy score given by chloroquine (-6.20844936 kcal/mol), hydroxychloroquine (-5.51465893 kcal/mol)) and favipiravir (-4.12183571kcal/mol). Nigellidine and α- Hederin appeared to have the best potential to act as COVID-19 treatment. Further, researches are necessary to testify medicinal use of identified and to encourage preventive use of Nigella Sativa against coronavirus infection.

Around the World, the number of compound databases of natural products in the public domain is rising. This is in line with the increasing synergistic combination of natural product research and chemoinformatics. Towards this global endeavor, countries in Latin America are assembling, curating, and analyzing the contents and diversity of natural products available in their geographical regions. In this manuscript we collect and analyze the efforts that countries in Latin America have made so far to build natural product databases. We further encourage the scientific community in particular in Latin America, to continue their efforts to building quality natural product databases and, whenever possible, to make them publicly accessible. It is proposed that all compound collections could be assembled into a unified resource called LANaPD: Latin America Natural Products Database. Opportunities and challenges to build, distribute, and maintain LANaPD are also discussed

Polypropylene (PP) is commonly used in the polymer processing industry. Its feature is a good chemical resistance, it is non-toxic and not harmful to people. Polypropylene is widely used in the manufacturing of food packages, laboratory and medical equipment, electric cables insulators, automotive parts, toys and furniture. The application of this material enables us to obtain complicated shapes of big surfaces. It is also highly recyclable. Polylactide (PLA) is a product of the so called “green chemistry” because it is obtained from the renewable raw materials (biomass). As its price is higher compared to the traditional polymers, its repeated use (recycling) is of high interest. Due to the same reason (cost) the mixtures of PLA with other polymers are applied. In this paper the results of testing the PP/PLA mixtures of various mass ratio of the components are presented. Technical terms of preparing and processing such mixtures have been practically tested. Also the mechanical strength was determined based on the static tensile tests. The results showed that those mixtures can be repeatedly processed. Even five-times reprocessing does not cause essential drop of mechanical properties

Non steady applied magnetic field impact on a liquid metals has good prospects for industry. For a better understanding of heat and mass transfer processes under these circumstances, numerical simulations are needed. A combination of finite elements and volumes methods was used to calculate the flow and solidification of liquid metal under electromagnetic influence. Validation of numerical results was carried out by means of measuring with ultrasound Doppler velocimetry technique, as well as with neutron radiography snapshots of the position and shape of the solid/liquid interface. As a result of the first part of the work, a numerical model of electromagnetic stirring and solidification was developed and validated. This model could be an effective tool for analyzing the electromagnetic stirring during the solidification process. In the second part, the dependences of the velocity pulsation amplitude and the melt velocity maximum value on the magnetic field pulsation frequency are obtained. It was found numerically the ability of the pulsating force action to develop higher values of the liquid metal velocity at a frequency close to the MHD resonance. Obtained characteristics give a more detailed description of the electrically conductive liquid behaviour under action of pulsating traveling magnetic field.

This article discuss the effects of heat treatment and lubrication modes on the machinability of an A356 alloy (Al-Si-Mg); the alloy is studied as-received, with solution heat-treated alloy (SHT) as well as with an alloy that is solution heat-treated and then aged at 155, 180 and 220 °C. In the course of machinability evaluation, several criteria including cutting force, surface roughness, tool wears and burr analysis (chip) were studied. The results and analysis in this work indicated that the selected machinability criteria are important and necessary to effectively evaluate the machinability of A356 alloys. The machinability of both materials and tools were estimated in terms of cutting force, chip thickness ratio and burr formation, flank wear and roughness. The effects of different cutting parameters (cutting speed and feed rate) and lubrication modes (dry, mist and wet) on the machinability of the A356 cast alloy were also examined. The influence of heat treatments on the burr formation and surface quality was clearly revealed by the experimental results. Experimental work revealed that cutting forces were influenced significantly by aging and cutting speed. However, the different aging at 155, 180, and 220 °C and the cutting speed significantly affected the machinability of the A356 cast alloy. The results obtained show that a better drilling performance in terms of surface quality occurs at a high feed rate, with dry drilling and artificial aging at T6.

Constitutive models for plastic deformation of metals are typically based on flow rules determining the transition from elastic to plastic response of a material as function of the applied mechanical load. These flow rules are commonly formulated as a yield function, based on the equivalent stress and the yield strength of the material, and its derivatives. In this work, a novel mathematical formulation is developed that allows the efficient use of machine learning algorithms describing the elastic-plastic deformation of a solid under arbitrary mechanical loads and that can replace the standard yield functions with more flexible algorithms. By exploiting basic physical principles of elastic-plastic deformation, the dimensionality of the problem is reduced without loss of generality. The data-oriented approach inherently offers a great flexibility to handle different kinds of material anisotropy without the need for explicitly calculating a large number of model parameters. The applicability of this formulation in finite element analysis is demonstrated, and the results are compared to formulations based on Hill-like anisotropic plasticity as reference model. In future applications, the machine learning algorithm can be trained by hybrid experimental and numerical data, as for example obtained from fundamental micromechanical simulations based on crystal plasticity models. In this way, data-oriented constitutive modeling will also provide a new way to homogenize numerical results in a scale-bridging approach.

Conventional radiation therapy uses white X-rays that consist of a mixture of X-ray waves with various energy levels. In contrast, a monochromatic X-ray (monoenergetic X-ray) has a single energy level. Irradiation of high Z elements with a synchrotron generated monochromatic X-ray with the energy at or higher than the K-edge energy of the element results in the production of the Auger electrons that cause DNA damage leading to cell killing. Delivery of high Z elements into cancer cells and tumor mass can be facilitated by the use of nanoparticles. Mesoporous silica nanoparticles (MSNs) have been shown to be effective in delivering high Z elements to cancer cells. A proof of principle experiment was reported that demonstrated the feasibility of this approach. This opens up a possibility to pursue the Auger cancer therapy by the combined use of MSNs loaded with high Z elements and monochromatic X-rays. Similar cancer therapies using other types of quantum beams such as neutron, proton and carbon ion beams can be envisioned.

Prestrained at 5% and 15% duplex stainless steel UNS S32750 specimens have been subjected to electropulsing treatments with current density of 100 A/mm2 and 200 A/mm2 and 100 and 500 pulses for each current density value. Corrosion tests, X-ray diffraction, microhardness and residual stresses were collected before and after the electropulsing treatments. Tensile tests were performed after the electropulsing treatments in order to compare the mechanical response to the reference tensile tests performed before the pulsing treatments. Increase in fracture strain was observed after the pulsing treatment in comparison to the reference tensile tests. A decrease in microhardness was also observed after the electropulsing treatments for both degrees of prestrain. Electropulsing treatment almost eliminates the work-hardened state in the 5% prestrained specimens while partially recovered the 15% prestrained material increasing both uniform and fracture strain. The bulk temperature of the samples remained the same for all the duration of the treatments. The effect are to be addressed to a combined effect of the increase in atomic flux due to the electrical current and local joule heating in correspondence of crystal defects. Electropulsing treatment applied to metallic alloys is a promising technique to reduce the work hardening state without the need of annealing treatments in a dedicated furnace.

In order to reach the theoretical efficiency limits of lead-based metal halide perovskite solar cells, the voltage should be enhanced because it suffers from nonradiative recombination. Perovskite materials contain intrinsic defects that can act as Shockley-Read-Hall recombination centers. Several experimental and computational studies have characterized such defect states within the band gap. We give a systematic overview of compositional engineering by distinguishing the different defect reducing mechanisms. Doping effects are divided into influences on: (1) Crystallization; (2) Lattice properties. Incorporation of dopant influences the lattice properties by: (a) Lattice strain relaxation; (b) Chemical bonding enhancement; (c) Band gap tuning. The intrinsic lattice strain in undoped perovskite was shown to induce vacancy formation. The incorporation of smaller ions, such as Cl, F and Cd, increases the energy for vacancy formation. Zn doping is reported to induce strain relaxation but also to enhance the chemical bonding. The combination of computational studies using (DFT) calculations quantifying and qualifying the defect reducing propensities of different dopants with experimental studies is essential for deeper understanding and unraveling insights, such as the dynamics of iodine vacancies and the photochemistry of the iodine interstitials, and can eventually lead to a more rational approach in the search for optimal photovoltaic materials.

The current emergency due to the worldwide spread of the COVID-19 caused by the new SARS-CoV-2 is a great concern for global public health. Already in the past, the outbreak of severe acute respiratory syndrome (SARS) in 2003 and Middle Eastern respiratory syndrome (MERS) in 2012 demonstrates the potential of coronaviruses to cross-species borders and further underlines the importance of identifying new-targeted drugs. An ideal antiviral agent should target essential proteins involved in the lifecycle of SARS-CoV. Currently, some HIV protease inhibitors (i.e., Lopinavir) are proposed for the treatment of COVID-19, although their effectiveness was not yet assessed. The main protease (Mpro) provides a highly validated pharmacological target for the discovery and design of inhibitors. We identified potent Mpro inhibitors employing computational techniques that entail the screening of a Marine Natural Product (MNP) library. MNP library was screened by hyphenated pharmacophore model, and molecular docking approaches. Molecular dynamics and re-docking further confirmed the results obtained by structure-based techniques and allowed to highlight some crucial aspects. Seventeen potential SARS-CoV-2 Mpro inhibitors have been identified among the natural substances of marine origin. As these compounds were extensively validated by a consensus approach and by molecular dynamics, the likelihood that at least one of these compounds could be bioactive is excellent.

The absorption of medium-chain fatty acids (MCFA) depends on the solubility of these components in the gastric fluid. Parameters such as the total MCFA concentration, carboxyl ionization level, and carbon chain length affect the solubility of these molecules. Moreover, the enzymatic lipolysis of solubilized triacylglycerol (TAG) molecules may depend on the carbon chain length of the fatty acids (FAs) components and their positions on the glycerol backbone. This present study aimed at investigating the effect of electrolyte usually formed during the gastric digestion phase on the solubility of MCFA, and evaluating the influence of the FA carbon chain length on the lipolysis rate during the in vitro digestion simulation. The results obtained here showed that the increasing of electrolyte concentrations tend to decrease the mutual solubility of systems composed by the caproic and caprylic fatty acids + sodium chloride, sodium bicarbonate, and potassium chloride solutions. We also observed that a conventional version of the thermodynamic UNIQUAC model was able to correlate the liquid-liquid phase behavior of the electrolyte solutions. Regarding the in vitro digestion simulation, the experimental data indicated that the action of the pancreatic enzyme occurred preferentially in TAG molecules comprised of short and medium-chain fatty acids.

Traditionally, neutron scattering is an essential method for the analysis of spin structures and spin excitations in bulk materials. Over the last 30 years, polarized neutron scattering in terms of reflectometry has also contributed largely to the analysis of magnetic thin films and magnetic multilayers. More recently it has been shown that polarized neutron reflectivity is, in addition, a suitable tool for the study of thin films laterally patterned with magnetic stripes or islands. We provide a brief overview of the fundamental properties of polarized neutron reflectivity, considering different domain states, domain fluctuations, and different domain sizes with respect to the neutron coherence volume. The discussion is exemplified by a set of simulated reflectivities assuming either complete polarization and polarization analysis, or a reduced form of polarized neutron reflectivity without polarization analysis. Furthermore, we emphasize the importance of the neutron coherence volume for the interpretation of specular and off-specular intensity maps, in particular when studying laterally non-homogeneous magnetic films. Finally, experimental results, fits, and simulations are shown for specular and off-specular scattering from a magnetic film that has been lithographically patterned into a periodic stripe array. These experiments demonstrate the different and mutually complementary information that can be gained when orienting the stripe array parallel or perpendicular to the scattering plane.

This paper aims to review the challenges, toxicity, and routes of synthesis and usage of silver nanoparticles in different applications but also highlighting their sustainability from both medical and environmental issues. Regarding their toxicity, it is known that silver nanoparticles can destroy over 650 microorganisms comparing with antibiotics. Supplementary, will be presented in a comparative manner some conventional synthesis routes (physical and chemical methods) and green synthesis routes using plant extracts. The approach using plant extracts have various advantages comparing with physical, chemical and microbial synthesis methods because there is no need to use chemicals, wasteful purifications and high energy requirements. The paper presents an overview on “green nanotechnology” focused on using either biological micro-organisms or plant extracts as an alternative to the classical chemical and physical methods. An important issue discussed in the paper is an overview of the synthesis routes of silver nanoparticles, some expected applications of silver based active agents and their toxicity and challenges that must be overcome. Also, it needs to focus our attention on the dismissal of silver nanoparticles into the environment and especially in water systems, fact which suggests that this issue must be fully understood and applied the law.

The development of innovative materials is one of the most important focuses of research in heritage conservation. Eligible materials can not only protect the physical and chemical integrity of artworks, but also preserve their artistic and aesthetic features. Recently, as one of the hot research topics in materials science, biomimetic superhydrophobic materials have gradually attracted the attention of conservation scientists due to their unique properties. In fact, ultra-repellent materials are particularly suitable for hydrophobization treatments on outdoor artworks. Owing to their excellent hydrophobicity, superhydrophobic materials can effectively prevent the absorption, penetration of liquid water as well as the condensation of water vapor, thus greatly relieving water-induced decay phenomena. Moreover, in presence of liquid water, the superhydrophobic surfaces equipped with self-cleaning property can clean the dirt, dust deposited spontaneously, thereby restoring the artistic features simultaneously. In the present paper, besides the basic principles of wetting on solid surfaces, materials and methods reported for preparing bioinspired ultra-repellent materials, the recently proposed materials for art conservation are also introduced and critically reviewed. Lastly, the current status and the problems encountered in practical application are also pointed out, and the focus of future research is prospected as well.

In order to develop waterborne silicate anticorrosive coatings to replace solvent-based anticorrosive coatings used widely in ship’s industry, epoxy modified silicate emulsions were synthesized with different content of epoxy resin, then aqueous silicate zinc-rich coatings were prepared with synthesized silicate emulsion, triethylamine and zinc powder. The influence of the content of epoxy on the properties and chemical structure of modified emulsion, mechanical properties of silicate coatings, and the corrosion behavior of silicate zinc-rich coatings in 3.5% NaCl solution were investigated. The coating samples on steel were measured by immersion test, Tafel polarization test and electrochemical impedance spectroscopy (EIS) test with different immersion time. The results showed that epoxy modified silicate emulsions were successfully synthesized. With the increase of epoxy content, the viscosity and the solid content of modified emulsion increases, the impact resistance of the silicate coating raises, the pencil hardness decreases, but the adhesion is not affected. Epoxy modification can reduce to s certain extent the corrosion driving force of zinc rich coating and increase the impedance of the zinc-rich coating decreases with the increase of immersion time in 3.5% NaCl solution. With the increase of the epoxy content, the resistance value of the zinc-rich coating increases, indicating the ability of the coating to resist corrosive media is enhanced.

Graphene-oxide (G) was prepared by the Hummers’ method. A G-COOH layer was synthesised using chloroacetic acid and G. To fabricate carboxylated graphene-RuO2 (G-COORu) nano¬¬-composites, RuO2 nano particles were grown on graphene layers using a one-step thermal method, -COOH(G-COOH), and RuCl3. All materials were characterised using X-ray diffraction, transmission electron microscopy, scanning electron microscopy, 13C-nuclear magnetic resonance as well as X-ray photoelectron, Fourier-transform infrared spectroscopy, and Raman. The electrochemical characteristics of the G-COORu supercapacitors were analysed using electrochemical impedance spectroscopy, cyclic voltammetry, constant current charge–discharge tests, and Nyquist impedance plots. The supercapacitors exhibit a specific capacitance of ~125 F g-1 at 100 mA cm-2 within the potential range of 0–1.0 V. The method used here provides a simple approach for the deposition of RuO2 nano particles on graphene layers and can be widened to the fabrication of other classes of hybrids based on G layers for specific technical applications.

Prestrained at 5% and 15% duplex stainless steel UNS S32750 specimens have been subjected to electropulsing treatments with current density of 100 A/mm2 and 200 A/mm2 and 100 and 500 pulses for each current density value. Corrosion tests, X-ray diffraction, microhardness and residual stresses were collected before and after the electropulsing treatments. Tensile tests were performed after the electropulsing treatments in order to compare the mechanical response to the reference tensile tests performed before the pulsing treatments. Increase in fracture strain was observed after the pulsing treatment in comparison to the reference tensile tests. A decrease in microhardness was also observed after the electropulsing treatments for both degrees of prestrain. Electropulsing treatment almost eliminates the work-hardened state in the 5% prestrained specimens while partially recovered the 15% prestrained material increasing both uniform and fracture strain. The bulk temperature of the samples remained the same for all the duration of the treatments. The effect are to be addressed to a combined effect of the increase in atomic flux due to the electrical current and local joule heating in correspondence of crystal defects. Electropulsing treatment applied to metallic alloys is a promising technique to reduce the work hardening state without the need of annealing treatments in a dedicated furnace.

This paper aims to review the challenges, toxicity, and routes of synthesis and usage of silver nanoparticles in different medical applications but also highlighting their sustainability from both medical and environmental issues. Regarding their toxicity, it is known that silver nanoparticles can destroy over 650 microorganisms comparing with antibiotics. Supplementary, will be presented in a comparative manner some conventional synthesis routes (physical and chemical methods) and green synthesis routes using plant extracts. The approach using plant extracts have various advantages comparing with physical, chemical and microbial synthesis methods because there is no need to use chemicals, wasteful purifications and high energy requirements. The main focus in “green nanotechnology” was to use either biological micro-organisms or plant extracts which are an alternative to the classical chemical and physical methods. An important issue that is discussed in the paper is the potential toxicity of silver nanoparticles that may have on human health or on the environment, which powerfully indicates that, the usage and removal of silver nanoparticles must be carefully examined. Also, it needs to focus our attention on the dismissal of silver nanoparticles into the environment and especially in water systems, fact which suggests that this issue must be fully understood and apply accordingly the law.

Starting from December 2019, coronavirus disease 2019 (COVID-19) has emerged as a once-in-a-century pandemic with deadly consequences, which urgently calls for new treatments, cures and supporting apparatuses. Remdesivir was reported by World Health Organization (WHO) as the most promising drug currently available for the treatment of COVID-19. Here, we use molecular dynamics simulations and free energy perturbation methods to study the inhibition mechanism of remdesivir to its target SARS-CoV-2 virus RNA-dependent RNA polymerase (RdRp). In the absence of a crystal structure of the SARS-CoV-2 RdRp, we first construct the homology model of this polymerase based on a previously available structure of SARS-CoV NSP12 RdRp (with a sequence identify of 95.8%). We then build the putative binding mode by aligning the remdesivir + RdRp complex to the ATP bound poliovirus RdRp. The putative binding structure is further optimized with molecular dynamics simulations and demonstrated to be stable, indicating a reasonable binding mode for remdesivir. The relative binding free energy of remdesivir is calculated to be -8.28 ± 0.65 kcal/mol, much stronger than the natural substrate ATP (-4.14 ± 0.89 kcal/mol) which is needed for the polymerization. The ~800-fold improvement in the K_d from remdesivir over ATP indicates an effective replacement of APT in blocking of the RdRp binding pocket. Key residues D618, S549 and R555 are found to be the contributors to the binding affinity of remdesivir. These findings demonstrate that remdesivir can potentially act as a SARS-CoV-2 RNA-chain terminator, effectively stopping its RNA reproduction, with key residues also identified for future lead optimization and/or drug resistance studies.

Molecular engineering research is the fundamental way and the only way for the development of biomaterials. Based on molecular engineering, the biocompatibility of natural conformation and polymer biomaterials was studied. In this paper, we discuss that natural conformation is the basis of protein biological function, and that the synergistic action of peptide chain and side group is the motive force for protein to construct natural conformation and complete biological function. On the basis of the influence of the adsorption of polymer biomaterials on the natural conformation of proteins, the relationship between biocompatibility of biomaterials and protein conformation is further explained. Studies have shown that bismuth molecular materials can only be applied in the market and have their functionality if they have good biocompatibility. Therefore, the biocompatibility evaluation of new materials has important practical significance.

Surface Plasmon Resonance (SPR) is an attracting property of certain transition metals when they are synthesized in nano-range giving rise to promising optical applications. However, most SPR and associated applications are limited to the noble metal nanoparticles, which limits their potential due to high production cost. We report surface plasmon resonance in copper-copper oxide core-shell quantum dots synthesized via chemical route studied by using UV-Visible spectrophotometry. Tuning of the plasmonic resonance with respect to the particle diameter is achieved by an inexpensive all chemical route. Photoluminescence measurements also support the data. This size reduction leads to remarkable changes in its optical response as compared to the bulk metal. The results point towards applications of these materials in tunable SPR based biosensors.

With the increasing resistance of bacteria to current antibiotics, novel compounds are urgently needed to treat bacterial infections. Streptozotocin (STZ) is a natural product that has broad-spectrum antibiotic activity, albeit with limited use because of its toxicity to pancreatic β cells. In an attempt to derivatize STZ through structural modification at the C3 position, we performed the synthesis of three novel STZ analogues by making use of our recently developed regioselective oxidation protocol. Keto-STZ (2) shows the highest inhibition of bacterial growth (MIC and viability assays), but is also the most cytotoxic compound. Pre-sensitizing the bacteria with GlcNAc increased the antimicrobial effect, but did not result in complete killing. Interestingly, allo-STZ (3) revealed moderate concentration-dependent antimicrobial activity and no cytotoxicity towards β cells, and deoxy-STZ (4) showed no activity at all.

In many instances paints interlayers delamination is attributed either to environmental or to application reasons. The composition as well as the structure, including morphology are always given for granted. The resin to pigment ratio, the surfactants, the quality of pigments and fillers (dimensions, shape, wettability, reactivity, homogeneity of distribution…) are not clearly required, defined and consequently checked. A fundamental article appeared in 1949 defining PVC and CPVC. In the following, it was quoted several times but not many improvements in the subject were shown: the subject was considered as obvious and unquestionable. We have tested some cases of coating delamination from big steel structures where other causes were either absent or not dominating if paint features were not taken into account. Many features of paint composition and structure were analyzed with both SEM and EDAX and a comparison with a carefully formulated paint was carried out.

We investigated the effect of helium atmospheric-pressure plasma (PL) and deep-ultraviolet (UV) light treatments on the adhesive properties of fiber-reinforced poly(ether-ether-ketone)polymer (PEEK). PEEK disks reinforced with carbon (CPEEK) or glass (GPEEK) fibers were polished, modified with PL and UV for 60 s, and the surface energy was calculated by measuring the contact angles. The disk surfaces were analyzed by X-ray photoemission spectroscopy. Shear bond strength testing was performed using a universal testing machine, and the fracture surfaces were observed by electron probe microanalyzer. Data were analyzed with one and two-way ANOVA and Tukey’s post-hoc test (p < 0.05). The surface energies were increased by the modifications, which created OH functional groups on the surfaces. The bond strengths of CPEEK were increased by PL and those of GPEEK were increased by PL and UV, owing to chemical bonding at the interface.

Static (SLS) and dynamic (DLS) light scattering techniques are assessed for their capacity to detect colloidal particles with diameters between d = 0.1 and 0.8 µm at very low concentrations in seawater. The detection limit of the apparatus was determined using model monodisperse spherical polystyrene latex particles with diameters 0.2 µm and 0.5 µm. It is shown that the concentration and size of colloids can be determined down to about 10^-6 g/L. Seawater obtained from different locations in western Europe was characterized using light scattering. It was found that seawater filtered through 0.45 µm pore size membrane filters was within the experimental error the same as that of ultrapure Milli-Q water containing the same amount of sea salt and no colloids could be detected with DLS. When the seawater was filtered through 0.8 µm pore size filters, colloidal particles were detected. The measurements show that the concentration of colloids in the seawater samples is not higher than 10^-6 g/L and that they have an average diameter of about 0.6 µm. We stress that these particles are not necessarily nanoplastics.

In this research, low-fat dried Chinese sausage was formulated with mango peel pectin (MPP) extracted by microwave assisted extraction (MAE) (0%, 5%, 10% and 15% (w/w). The extractable yield of pectin attained from peel of Nam Dok Mai variety was achieved at 13.85% using 700-watt power. The extracted MPP were of high equivalent weight (1,485.78 mg/mol), degree esterification (77.19%) and methoxyl content (19.33%) with the structure of more porosity as compared to that of the conventional method. Spectrum scans by Fourier transform infrared spectrophotometer (FT-IR) advised that the extracted MPP gave the similar wave number profiles as the commercial pectin. Quality attributes of the Chinese sausages were accessed and compared with the control formula (CTRL). At higher concentrations of MPP, the product had positively increased colour intensity. The texture profile of the sausage illustrated that only the hardness value was comparable with the CTRL, while springiness, cohesiveness, gumminess and chewiness were statistically lower (p < 0.05). Furthermore, the sensory evaluation by experienced panellists (n=12) indicated that 5% MPP similarly represented overall acceptability with the CTRL. Consequently, MPP can be effectively applied at low level as fat replacement in Chinese sausage allowing colour improvement and product of healthier option.

In this paper, we present a preliminary study and conceptual idea concerning 3D printing water-sensitive glass by exemplifying with a borosilicate glass with high alkali and alkaline oxide contents using direct ink writing. The investigated material was prepared in the form of a glass frit, which was further ground in order to obtain a fine powder of desired particle size distribution. In a following step, inks were prepared by mixing the fine glass powder with Pluoronic F-127 hydrogel. The acquired pastes were rheologically characterized and printed using a Robocasting device. DSC experiments were performed for base materials and the obtained green bodies. After sintering, SEM and XRD analyses were carried out in order to examine microstructure and the eventual presence of crystalline phase inclusions. Results confirmed that obtained inks exhibit stable rheological properties despite the propensity of glass to undergo hydrolysis and could be adjusted to desirable values for 3D printing. No additional phase was observed, supporting the suitability of the designed technology for the production of water sensitive glass inks. SEM micrographs of the sintered samples revealed the presence of closed porosity, which may be the main reason of light scattering.

Constitutive models for plastic deformation of metals are typically based on flow rules determining the transition from elastic to plastic response of a material as function of the applied mechanical load. These flow rules are commonly formulated as a yield function, based on the equivalent stress and the yield strength of the material, and its derivatives. In this work, a novel mathematical formulation is developed that allows the efficient use of machine learning algorithms describing the elastic-plastic deformation of a solid under arbitrary mechanical loads and that can replace the standard yield functions with more flexible algorithms. By exploiting basic physical principles of elastic-plastic deformation, the dimensionality of the problem is reduced without loss of generality. The data-oriented approach inherently offers a great flexibility to handle different kinds of material anisotropy without the need for explicitly calculating a large number of model parameters. The applicability of this formulation in finite element analysis is demonstrated, and the results are compared to formulations based on Hill-like anisotropic plasticity as reference model. In future applications, the machine learning algorithm can be trained by hybrid experimental and numerical data, as for example obtained from fundamental micromechanical simulations based on crystal plasticity models. In this way, data-oriented constitutive modeling will also provide a new way to homogenize numerical results in a scale-bridging approach.

Lamellar eutectic structure of Al_0.7CoCrFeNi high-entropy alloy (HEA) is emerging as a promising candidate for structural applications because of its high strength-ductility combination. The alloy consists of a fine-scale lamellar fcc+B2 microstructure with high flow stresses >1500 MPa under quasi-static conditions. The response to shear loading was not investigated so far. This is the first report on the shear deformation of an eutectic structured HEA and effect of precipitation on shear deformation. The dynamic shear response (DSR) of the eutectic HEA was examined in two microstructural conditions, with and without the presence of L1₂ precipitates. A split-Hopkinson pressure bar (SHPB) was used to compress the hat-shaped specimens to study the local DSR of the alloy. The adiabatic shear bands (ASBs) in two different microstructural conditions were characterized after deformation at dynamic strain rates. The adiabatic shear localization occurs at low strains for the high strength material, and the eutectic microstructure does not delay cracking. The width of ASBs and the extent of plastic deformation around them has been correlated with the rate of straining. Dynamic recrystallization within ASBs and profuse twinning around it was observed. Local mechanical response of individual lamellae before and after shear deformation was examined using nano-indentation.

A shrimp oil rich in omega-3 lipids and carotenoids is obtained in remarkably high 5 wt% yield extending to pink shrimp processing waste (head and carapace) the circular economy approach to extract fish oil from fish processing by-products using d-limonene. Biobased limonene, a powerful antimicrobial and antioxidant agent, is an excellent solvent for both lipids and astaxanthin-based carotenoids preventing oxidative degradation during the extraction cycle including solvent and oil separation at 85°C. A new low cost route is established to extract valued marine oil from biowaste annually made available in over 2.2 million tonnes.

Sterilisation and preservation of vesicle formulations are an important consideration for their viable manufacture for industry applications, particular those intended for medicinal use. Here we undertake an initial investigation of the stability of hybrid lipid – block copolymer vesicles to common sterilisation and preservation processes, with particular interest in how the block copolymer component might tune vesicle stability. We investigate two sizes of polybutadiene-block-poly(ethylene oxide) polymers (PBd12-PEO11 and PBd22-PEO14) mixed with the phospholipid POPC considering the encapsulation stability of a fluorescent cargo and the colloidal stability of vesicle size distributions. We find that autoclaving and lyophilisation cause complete loss of encapsulation stability under the conditions studied here. Filtering through 200 nm pores appears to be viable for sterilisation for all vesicle compositions with comparatively low release of encapsulated cargo, even for vesicle size distributions which extend beyond the 200 nm filter pore size. Freeze-thaw of vesicles also shows promise for preservation of hybrid vesicles with high block copolymer content. We discuss the process stability of hybrid vesicles in terms of the complex mechanical interplay between bending resistance, stretching elasticity and lysis strain of these membranes and propose strategies for future work to further enhance the process stability of these vesicle formulations.

Owing to the reduction of rupture instability and the avoidance of wrinkle defect, hydrodynamic deep drawing (HDD) process is gradually becoming attractive for fabricating lightweight and complicated products. Meanwhile, since metallic material presents anisotropic deformation behavior, it is necessary to select an appropriate constitutive model for the prediction of plastic deformation behavior of applied material with high precision. In the present research, several anisotropic yield criteria namely, Hill’48, Yld2000-2d and BBC2005 are implemented to investigate the effect of yield functions on the prediction accuracy of the critical process window and deformation behavior for HDD process of 2024 and 5754 aluminum alloys. Material constants in the yield criteria are determined by applying uniaxial and equi-biaxial tension tests and optimizing an error-function by using the Levenberg-Marquardt algorithm. Furthermore, the process window diagram is computed utilizing the stress analytical model combined material properties with workpiece geometrical features. Numerical simulation results of predicted material anisotropic parameters, process window and HDD deformation for aluminum alloys are compared with the experimental data. Through the comparison of diverse yield criteria based on materials anisotropic coefficients, critical process window prediction, earing profile, and thickness distribution, it is revealed that the Yld2000-2d and the BBC2005 yield criteria can offer more precise models of material behavior in planar anisotropy properties for HDD process of 2024 and 5754 aluminum alloys.

Future, flexible thermal energy conversion systems require new, demand-optimized high-performance materials. The High performance Ferritic (HiperFer) stainless steels, under development at the Institute of Microstructure and Properties of Materials (IEK-2) at Forschungszentrum Jülich GmbH in Germany, provide a balanced combination of fatigue, creep and corrosion resistance at reasonable price. This paper outlines the scientific background of alloy performance development, which resulted in an age-hardening ferritic, stainless steel grade. Furthermore, technological properties are addressed and the potential concerning application is estimated by benchmarking versus conventional state of the art materials.

The article describes synthesis of aminoorgano-functionalized silica as a perspective material for catalysis application. The amino groups have electron donor properties valuable for metal chemical state of palladium. So presence of electron donor groups is important for increasing of catalysts stability. The research is devoted to investigation of silica amino-modified support influence on activity and stability of palladium species in 4-nitroaniline hydrogenation process. A series of catalysts with different supports such as SiO2, SiO2-C3H6-NH2 (amino-functionalized silica), γ-Al2O3 and activated carbon were studied. The catalytic activity was studied in the hydrogenation of 4-nitroaniline to 1,4-phenylenediamine. The catalysts were characterized by scanning electron microscopy, transmission electron microscopy, x-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy and pulse chemisorption of hydrogen. The 5 wt. % Pd/SiO2-C3H6-NH2 catalyst exhibited the highest catalytic activity for 4-nitroaniline hydrogenation with 100% conversion and 99% selectivity with respect to 1,4-phenylenediamine.

The paper introduces a valuable new description of fatigue strength in relation to material properties and thus a new perspective on the overall understanding of the fatigue process. Namely, a relation between the endurance limits and the accompanying values of the critical resolved shear stress (CRSS) for various metallic materials has been discovered by means of a multiscale approach for fatigue simulation. Based on the uniqueness of the relation, there is a strong indication that it is feasible to relate the endurance limit to the CRSS, and not to the ultimate strength as often done in the past.

Atomic force microscopy (AFM) has been extensively used for the nanoscale characterization of polymeric materials. The coupling of AFM with infrared spectroscope (AFM-IR) provides another advantage to the chemical analyses and thus helps to shed light upon the study of polymers. In this perspective paper, we review recent progress in the use of AFM-IR in polymer science. We describe first the principle of AFM-IR and the recent improvements to enhance its resolution. We discuss then the last progress in the use of AFM-IR as a super-resolution correlated scanned-probe IR spectroscopy for chemical characterization of polymer materials dealing with polymer composites, polymer blends, multilayers and biopolymers. To highlight the advantages of AFM-IR, we report here several results in studying crystallization of both miscible and immiscible blends as well as polymer aging. Then, we demonstrate how this novel technique can be used to determine phase separation, spherulitic structure and crystallization mechanisms at the nanoscale, which have never been achieved before. The review also discusses future trends in the use of AFM-IR in polymer materials, especially in polymer thin film investigation.

Nanoparticle (NP)–surfactants formed by the self-assembly of NPs and end-functionalized polymers at the hydrophilic/hydrophobic interface have a wide range of applications in many fields. In this study, the influence of density of amino groups, NPs dimension and pH on the interaction between end-functionalized polymers and NPs were extensively investigated. Single amino-terminated polystyrene (PS-NH2, Mw ≈ 0.6k, 2.5k, 3.5k, 3.9k) and diamino-terminated polystyrene (H2N-PS-NH2, Mw ≈ 1.1k, 2.8k) were prepared using reversible addition–fragmentation chain transfer polymerization and atom transfer radical polymerization. NPs with different dimensions (zero-dimensional carbon dots with sulfonate groups, one-dimensional cellulose nanocrystals with sulfate groups and two-dimensional graphene with sulfonate groups) in the aqueous phase were added into the toluene phase containing the aminated PS. The influence of pH and the molecular weight of amino-terminated PS on the interfacial tension between two phases were investigated. The results indicate that aminated PS exhibited the strongest interfacial activity after compounding with sulfonated NPs at a pH of 3. Terminating PS with amino groups on both ends leads to better performance in in reducing the water/toluene interfacial tension than modifying the molecular structure of PS on a single end. The dimension of sulfonated NPs also contributed significantly to the reduction of the water/toluene interfacial tension. The minimal interfacial tension was 4.49 mN/m after compounding PS-NH2 with sulfonated zero-dimensional carbon dots. Molecular dynamics simulation on the evolution of the water/toluene interface in the presence of sulfonated carbon dots and H2N-PS-NH2 revealed that these opposite charged substances moved towards the interface in an extreme short time and orderly assembled in a thermodynamic equilibrium.

The objective of this study was to assess the ability of producing laminated edible films manufactured using the following proteins; gelatin (G), whey protein isolate (WPI), and polysaccharide; sodium alginate (SA), and to evaluate their physical properties. Additionally, films’ preparation employing these ingredients was optimized through the addition of corn oil (O), Overall, 8-types of laminated films (G-SA, G-WPI, SA-WPI, SA-G-WPI, GO-SAO, GO-WPIO, SAO-WPIO, SAO-GO-WPIO were developed in this study. The properties of the prepared films were characterized through the measurement of; tensile strength (TS), elongation at break point (EB), puncture resistance (PR), tear strength (TT), water vapour permeability (WVP) and oxygen permeability (OP). The microstructure of cross-sections of laminated films was investigated by scanning electron microscopy (SEM). Mechanical properties of films were dramatically enhanced through the addition of film layers. GO-SAO laminate showed the best barrier properties to water vapour (22.6 ± 4.04 g mm/kPa d m2) and oxygen (18.2 ± 8.70 cm3 mm/kPa d m2). SAO-GO-WPIO laminate film was the strongest of all laminated films tested, having the highest TS of 55.77 MPa, PR of 41.36 N and TT of 27.32 N. SA-G-WPI film possessed the highest elasticity with an EB value of 17.4%.

In two-dimensional materials research, oxidation is usually considered as a common source for the degradation of electronic and optoelectronic devices or even device failure. However, in some cases a controlled oxidation can open the possibility to widely tune the band structure of 2D materials. In particular, we demonstrate the controlled oxidation of titanium trisulfide (TiS₃), a layered semiconductor that attracted much attention recently thanks to its quasi-1D electronic and optoelectronic properties and its direct bandgap of 1.1 eV. Heating TiS₃ in air above 300 °C gradually converts it into TiO₂, a semiconductor with a wide bandgap of 3.2 eV with applications in photo-electrochemistry and catalysis. In this work, we investigate the controlled thermal oxidation of individual TiS₃ nanoribbons and its influence on the optoelectronic properties of TiS₃-based photodetectors. We observe a step-wise change in the cut-off wavelength from its pristine value ~1000 nm to 450 nm after subjecting the TiS₃ devices to subsequent thermal treatment cycles. Ab-initio and many-body calculations confirm an increase of the bandgap of titanium oxysulfide (TiO_2-xS_x) when increasing the amount of oxygen and reducing the amount of sulfur.

With increasing interest in the use of additive manufacturing techniques in the construction industry, static rheological properties of fresh concrete have necessarily come into focus. In particular, the knowledge and control of static yield stress (SYS) and its development over time are crucial for mastering formwork-free construction, e.g. by means of layered extrusion. Furthermore, solid understanding of the influences of various concrete constituents on the initial SYS of the mixture and the structural build-up rate is required for purposeful material design. This contribution is concentrated on the effect of aggregates on these rheological parameters. The volume fraction of aggregates was varied in the range of 35 to 55 % by volume under condition of constant total surface area of the particles. The total surface area per unit volume of cement paste was equal to 5.00, 7.25 and 10.00 m²/l, conditioned on the constant volume fraction of aggregates. Both variations were enabled by changing the particle size distributions of the aggregates while holding the cement paste composition constant for all concrete mixtures. To characterise the SYS and the structural build-up, constant shear rate tests with a vane-geometry rotational rheometer were performed. It was found that in the ranges under investigation the variation in volume fraction had a more pronounced effect on the static rheological properties of concrete than did the variation in surface area. An accurate mathematical description of the relationship between the initial SYS of concrete and the relative volume fraction of aggregate based on the Chateau-Ovarlez-Trung model was proposed. Challenges in deriving a similar relationship for the structural build-up rate of concrete were highlighted.

In-situ grown C_0.3N_0.7Ti and SiC, which derived from non-oxide additives Ti₃SiC₂, are proposed to densify silicon nitride (Si₃N₄) ceramics with enhanced mechanical performance. Remarkable increase of density from 79.20% to 95.48% could be achieved for Si₃N₄ ceramics with 5vol% Ti₃SiC₂. The capillarity of decomposed Si from Ti₃SiC₂, and in-situ reaction between nonstoichiometric TiC_x and Si₃N₄ were believed to be responsible for densification of Si₃N₄ ceramics. An obvious enhancement of flexural strength and fracture toughness for Ti₃SiC₂ doped Si₃N₄ ceramics was observed. The maximum flexural strength of 795 MPa for Si₃N₄ composites with 5vol% Ti₃SiC₂ and maximum fracture toughness of 6.97 MPa^.m^1/2 for Si₃N₄ composites with 20vol% Ti₃SiC₂ are achieved when mixed powders are hot-press sintered at 1700℃. Pull out of elongated Si₃N₄ grains, crack bridging, crack branching and crack deflection were demonstrated to dominate enhance fracture toughness of Si₃N₄ composites.

Curcumin and trans-cinnamaldehyde are acrolein-based Michael acceptor compounds that are commonly found in domestic condiments, and known to cause cancer cell death via redox mechanisms. Based on the structural features of these compounds we designed and synthesized several 2-cinnamamido-N-substituted-cinnamamide (bis-cinnamamide) compounds. One of the derivatives, (Z)-2-[(E)-cinnamamido]-3-phenyl-N-propylacrylamide 1512 showed a moderate antiproliferative potency (HCT-116 cell line inhibition of 32.0 µM), good selectivity profile (no inhibition of normal cell lines), and proven cellular activities leading to apoptosis. SAR studies led to more than 10-fold increase in activity. Our most promising compound, [(Z)-3-(1H-indol-3-yl)-N-propyl-2-[(E)-3-(thien-2-yl)propenamido)propenamide] 4112 killed colon cancer cells at IC50 = 0.89 µM (Caco-2), 2.85 µM (HCT-116) and 1.65 µM (HT-29), while exhibiting much weaker potency on C-166 and BHK normal cell lines (IC50 = 71 µM and 77.6 µM, respectively). Cellular studies towards identifying the compounds mechanism of cytotoxic activities revealed that apoptotic induction occurs in part as a result of oxidative stress. Importantly, the compounds showed inhibition of cancer stem cells that are critical for maintaining the potential for self-renewal and stemness. The results presented here show discovery of covalently-acting Michael addition compounds that potently kill cancer cells by a defined mechanism, with minimal effect on normal noncancerous cell.

The purpose of this study is to check out the involvement of entropy in Mpemba effect. Provided that preheating of the water the cooling duration is reduced, we theoretically show that water gains more entropy when warmed and re-cooled to the original temperature.

Coronavirus disease 2019 (COVID-19) has been first appeared in Wuhan, China but its fast transmission, led to its widespread prevalence in various countries and make it a global concern. In addition, lack of a definitive treatment is another concern that needs to be attention. Researchers have come up with several options, which are not certain, but protease inhibitor and some antiviral agent are in the forefront. In this study a virtual screening procedure employing docking of different databases including 1615 FDA approved drugs was used to identify new potential small molecule inhibitors for protease protein of COVID-19. The docking result indicates that among all, simeprevir (Hepatitis C virus (HCV) NS3/4A protease inhibitor) could fit well to the binding pocket of protease and because of some other positive features including ADME profile, might be a helpful treatment option for COVID-19.

Carbon dioxide has become a global challenge, where the emissions have become more than what could be handled. In this regard, conversion of CO2 to value added chemicals and thus recycling CO2 became a viable option. One of these options is the use of a process in strong development: oxycombustion. However, the gases resulting from this process contain some traces of impurities that can hinder the recovery of CO2 such as NO and CO. This work has therefore focused on the study of the reaction of NO reduction by CO in an oxidizing medium, using catalytic materials based on various supported noble metals. These materials were extensively characterized by a variety of methods including BET surface area measurements, hydrogen chemisorption, Transmission Electron Microscopy (TEM) and H2 temperature programmed reduction (H2-TPR). The obtained results show that the catalytic behaviour of M/Al2O3 catalysts in CO oxidation and NO reduction with CO in oxidative conditions depends mainly on the nature of the metal. The best result for these both reactions is obtained with Pt/Al2O3 catalyst. The Pt nanoparticles existing in the metallic form (Pt°) showed by TPR could explain the activity.

Behavior of supported alloyed and de-alloyed platinum-copper catalysts, which contained 14% - 27% wt. of Pt, was studied in the reactions of methanol electrooxidation (MOR) and oxygen electroreduction (ORR) in 0.1 M HClO4 solutions. Alloyed PtCux/C catalysts were prepared by a multistage sequential deposition of copper and platinum onto a Vulcan XC72 dispersed carbon support. De-alloyed PtCux-y/C catalysts were prepared by PtCux/C materials pretreatment in acid solutions. The effects of the catalysts initial composition and the acid treatment condition on their composition, structure, and catalytic activity in MOR and ORR were studied. Functional characteristics of platinum-copper catalysts were compared with those of commercial Pt/C catalysts when tested, both in an electrochemical cell and in H2/Air membrane-electrode assembly (MEA). It was shown that the acid pretreatment of platinum-copper catalysts practically does not have negative effect on their catalytic activity, but it reduces the amount of copper passing into the solution during the subsequent electrochemical study. The activity of platinum-copper catalysts in the MOR and the current-voltage characteristics of the H2/Air PEMFC MEAs measured in the process of their life tests were much higher than those of the Pt/C catalysts.

Sulphuric acid is a widely used raw material in the chemical industry. Its corrosive effect on materials varies considerably, depending on impurities, temperature and water content. Accordingly, good corrosion resistance under all conditions is very difficult to achieve. This is especially an issue for micro process apparatus with very thin walls. Furthermore, such devices are often joint by diffusion bonding what may alter materials properties due to high temperatures and long dwell times. In fact, for each new material, the diffusion bonding parameters must be optimized and the impact on mechanical as well as corrosion properties must be investigated. In this paper, two high molybdenum alloys, namely Hastelloy B3 and BC-1, were evaluated. Diffusion bonding tests were performed using ten layers of sheet material in between round stock. Corrosion tests were performed in 70 % sulphuric acid at 100°C for 1000 h. Tensile tests on both alloys were carried out for different material conditions, to determine the change in mechanical strength and elongation at fracture values. In general, independent of the condition of the materials, the fracture behavior of both alloys was found to be ductile and the specimens show the typical dimple structure, in the case of diffusion bonded samples, interrupted by weak spots or rather non-bonded areas. These areas are obviously causing the onset of material failure and thus, a degradation of mechanical properties. Tensile samples, that were aged in 70% sulphuric acid at 100°C for 1000 hours showed local corrosion attacks at the grain boundaries at the circumferential surfaces and especially at the joining planes – for Hastelloy B3 much more pronounced than for Hastelloy BC-1. Accordingly, a further decrease of both, the stress- and elongation at fracture values is observed. However, the typical material parameters like 0.2 % yield strength used for dimensioning components are found to be sufficient high, even when operating the materials under such harsh conditions. When concluding the results, at least Hastelloy BC-1 reveals both sufficient good mechanical properties and an excellent corrosion resistance, regardless of the heat treatment, and could be considered for manufacturing micro-process engineering apparatuses operated in a sulphuric acid environment. This is a significant advance compared to the results obtained within a AiF project, previously carried out on four different materials to investigate the corrosion resistance in sulphuric acid.

The anodic polarization response of magnesium alloy AZ31 was characterized during exposure to aerated 0.1M NaCl solutions with millimolar additions of NaVO₃, Na₃PO₄, Na₂HPO₄, NaF and various pairings to assess their ability to inhibit corrosion kinetics and retard localized corrosion. Each of the candidate inhibitors reduced the corrosion rate of the alloy to some degree. A Na₃PO₄ - NaVO₃ pair produced a powerful inhibiting response decreasing the corrosion rate to about 10^-7 A/cm², which was two orders of magnitude lower than the uninhibited control case. A Bliss Independence assessment indicated that this inhibitor pair acted synergistically. A Na₂HPO₄ - NaVO₃ pair reduced the corrosion rate to 10^-6 A/cm² but was not assessed to be acting synergistically. The NaVO₃ - NaF pair did not reduce the corrosion rate significantly compared to the control case and was an antagonistic pairing. SEM imaging showed film formation due to exposure, which appears to be the origins of the observed inhibition. The resistance to localized corrosion was assessed as the difference in the breakdown potential and the corrosion potential with larger values indicating a lower probability of localized corrosion during free corrosion exposures. Effects of the inhibitors on this characteristic were mixed, but each of the inhibitor pairs yielded potential differences in excess of 100mV. A conceptual conversion coating process based on a mixture of vanadate and phosphate compounds were demonstrated. A fluoride-bearing formulation produced coatings whose total impedance was increased by a factor or 2 compared to an uncoated control. A fluoride-free formulation produced coatings whose corrosion resistance was increased by more than a factor of 3.

Silver particles are prepared by dewetting Ag films coated on glass using a fiber laser. The size of the particles is controlled in the range of 92 nm ~ 1.2 μm by adjusting the thickness of the Ag film. The structural properties and surface roughness of the particles are evaluated by means of scanning electron microscopy. In addition, the antifungal activity of the Ag particles is examined using spore suspensions of Colletotrichum gloeosporioides. It is shown that the particles with a size of 1.2 μm achieve 100% inhibition of the conidia growth of the Colletotrichum gloeosporioides after a contact time of just 5 min. Furthermore, the smaller particles also achieve a good antibacterial activity given a longer contact time. Similar results are observed in spore germination and pathogenicity tests performed on mango fruit and leaves. Overall, the results confirm that the Ag particles have an excellent antifungal effect on Colletotrichum gloeosporioides.

Chemical variability in the components of T. vogelii essential oils from eastern Uganda was identified using principal component analysis (PCA) and Agglomerative hierarchical clustering (AHC). Based on the profiles of the compounds of farnesene family three chemotypes were found: farnesol (chemotype 1), springene (β- Springene and α-Springene) and the β-Farnesene were distinctive in chemotype 2 and a mixed variety of farnesol and the Springene. In the three cases, alkybenzenes; o-xylene, m-xylene and ethylbenzene were significant components in the oil. 1,4-dihydroxy-p-menth-2-ene, 5,9-undecadien-2-one, 6,10-dimethyl, and 3-cyclohexen-1-carboxaldehyde,3,4-dimethyl were other prominent constituents. The yields of the essential oils did not vary significantly however the chemical composition varied with harvesting time during the rainy and dry seasons. In choice repellency tests, chemotype 1 and chemotype 2 were more active against Sitophilus zeamais than mixed chemotype. Farnesol was found to be effective only at a higher concentration as a repellent against S. zeamais. However, further study that aims to optimize and standardize the varieties and harvesting period needed for recommendation to smallhold farmers.

In order to obtain makhwean (MK) fruit essential oil of constant aromatic profile during raw material sourcing, evaluation of relationship between genotype, phenotype and chemical profiles are necessary. Three specimens of the MK (MK1-3) distributed in Northern Thailand were genetically and morphologically compared with other Zanthoxylum spices known locally as mamaad (MM) and makwoung (MKO), respectively. MM was taxonomical confirmed as Z. armatum based on plant structure and leaf characteristic (Odd-pinnately compound leaf). MKO and MK were identified as Z. rhetsa and Z. myriacanthum using number of petals and anthers. Genetic sequencing by Internal Transcribed Spacer (ITS) sequence and Random Amplified Polymorphic DNA moreover, divided these Zanthoxylum spps. into three groups accordingly to their species viz., MM, MKO and MK. Essential oil of the dried fruits from these samples was extracted and analysed for physical and chemical profiles. Cluster analysis (PCA-biplot) of volatile compositions was able to separate 1) MK1 and MK3 with limonene as leading component, 2) MK2 and MKO related with sabinene and β-philandrene, 3) MM with linalool. By using odour attribute representatives, the essential oil of MKO and MK1-3 were closely related possessing fruity, woody and citrus aromas, while the MM was sweet/ floral. In summary for MK raw material sourcing, plant genotyping played the most important role to odour characteristics than growing locations, thus plant species confirmation should be first considered.

Metallic nanoparticles (NPs), among polymeric NPs, liposomes, micelles, quantum dots, dendrimers, or fullerenes, are becoming more and more important due to their potential use in the novel medical therapies. Titanium dioxide (titanium(IV) oxide, titania, TiO2) is an inorganic compound that owes its recent rise in scientific interest to photoactivity. After the illumination in aqueous media with UV light, TiO2 produces an array of reactive oxygen species (ROS). The capability to produce ROS and thus induce cell death has found application in the photodynamic therapy (PDT) for the treatment of a wide range of maladies, from psoriasis to cancer. Titanium dioxide NPs were studied as photosensitizing agents in the treatment of malignant tumors as well as in photodynamic inactivation of antibiotic-resistant bacteria. Both TiO2 NPs themselves, as well as their composites with other molecules, can be successfully used as photosensitizers in PDT. Moreover, various organic compounds can be grafted on TiO2 NPs, leading to hybrid materials. These nanostructures can reveal increased light absorption allowing their further use in targeted therapy in medicine. In order to improve efficient anticancer therapy, many approaches utilizing titanium dioxide were tested. The most significant studies are discussed in this review.

The paper presents a synthesis of deep eutectic solvents (DESs) based on choline chloride (ChCl) as hydrogen bond acceptor and phenol (Ph), glycol ethylene (EG), and levulinic acid (Lev) as hydrogen bond donors in 1:2 molar ratio. DESs were successfully used as absorption solvents for removal of dimethyl disulfide from (DMDS) from model biogas steam. Several parameters affecting the absorption capacity and absorption rate has been optimized including kind of DES, temperature, the volume of absorbent, model biogas flow rate, and initial concentration of DMDS. Furthermore, reusability and regeneration of DESs by means of adsorption and nitrogen barbotage followed by the mechanism of absorptive desulfurization by means of density functional theory (DFT) as well as FT-IR analysis were investigated. Experimental results indicate that the most promising DES for biogas purification is ChCl:Ph, due to high absorption capacity, relatively long absorption rate, and easy regeneration. The research on the absorption mechanism revealed that van der Waal interaction is the main driving force for DMDS removal from model biogas.

On the system Au(III)-HCl-A324H⁺Cl^-, liquid-liquid extraction experiments were used to define the extraction equilibrium and the corresponding extraction constant, and the facilitated transport of this precious metal, from HCl solutions, across a flat-sheet supported liquid membrane was investigated, using the ionic liquid as carrier, as a function of hydrodynamic conditions, concentration of gold(III) (0.01-0.1 g/L), and HCl (0.5-6 M) in the feed phase, and carrier concentration (0.023-0.92 M) in the membrane. An uphill transport equation was derived considering aqueous feed boundary layer diffusion and membrane diffusion as controlling steps. The aqueous diffusional resistance (Δf) and the membrane diffusional resistance (Δm) were estimated from the proposed equation, being their values 241 s/cm an 9730 s/cm, respectively. The performance of the present carrier was compared against results yielded by other ionic liquids, and also it was investigated the influence that other metals had on gold(III) transport both from binary or quaternary solutions. Gold was finally recovered from receiving solutions as zero valent gold nanoparticles.

Over the last decades, the coated glass products, and especially the low-emissivity coatings have become a common building material used in modern architectural projects. More recently, these material systems became common in specialized glazing systems featuring solar energy harvesting. Apart from achieving the stability of optical parameters in multilayer coatings, it is also important to have improved control over the design of visual color properties of the coated glass. We prepare metal-dielectric composite (MDC) based multilayer thin-film structures using the RF-magnetron sputtering deposition and report on their optical and chromaticity properties in comparison with these obtained using pure metal-based Dielectric/Metal/Dielectric (DMD) trilayer structures of similar compositions. Experimentally achieved Hunter L, a, b values of MDC-based multilayer building blocks of coatings provide a new outlook on the engineering of future-generation optical coatings with better color consistency and developing approaches to broaden the range of achievable color coordinates and better environmental stability.

The effect of the addition of maleated polyethylene (MAPE) to compounds of natural rubber (NR) and Teline monspessulana flour (TMF) previously mercerized was investigated. Two factors were analyzed: A. concentration of MAPE with five levels 2; 4; 6; 8; 10 phr (parts per hundred rubber), B. concentration of TMF with two levels 25 and 40 phr. The effect of MAPE on compatibility between NR and HTM was evaluated by tensile testing the compounds. The mixing was performed in a laboratory scale mill. The test tubes were obtained by cutting or die-cutting crosslinked peroxide sheets, these were obtained during the compression molding process. Analysis indicate that the MAPE coupling agent improved the compatibility between HTM and NR, this effect was evidenced by the values of tensile strength and elongation at break. However, the gel content determination indicates that the addition of 10 phr of MAPE crosslinking decreases due to competition with coupling reaction MAPE - HTM.

Rubble stone masonry walls are widely diffused in most of the cultural and architectural heritage of historical cities. The mechanical response of such material is rather complicated to predict due to their composite nature. Vertical compression tests, diagonal compression tests, and shear-compression tests are usually adopted to experimentally investigate the mechanical properties of stone masonries. However, further tests are needed for the safety assessment of these ancient structures. Since the relation between normal and shear stresses plays a major role in the shear behavior of masonry joints, governing the failure mode, triplet test configuration was here investigated. First, the experimental tests carried out at the laboratory (LPMS) of the University of L'Aquila on stone masonry specimens were presented. Then, the triplet test was simulated by using the Total Strain Crack Model, which reflects all the ultimate states of quasi-brittle material such as cracking, crushing and shear failure. The goal of the numerical investigation was to evaluate the shear mechanical parameters of the masonry sample, including strength, dilatancy, normal and shear deformations. Furthermore, the effect of (i) confinement pressure and (ii) bond behavior at the sample-plates interfaces were investigated, showing that they can strongly influence the mechanical response of the walls.

Hydrogen evolution reaction (HER) is one of the most important reaction in electrochemistry. This is not only because it is the simplest way to produce high purity hydrogen and the fact that it is the side reaction in many other technologies. HER actually shaped current electrochemistry because it was in focus of active research for so many years (and it still is). The number of catalysts investigated for HER is immense, and it is impossible to overview them all. In fact, it seems that the complexity of the field overcomes the complexity of HER. The aim of this review is to point out some of the latest developments in HER catalysis, current directions and some of the missing links between a single crystal, nanosized supported catalysts and, recently emerging, single atom catalysts for HER

Under pure diffusive growth conditions, layered peritectic solidification is possible. In reality, the competitive growth of the primary alfa-phase and the peritectic beta-phase revealed some complex peritectic solidification morphologies due to thermo-solutal convection. The binary organic components TRIS-NPG were used as model system for metal-like solidification. The transparency of the high-temperature non-faceted phases allows studying the dynamic of the solid/liquid interface which lead to peritectic solidification morphologies. Investigations were carried out by using the Bridgman technic for process conditions where one or both phases solidify in a non-planar manner. Different growth conditions were observed which led to competitive peritectic growth morphologies. Additionally, the competitive growth was solved numerically to interpret the observed transparent solidification patterns.

To design and optimize liquid-assisted processes such as reactive infiltration for fabricating refractory SiC/ZrSi₂ composites, basic investigations on the interfacial phenomena occurring when liquid Si-based alloys are in contact with C and SiC substrates, are key steps. Indeed, targeted wettability studies may provide helpful indications for finding the suitable set of operating conditions to succeed the fabrication of composites via the reactive infiltration and for predicting the key influencing mechanisms. The wettability of glassy carbon (GC) by two different Si-rich Si-Zr alloys as a function of the Si-content has been investigated by the sessile drop method at T = 1450°C. The more relevant results obtained in terms of equilibrium contact angle values, spreading kinetics, reactivity and developed interface microstructures are reported in the paper and compared with the behaviour previously observed in the Si-27Zr/GC system. The increase of Si-content only weakly affected the overall phenomena observed at the interface, which from the practical point of view means that even the Si-Zr alloys with higher Si-content, as respect to the eutectic alloy (Si-27Zr), could be potentially used as infiltrant materials.

In this paper, the effect of preheating on the mechanical properties and micro structure of similar friction stir welded AA6061 aluminum alloys sheets was investigated. Aluminum alloy 6061 sheets with a thickness of 5 mm and threaded cylindrical pins were used. Rotation and traverse speeds were 1200 rpm and 75 mm/min, respectively. The results of tensile tests performed on the welded samples showed that compared to the non-preheated samples, preheating had increased the strength and elongation of the joints by 58% and 46%, respectively. In the present study, during the welding process preheating cause emerged heat with lower slope from stir zone. This phenomenon may result in Increase the deformation resistance of material and consequently decrease of grain size. This grain refinement can improve the mechanical properties of welds. Accordingly, hardness and strength of the material will be increased.

Nanoparticles (NPs) have various applications in medicine, cosmetics, optics, catalysis, environmental purification, and other areas nowadays. With an increasing annual production of NPs, the risks of their harmful influence to the environment and human health is rising. Currently, our knowledge about the mechanisms of interaction between NPs and living organisms is limited. Additionally, poor understanding of how physical and chemical characteristic and different conditions influence the toxicity of NPs restrict our attempts to develop the standards and regulations which might allow us to maintain the safe living conditions. The marine species and their habitat environment are under continuous stress due to anthropogenic activities which result in the appearance of NPs in the aquatic environment. Our study aimed to evaluate and compare biochemical effects caused by the influence of different types of carbon nanotubes, carbon nanofibers, and silica nanotubes on four marine microalgae species. We have evaluated the changes in growth-rate, esterase activity, membrane polarization, and size changes of microalgae cells using flow cytometry method. Our results demonstrated that toxic effects caused by the carbon nanotubes strongly correlated with the content of heavy metal impurities in the NPs. More hydrophobic carbon NPs with less ordered structure had a higher impact on the red microalgae P. purpureum because of higher adherence between the particles and mucous covering of the algae; silica NPs caused significant inhibition of microalgae growth-rate predominantly produced by mechanical influence.

An improved method for Fluctuation Enhanced Sensing (FES) is introduced. We enhanced the old binary fingerprinting method, where the fingerprint bit values were ± 1, by introducing ternary fingerprints utilizing a reference odor. In the ternary method, the fingerprint bit values are -1, 0, and +1 where the 0 value stands for the situation where the slope of the spectrum is identical to that of the reference odor. The application of the reference odor spectrum makes the fingerprint relative to the reference. This feature increases the information entropy of the fingerprints. The method is briefly illustrated by sensing bacterial odor in cow manure isolates.

The present study focuses on the synthesis, characterization, and investigation of a p-n heterojunction photocatalysis. Titanium dioxide (TiO2) can’t alone induce the photocatalytic water splitting due to its wide bandgap, which decreases its catalytic activity in the visible light. To make redshift of absorptivity for the TiO2, Nickel (Ni)-doped Graphene (rGO) supported TiO2 was synthesized. Several characterization techniques have been employed to validate the composition and the light absorption ability of the prepared photocatalysts including TEM, SEM, EDS, XRD, XPS, and UV-Vis spectroscopy. The characterization revealed successful doping of the Ni and TiO2 on the rGO nanosheet. Moreover, the UV-Vis spectroscopy indicated a significant shift of light absorption toward the visible spectrum. The photon-induced evolution of H2 was remarkably enhanced using the prepared Ni-rGO/TiO2 nanocomposite. Furthermore, the optimum ratio of rGO: TiO2: Ni in the hybrids was 10:1:4, while the higher Ni ratio would decrease the photocatalytic activity. The stability of the photocatalyst was also verified during 8 cycles of photocatalytic reactions. The kinetic study revealed the nature of the integrated reaction and the controlling step governing the reaction sequence. .