Equiatomic CuZr alloy undergoes a martensitic transformation from the B2 parent phase to martensitic phases (P21/m and Cm) below 150 °C. We clarified the effect of the thermal cycling on the morphology and crystallography of martensite in equiatomic CuZr alloy using a transmission electron microscopy. The 10th cycled specimens consisted of different multiple structures at the maximum temperature of DSC measurement: 400 °C and 500°C, respectively. At the maximum temperature 400 °C of DSC measurement, it is composed of the fine plate-like variants, and a lamellar eutectoid structure consisting of Cu10Zr7 and CuZr2 phases on the martensitic variant. Concerning the maximum temperature 500 °C of DSC measurement, it is observed the martensitic structure and the lamellar structure in which the martensitic phase was completely eutectoid transformed. The formation of this lamellar eutectoid structure due to thermal cycling leads to the shift of forward and reverse transformation peaks to low and high temperature side. In addition, new forward and reverse transformation peaks indicating a new transformation appeared by thermal cycling, and the peaks remained around -20 °C. This new martensitic transformation behavior is also discussed.

The thermal stabilizers, lubricant, and plasticizers are three crucial additives for processing poly (vinyl chloride) (PVC). In this study, a new mannitol stearate ester-based aluminum alkoxides (MSE-Al) was designed and synthesized as a novel additive for PVC. The thermal stability and processing performance of PVC stabilized by MSE-Al were evaluated by Congo red test, conductivity measurement, thermal aging test, ultravioletevisible (UV-vis) spectroscopy test, and torque rheometer test. Results showed that the addition of MSE-Al can not only markedly improve the long-term thermal stability of PVC, but also greatly accelerate the plasticizing and decrease the balance torque which demonstrated that MSE-Al possesses the lubricating property. Thus, MSE-Al was demonstrated to be able to provide tri-functional additive roles, e.g., thermal stabilizer, plasticizer, and lubricant. The test results for the thermal stability of PVC indicated that the initial whiteness of PVC stabilized with MSE-Al was not good enough, thus the synergistic effect of MSE-Al with zinc stearates (ZnSt₂) on the thermal stability of PVC was also investigated. The results showed that there exhibited an appreciable synergistic effect between MSE-Al and ZnSt₂. The thermal stabilization mechanism and synergism effect of MSE-Al with ZnSt₂ were then discussed.

Owing to fascinating applications of ZnO in modern devices, it is interesting to explore its more features for future devices. Hence, herein, we have synthesized the high quality ZnO spherical nanoparticles (SNPs) through a facile green synthesis route and robust structural and biomedical studies are carried out. Hexagonal phase with 93.2% crystallinity was confirmed through XRD analysis. ZnO nanoparticles were tested for their bioactivities both in vivo (acute cytotoxicity test) and in vitro (Anti-cancer activities on liver (HepG2) and cervical (Hela) cancer cell lines, stimulatory/inhibitory effects on normal rat splenic cells and hemolytic effects on red blood cells). Results showed that ZnO SNPs has no cytotoxic effects on vital organ like liver and has no hemolytic action on red blood cells. ZnO SNPs showed inhibitory consequence on normal rat splenic cells growth at all tested concentrations. ZnO nanoparticles showed an inhibitory effect on HepG2 cell line. While showed stimulatory effect on Hela cell line. Current study presents the synthesized ZnO SNPs as highly applicable in bio-optoelectronics.

Two 2,2':6',2''-terpyridine-based Schiff bases (TPySSB and TPySB) have been synthesized. The TPySSB shows remarkable selective ‘off-on’ fluorescence for Al³⁺ by photoinduced electron transfer (PET) mechanism of sensing. Chemosensor TPySSB binds Al³⁺ in a 1:2 ratio with an association constant 6.8×10⁵ (R²=0.98) and this 1:2 stoichiometric model is established on Job’s plot and ¹H NMR. Compared TPySSB and TPySB, it is of great importance of the existence of salicylidene unit due to its strong binding abilities of both phenol and C=N structure to the Al³⁺.

In extant biology, biopolymers perform multiple crucial functions. The biopolymers are synthesized by enzyme-controlled biosystems that would not have been available at the earliest stages of chemical evolution and consist of correctly sequenced and/or linked monomers. Some of the abiotic “messy” polymers approximate some functions of biopolymers. Condensation polymers are an attractive search target for abiotic functional polymers since principal polymers of life are produced by condensation and since condensation allows for the accurate construction of high polymers. Herein the formation of hyperbranched polyesters that have been previously used in the construction of enzyme-like catalytic complexes is explored. The experimental setup compares between the branched polyesters prepared under mild continuous heating and the wet-dry cycle conditions. The results reveal that period wetting during which partial hydrolysis of the polyester occurs, helps control the chain growth and retards the gel transition. It is significant to the origin of life studies that environmental, prebiotically plausible conditions could achieve such control without enzymes or a skilled chemist. As expected in marginally controlled systems, the identification of each component of the heterogeneous system has proved challenging, but it is not crucial for drawing the conclusions.

Various methods of polymer surface tailoring have been studied to control the changes in wetting behavior. Polymers having precisely controlled wetting behavior in a specific environment are blessed with a wealth of opportunities and potential applications exploitable in biomaterial engineering. The controlled wetting behavior can be obtained by combining surface chemistry and morphology. Plasma assisted polymer surface modification technique have played a significant part to control surface chemistry and morphology. This review focuses on plasma polymerization and investigations regarding surface chemistry, surface wettability, coating kinetics, as well as coating stability. We begin with brief overview of plasma polymerization; these include growth mechanisms of plasma polymerization and influence of plasma parameters. Next, surface wettability and theoretical background structures and chemistry of superhydrophobic and superhydrophilic surfaces. In this review, overview of recent work on tunable wettability by tailoring surface chemistry and physical appearance (i.e. substrate texture) is also described. The formation of smart polymer coatings, which adjust their surface wettability by according to outside environment, including, pH, light, electric field and temperature. Finally, the applications of tunable wettability and pH responsiveness of polymer coatings in real life are addressed. This review should be of interest to plasma surface science communality specifically focused controlled wettability of smart polymer surfaces.

When focusing on materials science in civil engineering, the current trend is to investigate the use of innovative solutions in order to enhance thermal and energy performances. This trend is amplified with the need for a sustainable development strategy for the construction sector. This paper assesses the integration of a Phase Change Material (PCM) in cement intended for building construction. The key characteristic of PCMs is their capacity to absorb energy and restore it. In building construction, this feature could be harnessed to save energy by incorporating PCMs in the materials used. In this study, passive integration of PCM in cement was tested and thermal properties of such an integration was assessed. The results provide insights into how PCMs affect cement as part of the concrete mixture, thus identifying the contribution of PCM-based cements in concrete mixtures.

In this paper, the effect of Bi₂O₃ doping on the mechanical properties of PbO ceramic pellets was studied. For this purpose, different ratios of Bi2O3/PbO (i.e., xBi2O3–(1-x)PbO, where x is 0, 1, 3, 5, 7 wt%) were fabricated and sintered at 570, 620, and 670°C. Mechanical properties including density, hardness, flexural strength, and sintering of PbO were studied for the aforementioned compositions. Phase compositions, microstructures, and worn surfaces of the composites were characterized by scanning electron microscopy and X-ray diffraction (XRD). The XRD analysis revealed that a solid solution formed in the composite ceramic. The best suited conditions of temperature and doping of Bi₂O₃ for optimal sintering are 620°C and 3 wt%, respectively. The hardness of the 3 wt% Bi2O3–97 wt% PbO ceramic was 717 MPa, which is about four times higher than the hardness of pure PbO; in addition, the strength of the composites was 43 MPa, which is two times higher than that of pure PbO. The integrity of the composites was verified using the lead–bismuth eutectic alloy flushing experiment. Results of this research paper are important for future studies of oxygen control in the lead–bismuth eutectic alloy of lead-cooled fast reactors.

(-)-Zeylenone is a promising cytotoxic agent，which is a natural product isolated from Uvaria grandiflora Roxb. Though substantial antitumor mechanism has been researched , little has focused on its enantiomer (+)-Zeylenone.This article will try to find a gram scale synthesis method of (+)-Zeylenone and explain the structure-activity relationship of this kind of compound. Total synthesis of (+)-zeylenone was completed in 13 steps with quinic acid as starting material in 8.8% overall yield. The highlight of the route was the control of the three carbon’s chirality by clever use of single step dihydroxylation under the direction of the key C-3 chirality. In addition, zeylenone derivatives were designed and synthesized and their antitumor activity were evaluated against three human cancer cell lines using the CCK8 assay. Structure-activity relationship suggested compounds with both two absolute configurations exhibited good activity. Besides, hydroxyls at C-1/2 position were crucial for the activity and esterification of C-1 hydroxyl with large groups made the activity disappeared. Hydroxyl at C-3 position was also important as proper ester substituent could increase the potency.

Ucuùba fat is fat obtained from a plant found in South America, mainly in Amazonian Brazil. Due to its biocompatibility and bioactivity, the Ucuùba fat was used for production of ketoconazole-loaded nanostructured lipid carriers (NLC) in view of an application for the treatment of onychomycosis and other persistent fungal infections. The development and optimization of the Ucuùba fat based NLC were performed using a Box-Behnken design of experiment. The independent variables were surfactant concentration (% w/v), liquid lipids concentration (% w/v), solid lipids concentration (% w/v), while the outputs of interest were particle size, polydispersity index (PDI) and drug encapsulation efficiency (EE). The Ucuùba fat based NLC were produced and the process optimized determining a predictive mathematical model. Applying the model, two formulations with the pre-required particle size, i.e., 30 and 85 nm, were produced for further evaluation. The optimized formulations were characterized and showed a particle size in agreement to the predicted value, i.e. 33.6 nm and 74.6 nm, respectively. The optimized formulations were also characterized using multiple techniques in order to investigate the solid state of drug and excipients (DSC and XRD), particle morphology (TEM) and interactions between the formulation components (FTIR). Furthermore, particle size and surface charge of the formulations was studied during a one-month stability study and did not evidence any significative modification during storage.

Low-temperature processed ITO thin films offer the potential of overcoming the doping limit by suppressing the equilibrium of compensating oxygen interstitial defects. To elucidate this potential, electrical properties of Sn-doped In₂O₃ (ITO) thin films are studied in dependence on film thickness. In-operando conductivity and Hall effect measurements during annealing of room temperature deposited films with different film thickness in different environments allow to discriminate between the effects of crystallization, grain growth, donor activation and oxygen diffusion on carrier concentrations and mobilities. At 200 °C, a control of carrier concentration by oxygen incorporation or extraction is only possible for very thin films. The electrical properties of thicker films deposited at room temperature are mostly affected by grain size. The remaining diffusivity of compensating oxygen defects at 200 °C is sufficient to screen the high Fermi level induced by deposition of Al₂O₃ using atomic layer deposition (ALD), which disables the use of defect modulation doping at this temperature. The results indicate that achieving higher carrier concentrations requires a control of the oxygen pressure during deposition in combination with seed layers to enhance crystallinity or the use of near room temperature ALD.

Experimental optimization of analytical methods based on solid-phase microextraction (SPME) is a complex and labor-intensive process associated with uncertainties. Using the theoretical basics of SPME and finite element analysis software for the optimization proved to be an efficient alternative. In this study, an improved finite element analysis-based model for SPME of volatile organic compounds (VOCs) by porous coatings was developed mainly focussing on the mass transport in coatings. Benzene and the Carboxen/polydimethylsiloxane (Car/PDMS) coating were used as the model VOC and a porous SPME coating, respectively. It has been established that in the coating, volumetric fractions of Carboxen, PDMS, and air are 33, 42 and 24%, respectively. Knudsen diffusion in micropores can slow down a mass transport of analytes in the coating. When PDMS was considered as the solid part of the coating, lower root-mean-square deviation of the modeling results from experimental data was observed. It has been shown that the developed model can be used to model the extraction of VOCs from air and water samples encountered in a typical SPME development method procedure. It was possible to determine system equilibration times and use them to optimize sample volume and Henry’s law constant. The developed model is relatively simple, fast, and can be recommended for optimization of extraction parameters for other analytes and SPME coatings. The diffusivity of analytes in a coating is an important property needed for improved characterization of existing and new SPME polymers and analytical method optimization.

The authors determined mass concentrations of 12 elements (As, Cd, Cr, Cu, Mn, Ni, Pb, Se, Sr, Tl, V, Zn) in blood and urine taken from 100 rural children living in unremarkable condition in the West Ural region of the Russian Federation. We applied inductively coupled plasma mass spectrometry in conformity with Methodical Guidelines 4.1. 3230-14 (FR.1.31.2014.17064) designed by us and detailed in the paper. The article contains setting parameters for Agilent 7500cx quadrupole inductively coupled plasma mass spectrometer . The authors present grounds for an optimal scheme of samples preparation which helps to eliminate "matrix" effect and explain why it is advisable to use reaction/collision functioning mode as it enables interference overlaps suppression.To prepare whole blood samples for analysis, we used acid dissolution in concentrated nitric acid followed by centrifugation. The arithmetic mean (AM) of element content in blood amounted to 0.34 µg/l (As); 0.39 µg/l (Cd); 6.41 µg/l (Cr); 866.11 µg/l (Сu); 13.73 µg/l (Mn); 5.86 µg/l (Ni); 23.65 µg/l (Pb); 87.43 µg/l (Se); 33.54 µg/l (Sr); 0.04 µg/l (Tl); 0.16 µg/l (V); 4713.48 µg/l (Zn). The validity of the results was confirmed by means of SERONORM ^TM Whole Blood L2 standard samples (Norway). Urine samples were directly analyzed after 1/10 (V/V) dilution with 1% nitric acid solution. The arithmetic mean of element content of urine corresponded to 18.99 µg/l (As); 0.12 µg/l (Cd); 1.91 µg/l (Cr); 13.28 µg/l (Сu); 0.96 µg/l (Mn); 1.84 µg/l (Ni); 0.83 µg/l (Pb); 22.55 µg/l (Se); 239.09 µg/l (Sr); 0.16 µg/l (Tl); 0.68 µg/l (V); 270.56 µg/l (Zn). The validity of the results was confirmed by analyzing the SERONORM ^TM standard urine samples (Norway). Regional differences from levels found in other countries included higher concentrations of Cr, Mn and Ni in blood and lower levels of Se and Zn levels in West Ural children. Urine concentrations of West Ural children showed higher levels of As and Sr.

Crosslinking of proteins for their irreversible immobilization on surfaces is a proven and popular method. However, many protocols lead to random orientation and the formation of undefined or even inactive by-products. Most concepts to obtain a more targeted conjugation or immobilization requires the recombinant modification of at least one binding partner, which is often impractical or prohibitively expensive. Here a novel method is presented, which is based on the chemical preactivation of Protein A or G with selected conventional crosslinkers. In a second step, the antibody is added, which is subsequently crosslinked in the Fc part. This leads to an oriented and covalent immobilization of the immunoglobulin with a very high yield. Protocols for Protein A and Protein G with murine and human IgG are presented. This method may be useful for the preparation of columns for affinity chromatography, immunoprecipitation, antibodies conjugated to magnetic particles, permanent and oriented immobilization of antibodies in biosensor systems, microarrays, microtitration plates or any other system, where the loss of antibodies needs to be avoided, and maximum binding capacity is desired. This method is directly applicable even to antibodies in crude cell culture supernatants, raw sera or protein-stabilized antibody preparations without any purification nor enrichment of the IgG. This new method delivered much higher signals as a traditional method and, hence, seems to be preferable in many applications.

Systems Chemistry has been a key component of origin of life research, invoking models of life’s inception based on evolving molecular networks. One such model is the Graded Autocatalysis Replication Domain (GARD) formalism embodied in a Lipid World scenario, which offers rigorous computer simulation based on defined chemical kinetics equations. GARD suggests that the first pre-RNA life-like entities could have been homeostatically-growing assemblies of amphiphiles, undergoing compositional replication and mutations, as well as rudimentary selection and evolution. Recent progress in Molecular Dynamics has provided an experimental tool to study complex biological phenomena such as protein folding, ligand-receptor interactions and micellar formation, growth and fission. The detailed molecular definition of GARD and its inter-molecular catalytic interactions make it highly compatible with Molecular Dynamics analyses. We present a roadmap for simulating GARD’s kinetic and thermodynamic behavior using various Molecular Dynamics methodologies. We review different approaches for testing the validity of the GARD model, by following micellar accretion and fission events and examining compositional changes over time. Near future computational advances could provide empirical delineation for further system complexification, from simple compositional non-covalent assemblies towards more life-like protocellular entities with covalent chemistry that underlies metabolism and genetic encoding.

Samples of sunflower Waste Cooking Oils (WCOs) subjected to several cycles of frying were treated with water under four different combinations of temperature and pH. The variation of the chemical composition of the oil samples was monitored through headspace Solid-Phase Microextraction (HS-SPME) coupled with gas-chromatographic technique (GC), ¹H NMR spectroscopy and ESI⁺ mass spectrometry measurements. The possibility to modify the chemical composition of the recycled vegetable oil by tuning the water treatment parameters was exploited for the designing of a mini-plant for the production of bio-lubricants. A full description of the proposed prototype is also reported.

Grape foods fermented with probiotics are sources of beneficial bacteria for the GI tract and also have a high antioxidant capacity. The addition of probiotics to ferment food has always been a traditional process; therefore, probiotic dairy and non-dairy products might contribute to a daily antioxidant diet to improve consumers’ life quality and health. This research was undertaken to determine the viability of 4 wild isolates of Lactobacillus for storage at 5 and 25ºC within 90 days in simulated synthetic grape media and a standard grape marmalade formulation. Changes in active culture numbers, pH level, glucose concentration, and antioxidant properties were evaluated. Most of the isolates demonstrated higher growth in the grape marmalade than the synthetic grape marmalade, which was greater than 7 Log cfu/g within 90 days of storage at 5ºC. In addition, most of the wild isolates grew beyond the critical count of 106 cfu/g in sampling between 60 and 90 days of storage. Moreover, fermented grape marmalade with probiotics showed a strong antioxidant capacity that failed to differ significantly with the synthetic medium. The study confirmed L. paraplantarum, L. plantarum, W. paramesenteroides, and E. feacalis were ideal probiotics for fermentation process of grape marmalade.

Flavonoids, polyphenols with anti-oxidative activity have high potential as novel therapeutics for neurodegenerative disease, but their applicability is rendered by their poor water solubility and chemical instability under physiological conditions. In this study, this is overcome by delivering flavonoids to model cell membranes (unsaturated DOPC) using prepared and characterized biodegradable mesoporous silica nanoparticles, MSNs. Quercetin, myricetin and myricitrin have been investigated in order to determine the relationship between flavonoid structure and protective activity towards oxidative stress i.e. lipid peroxidation induced by addition of hydrogen peroxide and/or Cu²⁺ ions. Among investigated flavonoids, quercetin showed the most enhanced and prolonged protective anti-oxidative activity. The nanomechanical (Young modulus) measurement of the MSNs treated DOPC membranes during lipid peroxidation confirmed attenuated membrane damage. By applying combination of experimental techniques (AFM, force spectroscopy, ELS, DLS), this work generated detailed knowledge about the effects of flavonoid loaded MSNs on the elasticity of model membranes, especially under oxidative stress conditions. Results from this study will pave the way towards the development of innovative and improved markers for oxidative stress-associated neurological disorders. In addition, the obtained could be extended to designing effective delivery systems of other high potential bioactive molecules with an aim to improve human health in general.

When we were working on improving the resistance to deep abrasion of porcelain stoneware tiles, several tiles which had a very high resistance to abrasion were found in the market. The abraded volume of these tiles, measured via ISO 10545-6 method, was conspicuously less than 75 mm³. These values were well below the standard limit (<175 mm³) and reported values in the literature (>110 mm³). We determined the chemical, physical and microstructural characteristics of these tiles and other commercially available ones to find the relationship between the abrasion resistance and the technical specifications. We also characterized the samples by Vickers microhardness (VH), X-ray diffraction (XRD), mercury intrusion porosimetry (MIP) and scanning electron microscopy (SEM). It was observed that the high resistance to abrasion could be due to the presence of an adequate glassy phase capable of wetting all the hard crystalline phases in the matrix such as quartz and mullite. Therefore, the resistance to deep abrasion could be improved by increasing the amount of “vitreous” matrix, without altering the content of "hard" phases considerably well-bonded to the matrix.

Butyl rubber-based composite (BRC) is one of the most popular materials for the fabrication of protective glove against chemical and mechanical risks. However, in many working places such as metal manufacturing or automotive mechanical services, its mechanical hazards usually appear together with metalworking fluids (MWFs). The presence of these contaminants, particularly at high temperature, could modify its properties due to the scission, the plasticization, the crosslinking of polymer network and thus led to severe modification of mechanical and physicochemical properties of material. This work aims to determine the effect of temperature and a metalworking fluid on mechanical behavior of butyl rubber composite dealing with crosslinking density, cohesion forces and elastic constant of BRC on the based on Mooney-Rivlin’s theory. The effect of temperature with and without MWFs on thermo dynamical properties and morphology of butyl membranes is also investigated. The prediction of service lifetime is then evaluated from extrapolation of Arrhenius plot at different temperatures.

Silymarin, a mixture of flavonolignan and flavonoid polyphenolic compounds extractable from the milk thistle seed, Silybum marianum, has anti-oxidant, anti-inflammatory, anti-cancer and anti-viral activities potentially useful in the treatment of several liver disorders, such as chronic liver diseases, cirrhosis and hepatocellular carcinoma. Equally promising are the effects of silymarin in protecting the brain from the inflammatory and oxidative stress effects by which metabolic syndrome contributes to neurodegenerative diseases. However, despite clinical trials have proved that silymarin is safe at high doses (>1500 mg/day) in humans, it suffers limiting factors such as low solubility in water (<50 μg/mL), low bioavailability and poor intestinal absorption. To improve its bioavailability and provide a prolonged silymarin release at the site of absorption, the use of nanotechnological strategies appears to be a promising method to potentiate the therapeutic action and promote sustained release of the active herbal extract. The purpose of this study is to review the different nanostructured systems available in literature as delivery strategies to improve the absorption and bioavailability of silymarin.

A detailed analysis of the dehydrogenation mechanism and reversibility of LiBH₄ doped by active Al* derived from AlH₃ was performed by thermogravimetry (TG), differential scanning calorimetry (DSC), mass spectral analysis (MS), powder X-ray diffraction (XRD), scanning electronic microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR). The results show that the dehydrogenation of LiBH₄/Al* is a five-step reaction: (1) LiBH₄ + Al → LiH + AlB₂ + “Li-Al-B-H” + B₂H₆ + H₂; (2) the decomposition of "Li-Al-B-H" compounds liberating H₂; (3) 2LiBH₄ + Al → 2LiH + AlB₂ + 3H₂; (4) LiBH₄ → LiH + B + 3/2H₂; (5) LiH + Al → LiAl + 1/2H₂. And the reversibility of LiBH₄/Al* composite is based on equation as follows: LiH + LiAl + AlB₂ + 7/2H₂ ↔ 2LiBH₄ + 2Al. The extent of dehydrogenation reaction between LiBH₄ and Al* greatly depends on the precipitation and growth of reaction products (LiH, AlB₂ and LiAl, etc.) on the surface of Al*. A passivation shell of Al* formed by these products is the kinetic barrier to the dehydrogenation of LiBH₄/Al* composite.

We have studied on the stress measurement by making use of salivary nitrate, which can be a candidate of stress markers, with ion-selective field-effect transistors (ISFETs). ISFETs are suitable for on-site single-drop analysis of salivary nitrate within 10 seconds. However, when ISFETs are used for salivary nitrate, ISFETs have a problem which is called the initial drift. The initial drift makes it difficult for determination of an accurate nitrate monitoring. Thus, the purpose of this study is to suppress an initial drift and to search for new easy polymer to possess more performance of sensor responses than conventional matrix membrane such as PVC. In this research, we investigated ISFETs using specific matrix membrane for example, KP-13, Pellethane^® and P7281-PU. The initial drift was evaluated from the fluctuation of the response values generated by ISFETs which are immersed in saliva or aqueous solution. As a result, P7281-PU showed its suppression effect for the initial drift in the whole saliva and various solutions. Furthermore, the cause of drift may be H⁺ diffusion, and drift suppression effect of P7281-PU may be affected by urethane bond capturing H⁺ in ion-selective membrane. This result suggests a continuous nitrate monitoring and development of wearable sensors.

This paper describes a novel methodology of data management in materials characterisation, which has as starting point the creation and usage of Data Management Plan (DMP) for scientific data in the field of materials science and engineering, followed by the development and exploitation of ontologies for the harnessing of data created through experimental techniques. The case study that is discussed here is nanoindentation, a widely used method for the determination and/or modelling of mechanical properties on a small scale.The same methodology can be applicable to a large number of techniques that produce big amount of raw data, while at the same time it can be invaluable tool for big data analysis and for the creation of an open innovation environment, where data can be accessed freely and efficiently.Aspects covered include the taxonomy and curation of data, the creation of ontology and classification about characterization techniques, the harnessing of data in open innovation environments via database construction along with the retrieval of information via algorithms. The issues of harmonization and standardization of such novel approaches are also critically discussed.Finally, the possible implications for nanomaterial design and the potential industrial impact of the new approach are described and a critical outlook is given.

According to research, we have learned that Mg and TiO2 are new types material of marine protective coatings. We found that the addition of Mg can improve the performance of Zn-Al coating passivation film, and TiO2 has excellent photocatalytic self-cleaning performance. In this paper Zn-Al pseudo alloy coating was prepared by cold spray technique, and Zn-Al-Mg-TiO2 pseudo alloy composite coating was prepared by adding Mg and nano-TiO2. The effects of Mg and TiO2 to the marine protective properties of Zn-Al coatings were studied by friction and wear test, dynamic salt water corrosion test, electrochemical test, scanning electron microscope(SEM), energy dispersive spectrometer(EDS) and super deep scene 3D microscope. The results show that the addition of Mg and nano-TiO2 not only fills the gap of the coating and improves the density of the coating, but also generates grid-like flocculent corrosion products on the surface of the coating which can gather other corrosion products to improve the density of corrosion products, reduce the friction coefficient and corrosion rate of the coating surface, effectively prevent the invasion of Cl- in solution, and improve the wear and corrosion resistance of the coating.

The consideration toward Waste Cooking Oils (WCOs) is changing from hazardous waste to valuable raw material for industrial application. During the last five years some innovative processes based on the employment of recycled WCO have appeared in the literature. In the present review article, the most recent applications of recycled Waste Cooking Oil are reported and discussed. These include the production of bio-plasticizers, the application of chemicals derived from WCOs as energy vectors, and the use of WCOs as solvent for pollutant agents.

Hydrogels incorporated with hydrophobic motifs have received considerable attention to recapitulate the cellular microenvironments, specifically for the bio-mineralization of a 3D matrix. Introduction of hydrophobic motifs into a hydrogel often results in irregular arrangement of the motifs, and further phase separation of hydrophobic domains, but limited efforts have been made to resolve this challenge in the hydrophobically-modified hydrogel. Therefore, this study presents an advanced integrative strategy to incorporate hydrophobic domains regularly in a hydrogel by self-assembling of polymer cross-linkers, building blocks of a hydrogel. Self-assemblies between polymer cross-linkers were examined as micro-domains to incorporate hydrophobic motifs in a hydrogel. The self-assembled structures in a pre-gelled solution were confirmed with the fluorescence analysis and the hydrophobicity of a hydrogel could be tuned by incorporating the motifs in a controlled manner. Overall, the results of this study would greatly serve to tuning performance of a wide array of hydrophobically-modified hydrogels in drug delivery, cell therapies and tissue engineering.

Abstract: Microstructural and mechanical properties of the eutectic Sn58Bi and micro-alloyed Sn57.6Bi0.4Ag solder alloys were compared. With the addition of Ag micro-alloy, the tensile strength was improved and this is attributed to a combination of microstructure refinement and an Ag3Sn precipitation hardening mechanism. However, ductility is slightly deteriorated due to the brittle nature of the Ag3Sn intermetallic compounds (IMCs). Additionally, a board level reliability study of Ag micro-alloyed Sn58Bi solder joints produced utilising a surface-mount technology (SMT) process, were assessed under accelerated temperature cycling (ATC) conditions. Results reveal that micro-alloyed Sn57.6Bi0.4Ag has a higher characteristic lifetime with a narrower failure distribution. This enhanced reliability corresponds with improved bulk mechanical properties. It is postulated that Ag3Sn IMCs are located at the Sn-Bi phase boundaries and suppress the solder microstructure from coarsening during the temperature cycling, hereby extending the time to failure.

A series of Ti₄₀Zr₂₅Cu₉Ni₈Be₁₈)_100-xTM_x (x = 0, 1, 2, 3, 4 at.%, TM = Nb, Y) Bulk amorphous alloys were designed and prepared using the copper mold casting method. The microstructures, glass forming ability and mechanical properties of the alloys were investigated by means of X-ray diffractometry (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), differential scanning colorimetry (DSC), depth-sensitive nanoindentation and uniaxial compressive test. The Bulk amorphous alloys with different ductility were investigated by measuring their plastic deformation energy (PDE) of the first pop-in events during loading. The relationships between the PDE value, shear band formation and ductility in Bulk amorphous alloys have been investigated. The results show that the PDE value decreases by the Nb addition and promotes the generation of multiple shear bands easily, which increase the fracture strength and plasticity significantly. Substituting Nb with Y has exactly the reverse effect. A useful rule for preparing of Bulk amorphous alloys with high plasticity is herein proposed, whereby the chemical composition of the Bulk amorphous alloys can be tailored to possess a lower PDE value.

Electrodeposition of cadmium telluride (CdTe) on fluorine doped tin oxide (FTO) using two electrode configuration was successfully achieved with the main focus on the growth temperature. The electroplating temperatures explored ranges between (55 and 85)℃ for aqueous electrolytes containing 1.5 M cadmium nitrate tetrahydrate (Cd(NO3)2 •4H2O) and 0.002 M tellurium oxide (TeO2). The ensuing CdTe thin-films were characterised using X-ray diffraction (XRD), UV-Vis spectrophotometry, scanning electron microscopy (SEM), energy dispersive X-ray (EDX) and photoelectrochemical (PEC) cell measurements. The electroplated CdTe thin-films exhibit a dominant (111) CdTe cubic structure, while the crystallite size increases with the increase in the electroplating temperature. The internal strain, dislocation density and the number of crystallites per unit area decrease with increasing growth temperature. The optical characterization depicts that the CdTe samples show comparable absorbance and a resulting bandgap of 1.51±0.03 eV for as-deposited CdTe layers. A marginal increase in the bandgap and reduction in the absorption edge slope towards lower deposition temperatures were also revealed. The annealed CdTe thin-films showed improvement in energy bandgap as it tends towards 1.45 eV while retaining the aforementioned absorption edge slope trend. Scanning electron microscopy shows that the underlying FTO layers are well covered with increasing grain size observable relative to the increase in the deposition temperature. The energy dispersive X-ray analyses show an alteration in the Te/Cd relative to the deposition temperature. Higher Te ratio with respect to Cd was revealed at deposition temperature lower than 85℃. The photoelectrochemical cell study shows that both p- and n-type CdTe can be electroplated and that deposition temperatures below 85℃ at 1400 mV results in p-type CdTe layers.

Transdermal alcohol biosensors have the ability to detect the alcohol that emanates from the bloodstream and diffuses through the skin. However, they have suffered from long-term fouling of the sensor element and drift in the resulting sensor readings over time. Here, we report a disposable cartridge platform that solves the problem of sensor fouling, and an enzymatic detection pathway that minimizes baseline drift for sensitive detection. Laboratory characterization of the enzymatic alcohol sensor demonstrates a linear sensor range of between 0 and 50 mM. Further, we show continuous transdermal alcohol data recorded with a human subject over 48 hours.

The way in which a perforated structure is formed has attracted much interest in the porous membrane research community. This novel structure gives materials an excellent antifouling property as well as a low operating pressure and other benefits. Unfortunately, the current membrane fabrication methods usually involve multi-step processes and the use of organic solvents or additives. Our study is the first to offer a way to prepare perforated membrane by using a physical foaming technique with CO₂ as the blowing agent. We selected thermoplastic polyurethane (TPU) as the base material because it is a biocompatible elastomer with excellent tensility, high abrasion resistance, and good elastic resilience. Various processing parameters, which included the saturation pressure, the foaming temperature, and the membrane thickness, were applied to adjust the TPU membrane’s perforated morphology. We proposed a possible formation mechanism of the perforated membrane. The as-prepared TPU membrane had good mechanical properties with a tensile strength of about 5 MPa and an elongation at break above 100%. Such mechanical properties make this novel membrane usable as a self-standing filter device. In addition, its straight-through channel structure can separate particles and meet different separation requirements.

In recent years, polyureas with dynamic hindered urea bonds (HUBs), as a class of promising biomedical polymers, have attracted attention as a benefit of their controlled hydrolytic property. The effect of the chemical structures on the properties of polyureas and their assemblies was rarely reported. In this study, four kinds of polyureas with different chemical groups have been synthesized, and the polyurea from cyclohexyl diisocyanate and tert-butyl diamine showed the fastest hydrolytic rate. The amphiphilic polyurea composed of hydrophobic cyclohexyl-tert-butyl polyurea and hydrophilic poly(ethylene glycol) was synthesized for controlled delivery of antitumor drug paclitaxel (PTX). The PTX-loaded PEGylated polyurea micelle more effectively entered into the murine breast cancer 4T1 cells and inhibited the corresponding tumor growth in vitro and in vivo. Therefore, the PEGylated polyurea with adjustable degradation might be a promising polymer matrix for drug delivery.

In the study, a new correction method was applied to reduce error during detection on mixed pesticide residue in apples by using Raman spectra. Combined with self-built pesticide residues detection system by Raman spectroscopy and the application of surface enhancement technology, rapid real-time qualitative and quantitative analysis of deltamethrin and acetamiprid residues in apples can be applied effectively. In quantitative analysis, compared with the intensity value of characteristic peaks of single pesticide with same concentration, the intensity value of characteristic peaks of the two pesticides decreased after mixing the pesticides, which interferes the results severely. By comparing the difference in the intensity of characteristic peaks of single and mixed pesticides, a correction method is proposed to eliminate the influence of pesticides mixture. Characteristic peak intensity values of gradient concentration pesticide from 10-1 g•kg-1 to 10-6 g•kg-1 and Lagrangian interpolation are applied in the correction method. And a smooth surface is applied to describe the correction ratio of characteristic peak intensity. Through detecting the characteristic peak intensity values of the mixed pesticide, correction ratio will be obtained. Then real values of the peak intensity of pesticides and the content of each component of the mixed pesticide will be acquired by the correction method. Correlation coefficient of model validation exceeds 0.88 generally and Root Mean Square Error also decreases obviously after correction, which proved the reliability of the method.

Production of wastewater related to the oil and gas industries is increasing over the years. The compounds found in industrial wastewater typically show high toxicity, and in this way, they have become a primary environmental concern. Several techniques have been applied in industrial effluents remediation. In spite of the efforts, these techniques are yet ineffective to treat oily wastewater before it can be discharged safely to the environment. Membrane technology is an attractive approach to treat oily wastewater. This is dedicated to the immobilisation of TiO2 nanoparticles on poly (vinylidene fluoride–trifluoro ethylene) (PVDF-TrFE) porous matrix by solvent casting. Membranes with interconnected pores with an average diameter of 60 micrometres and the contact angle of 97°, decorated with TiO2 nanoparticles, are obtained. The degradation of oily wastewater demonstrated the remarkable photocatalytic efficiency of the nanocomposite membranes: under sunlight irradiation for 7 hours, colourless water was obtained. These results show the suitability of TiO2/P(VDF–TrFE) nanocomposite for photocatalytic applications for oily wastewater remediation.

In the present paper, Co-B/SiC composite coatings were obtained via electrodeposition from colloidal suspensions with different concentrations of SiC particles and subsequent heat treatments at 350 °C. The composition, morphology and structure of the Co-B/SiC composite coatings were analyzed using glow discharge spectrometry (GDS), scanning electron microscopy (SEM) coupled with energy-dispersive spectroscopy (EDS) and X-ray diffraction (XRD). Hardness and tribological properties were also studied. The results showed that an increase in the SiC concentration in the colloidal suspensions resulted in both an increase in the SiC content and a decrease in the B content in the obtained Co-B/SiC coatings. The Co-B/SiC coatings were adherent, glossy and soft and exhibited a homogeneous composition in all thicknesses. By contrast, an increase in the SiC particle content of the Co-B/SiC composite coating from 0 to 2.56 at.% SiC reduced the hardness of the film from 680 to 360 HV and decreased the wear volume values from 1180 to 23 mm³ N^-1 m^-1, respectively (that is, the wear resistance increased). Moreover, when the Co-B/SiC coatings with SiC content ranging from 0 to 2.56 at.% SiC were subjected to a heat treatment process, the obtained coating hardness values were in the range of 1200 to 1500 HV and the wear volume values were in the range of 382 to 19 mm³ N^-1 m^-1.

We report the development of an extrinsic self-healing coating system that shows no fluorescence from the intact coating, yellowish fluorescence in cracked regions, and greenish fluorescence in healed regions, thus allowing the separate monitoring of cracking and healing of coatings. This fluorescence monitoring self-healing system consisted of a top coating, an epoxy matrix resin containing mixed dye-loaded in single microcapsule. The dye-loaded microcapsules consisted of a poly(urea-formaldehyde) shell encapsulating a healing agent containing MAT-PDMS and styrene, a photo-initiator and a mixture of two dyes, one that fluoresces only in the solid state (DCM) and a second that fluoresces dramatically increased in the solid than solution state (4-TPAE). A mixture of the healing agent, photo-initiator and the two dyes was yellow due to fluorescence from DCM. On UV curing of this mixture, however, the color changed from yellow to green and the fluorescence intensity increased due to fluorescence from 4-TPAE in the solid state. When a self-healing coating embedded with microcapsules containing the DCM/4-TPAE dye mixture was scratched, the damaged region exhibited a yellowish color that changed to green after healing. Thus, the self-healing system reported here allows the separate monitoring of cracking and healing based on changes in fluorescence color.

The bio-oil was largely produced by thermal pyrolysis of Jatropha-derived biomass wastes (denoted as Jatropha bio-oil) using a Pilot Plant with a capacity of 20 kg h-1 at Thailand Institute of Scientific and Technological Research (TISTR), Thailand. Jatropha bio-oil is an unconventional type of bio-oil, which is mostly composed of fatty acids, fatty acid methyl esters, fatty acid amides and derivatives, and consequently it contained large amounts of heteroatoms (oxygen ~ 20 wt.%, nitrogen ~ 5 wt.%, sulfur ~ 1000 ppm.). The heteroatoms, nitrogen especially, are highly poisonous to the metal or sulfide catalysts for upgrading of Jatropha bio-oil. To overcome this technical problem, we reported a stepwise strategy for hydrotreating of 100 wt% Jatropha bio-oil over mesoporous sulfide catalysts of CoMo/γ-Al2O3 and NiMo/γ-Al2O3 to produce drop-in transport fuels, such as gasoline- and diesel-like fuels. This study is very different from our recent work on co-processing of Jatropha bio-oil (ca. 10 wt%) with petroleum distillates to produce a hydrotreated oil as a diesel-like fuel (Chen et al., Catalysts 2018, 8, 59; http://dx.doi.org/10.3390/catal8020059). Jatropha bio-oil was pre-treated through a slurry-type high pressure reactor under severe condition, resulting in a pre-treated Jatropha bio-oil with relatively low amounts of heteroatoms (oxygen < 20 wt.%, nitrogen < 2 wt.%, sulfur < 500 ppm.). The light and middle distillates of pre-hydrotreated Jatropha bio oil was then separated by distillation at temperature below 240 oC, and the temperature of 240-360 oC. Deep hydrotreating of light distillates over sulfide CoMo/γ-Al2O3 catalyst was performed on a batch-type high pressure reactor at 350 oC and 7 MPa of H2 gas for 5 h. The hydrotreated oil was a gasoline-like fuel, which contained 29.5 vol.% of n-paraffins, 14.4 vol.% of iso-paraffins, 4.5 vol.% of olefins, 21.4 vol. % of naphthene compounds and 29.6 wt.% of aromatic compounds, and little amounts of heteroatoms (nearly no oxygen and sulfur, and less than 50 ppm of nitrogen), corresponding to an octane number of 44, and it would be suitable for blending with petro-gasoline. The hydrotreating of middle distillates over sulfide NiMo/γ-Al2O3 catalyst using the same reaction condition produced a hydrotreating oil with diesel-like composition, low amounts of heteroatoms (no oxygen and less than 50 ppm of sulfur and nitrogen), and a cetane number of 60, which would be suitable for use in drop-in diesel fuel.

We have proposed a data-driven approach for designing mesoscale porous structures of Li-ion battery electrode with three-dimensional virtual structures and machine learning techniques. Over 2,000 artificial 3D structures assuming positive electrode composed of random packed spheres as active material particles are generated, and charge/discharge resistance has been evaluated using simplified Physico-chemical model. In this model, resistance from Li diffusion in active material particles (diffusion resistance), transfer resistance of Li+ in electrolyte (electrolyte resistance) and reaction resistance on the interface between active material and electrolyte are simulated based on mass balance of Li, Ohm’s law in and linearized Butler-Volmer equation, respectively. Using these simulation results, regression models via Artificial Neural Network (ANN) have been created in order to predict charge/discharge resistance from porous structure features. In this study, porosity, active material particle size and volume fraction, pressure in the compaction process, electrolyte conductivity, and binder volume fraction are adopted as features, associated with controllable process parameters for manufacturing battery electrode. As results, the predicted electrode resistance by ANN regression model is good agreement with the simulated values. Furthermore, sensitivity analysis and optimization of the process parameters have been carried out. The proposed data-driven approach could be a solution as a guiding principle for manufacturing battery electrode.

A new di-mannitol adipate ester-based zinc metal alkoxide (DMAE-Zn) was synthesized as a bi-functional PVC thermal stabilizer for the first time. The materials were characterized with Fourier-transform Infrared spectroscopy (FT-IR) and thermogravimetric analysis (TGA). Characterization results confirmed the formation of Zn-O bonds in DMAE-Zn; and that DMAE-Zn had a high decomposition temperature and a low melting point. The thermal stability of DMAE-Zn on PVC also was tested by conductivity test, thermal aging test, and UV-visible spectroscopy (UV-VIS) test. PVC stabilized by DMAE-Zn had a good initial color and excellent long-term stability. UV-VIS also showed that the conjugated structure in PVC stabilized by DMAE-Zn was almost all of the triene, suggesting that the addition of DMAE-Zn would suppress the formation of conjugated structures above tetraene. Dynamic processing performance of PVC samples tested by torque rheometer indicated that, having a good compatibility with PVC chains in the amorphous regions, DMAE-Zn contributed good plasticizing effect to PVC. DMAE-Zn thus effectively demonstrates bi-functional roles, e.g., thermal stabilizers and plasticizers to PVC. Furthermore, FT-IR, HCl absorption capacity test, and complex ZnCl₂ test were also used to verify the thermal stability mechanism of DMAE-Zn for PVC.

Fructus Amomi (FA) is usually regarded as the dried ripe fruits of Amomum villosum Lour. (FAL) or Amomum villosum Lour. var. xanthioides T. L.Wu et Senjenis (FALX) However, FAL, which always has a much higher price because of its better quality, is confused with FALX in the market. As volatile oil is the main constituent of FA, a strategy of chromatography-mass spectrometry (GC-MS) and chemometric approches was applied to compare the chemical composition of FAL and FALX. The results showed that the oil yield of FAL was significantly higher than that of FALX. Total ion chromatograph (TIC) showed that cis-nerolidol existed only in FALX. Bornyl acetate and camphor, could be considered as the most important ones in FAL and FALX respectively. Moreover, hierarchical cluster analysis (HCA) and principal component analysis (PCA) successfully distinguished the chemical constitutes of the volatile oils in FAL and FALX. Additionally, bornyl acetate, α-cadinol, linalool, β-myrcene, camphor, d-limonene, terpinolene and endo-borneol were selected as the potential markers for discriminating FAL and FALX by partial least squares discrimination analysis (PLS-DA). In conclusion, this present study first developed a scientific approach to separate FAL and FALX based on volatile oils by GC-MS combined with chemometric techniques.

The emission of mercury (II) from coal combustion and other industrial processes continues to be a concern and have local impact on water resources. The detection of these ions in water with sensitive but rapid testing methods is desirable for environmental screening and fieldwork. Nanoparticles of various chemistries have shown promise for this purpose, as they can be used in simple colorimetric analyses. Silver nanoprisms were chemically synthesized resulting in a blue reagent solution, that transitioned towards yellow and colorless solutions when exposed to Hg²⁺ ions at various concentrations. A rapid galvanic reduction of Hg²⁺ onto the nanoprism surfaces is apparently responsible for a change in shape towards spherical nanoparticles, leading to the change in color. There were no interferences by other metal ions in solution, and pH had minimal effect in the range of 6.5 to 9.8. The silver nanoprism reagent provided a detection limit of approximately 0.5 µM (100 µg/L) for mercury (II), which compares favorably with other nanoparticle-based techniques. Further optimization may reduce this detection limit.

Astragalus is a very interesting plant genus well-known for content of flavonoids, triterpenes and polysaccharides. Its secondary metabolites are described as biologically active compounds showing a number of activities, like immunomodulating, antibacterial, antiviral and hepatoprotective. This inspired us to analyze the Bulgarian endemic A. aitosensis (Ivanisch.) to obtain deeper information about its phenolic components. We used extensive chromatographic separation of A. aitosensis extract to obtain seven phenolic compounds (1–7), which were identified using combined LC-MS and NMR spectral studies. The 1D and 2D NMR analysis and HR-MS allowed us to resolve the structures of known compounds 5–7 as isorhamnetin-3-O-robinobioside, isorhamnetin-3-O-(2,6-di-O-α-rhamno-pyranosyl-β-galactopyranoside), and alangiflavoside, respectively, and further comparison of these spectral data with available literature helped us with structural analysis of newly described flavonoid glycosides 1–4. These were described in plant source for the first time.

A universally applicable method for the prediction of the isobaric heat capacities of the liquid and solid phase of molecules at 298.15 K is presented, derived from their “true” volume. The molecules’ “true” volume in A³ is calculated on the basis of their geometry-optimized structure and the Van-der-Waals radii of their constituting atoms by means of a fast numerical algorithm. Good linear correlations of the “true” volume of a large number of compounds encompassing all classes and sizes with their experimental liquid and solid heat capacities over a large range have been found, although noticeably distorted by intermolecular hydrogen-bond effects. To take account of these effects, the total amount of 1303 compounds with known experimental liquid heat capacities has been subdivided into three subsets consisting of 1102 hydroxy-group-free compounds, 164 monoalcohols/monoacids, and 36 polyalcohols/polyacids. The standard deviations for Cp(liq,298) were 20.7 J/mol/K for the OH-free compunds, 22.91 J/mol/K for the monoalcohols/monoacids and 16.03 J/mol/K for the polyols/polyacids. Analogously, 797 compounds with known solid heat capacities have been separated into a subset of 555 OH-free compounds, 123 monoalcohols/monoacids and 119 polyols/polyacids. The standard deviations for Cp(sol,298) were calculated to 23.14 J/mol/K for the first, 21.62 J/mol/K for the second, and 19.75 J/mol/K for the last subset. A discussion of structural and intermolecular effects influencing the heat capacities as well as of some special classes, in particular hydrocarbons, ionic liquids, siloxanes and metallocenes, has been given. In addition, the present method has successfully been extended to enable the prediction of the temperature dependence of the solid and liquid heat capacities in the range between 250 and 350 K.

The monomolecular films of diacylic diperoxides on the water/air interface were studied. Their general formula: CH₃-(CH₂)_m-C(O)-O-O-C(O)-(CH₂)_n-C(O)-O-O-C(O)-(CH₂)_m-CH_3. The behavior of monomolecular films of diperoxides are affected by the structure of their molecule. The numerical values of the areas of molecules that are extrapolated to zero pressure are different. This indicates a different conformation of the molecules in the monolayer. The optimal geometric structure of the molecule of diperoxide, the total area (S), the volume (V), the heat of formation (∆_fH²⁹⁸), the energy of higher occupied (E_HOMO) and the lower vacant (E_LUMO) molecular orbitals were obtain in the calculations. The optimal geometric structures of peroxides and their electronic properties were calculated by the quantum-chemical method. Calculations of conformational states of the molecule of diperoxides are carried out. Experimental data and quantum-chemical calculations are consistent with each other.

The electronic transport stability in nanodevices composed by metal/trans-polyacetylene /metal with different long length has contributed greatly for performance, homogeneity, stability, organization of the chains, reproducibility and higher conductivity. In this paper, we present an analytical study of the electronic transport characteristics from dimerized trans-polyacetylene (trans-PA) molecules containing an odd-even number of sites coupled to metal leads (left and right) in T-shaped geometry using the extended Su-Schrieffer-Heeger (SSH) model based on tight-binding Hamiltonian with the Non-Equilibrium Green´s Function (NEGF) via Heisenberg´s equation of motion and the Keldysh´s formalism. Due to the complexity of the T-shaped odd-even chain, our proposal was to test the effects on the finite-length network for three, four, five sites and furthermore foresee for 17-sites. We show how to tune dimerization strength () coupling to the parameters and T-shaped geometry of the device to which it affects the overlap integral localized at the three endpoints of the T-shaped system, making both the odd and even chains to undergo a metal-insulator transition in their electronic behavior. The results reached through control parity of the chain plane of the parameters governing () the electronic and experimental tunneling allow a better understanding of the subject.

The antiradical and antimicrobial activity of lignin and lignin-based films are both of great interest for applications such as food packaging additives. The polyphenol structure of lignin in addition to the presence of O-containing functional groups is potentially responsible for these activities. This study used DPPH assays to discuss the antiradical activity of HPMC/lignin and HPMC/lignin/chitosan films. The scavenging activity (SA) of both binary (HPMC/lignin) and ternary (HPMC/lignin/chitosan) systems was affected by the percentage of the added lignin: the 5% addition showed the highest activity and the 30% addition had the lowest. Both, scavenging activity and antimicrobial activity are depending on the biomass source showing the following trend: organosolv of softwood > Kraft of softwood > organosolv of grass. Testing the antimicrobial activities of lignins and lignin-containing films showed high antimicrobial activities against gram-positive and gram-negative bacteria at 35 °C and at low temperatures (0-7 °C). Purification of kraft lignin has a negative effect on the antimicrobial activity while storage has positive effect. The lignin release in the produced films affected the activity positively and the chitosan addition enhances the activity even more for both gram-positive and gram-negative bacteria. Testing the films against spoilage bacteria that grow at low temperatures revealed the activity of the 30% addition on HPMC/L1 film against both B. thermosphacta and P. fluorescens while L5 was active only against B. thermosphacta. In HPMC/lignin/chitosan films the 5% addition exhibited activity against both B. thermosphacta and P. fluorescens.

In this paper, PEN3 electronic nose was used to detect and recognize fresh and moldy apples (inoculated with Penicillium expansum and Aspergillusniger) taken Golden Delicious apples as model subject. Firstly, the apples were divided into two groups: apples only inoculated with different molds (Group A) and mixed apples of inoculated apples with fresh apples (Group B). Then the characteristic gas sensors of the PEN3 electronic nose that were most closely correlated with the flavor information of the moldy apples were optimized and determined, which can simplify the analysis process and improve the accuracy of results. Four pattern recognition methods, including linear discriminant analysis (LDA), backpropagation neural network (BPNN), support vector machines (SVM) and radial basis function neural network (RBFNN), were then applied to analyze the data obtained from the characteristic sensors, respectively, aiming at establishing the prediction model of flavor information and fresh/moldy apples. The results showed that only the gas sensors of W1S, W2S, W5S, W1W and W2W in the PEN3 electronic nose exhibited strong signal response to the flavor information, indicating were most closely correlated with the characteristic flavor of apples and thus the data obtained from these characteristic sensors was used for modeling. The results of the four pattern recognition methods showed that BPNN presented the best prediction performance for the training and validation sets for both the Group A and Group B, with prediction accuracies of 96.29% and 90.00% (Group A), 77.70% and 72.00% (Group B), respectively. Therefore, it first demonstrated that PEN3 electronic nose can not only effectively detect and recognize the fresh and moldy apples, but also can distinguish apples inoculated with different molds.

Tree peony flowers are traditional ornamental and medicinal materials in China. In this study, 23 tree peony flowers at a broad color spectrum were analyzed. Gas chromatography-mass spectrometer (GC-MS) revealed that tree peony flowers are rich in sugars and organic acids. Up to 18 amino acids were identified by liquid chromatography-mass spectrometer (LC-MS), including all essential amino acids, except for methionine. The majority of amino acids were significant positively correlated with each other and were significant negatively correlated with glucose, fructose and galactose. A total of 11 polyphenols were identified in these tree fresh peony flowers by LC-MS. There was a high consistency in grouping peony flowers by using sugars and organic acids and amino acids, which differed from that based on color components and polyphenols. Tree peony flowers are also rich in K, Ca, Mg and Fe. In together, peony flowers can be a good resource of health-promoting compounds.

Picrasma javanica Blume or also known as Picrasma nepalensis or Picrasma philippinensis is a plant belongs to the Simaroubaceae family, which is known for its secondary metabolites namely quassinoids with various pharmacological properties including antitumor, antimalarial and antiviral. The plant traditionally used as medicine for different diseases in Myanmar, Thailand and Indonesia. The purpose of this study is to discern the phytochemical constituents and pharmacological activities of Picrasma javanica. The background, phytochemical constituents and pharmacological benefits of Picrasma javanica were reviewed and supported from previous studies, including in vivo and in vitro studies. The literature used in the review comprises of published books, journals, reviews and articles published from the year of 1969 to 2018, which are available in ScienceDirect, PubMed, Scopus and GoogleScholar. Chemical structures presented in this paper are either drawn with ACD/ChemSketch. Picrasma javanica possesses several phytochemical constituents, including quassinoids, alkaloids and triterpenoids. Compounds of the plant were isolated and studied for their pharmacological activities such as antimalarial, antiproliferative, antiviral, antimicrobial and membrane stabilising activity. Most importantly, these studies showed that the key players for the pharmacological benefits are quassinoids and alkaloids present in the plant.Picrasma javanica indeed has therapeutic potentials which may be beneficial for people. However, further extensive studies must be done on the plant as the detailed information on its pharmacological activities are still lacking.

We report here the synthesis of uniform nanospheres-like silver nanoparticles (AgNPs, 5-10 nm) and the dumbbell-like Fe3O4-Ag hybrid nanoparticles (FeAgNPs, 8-16 nm) by the use of seeding growth method in the presence of oleic acid (OA)/oleylamine (OLA) as surfactants. The antibacterial activity of pure nanoparticles and nanocomposites by monitoring the bacterial lag–log growth has been investigated. The electron transfer from AgNPs to Fe3O4NPs which enhances the biological of silver nanoparticles has been proven by nanoscale Raman spectroscopy. The lamellae structure in the spherulite of FeAgNPs/PE nanocomposites seems play the key role to the antibacterial activity of nanocomposites, which has been proven by nanoscale AFM-IR. An atomic force microscopy coupled with nanoscale infrared microscopy (AFM-IR) is use to highlight the distribution of nanoparticles on the surface of nanocomposite at the nanoscale. The presence of FeAgNPs in PE nanocomposites has a better antibacterial activity than that reinforced by AgNPs due to the faster Ag+ release rate from the Fe3O4-Ag hybrid nanoparticles and the ionization of AgNPs in hybrid nanostructure.

A portable Fourier Transform Spectrometer (B3M-IR) is built and used to measure atmospheric trace gases in the city of Beijing during Olympic Games in 2008. A short description of the instrument is first provided in this paper. A detailed spectral analysis is then presented. The total columns of ozone (O3), carbon monoxide (CO), methane (CH4) and nitrous oxide (N2O) are retrieved from the ground-based solar absorption spectra recorded by the B3M-IR during the Olympic Games. Lacking validation data, only the retrieved total column of O3 is compared with that retrieved by MAX-DOAS, which is deployed at the same station. The mean difference between the two methods of measurement is 6.5%, demonstrating the performance and reliability of B3M-IR.

Structure-based design and synthesis of two biphenyl-N-acyl-β-D-glucopyranosylamine derivatives as well as their assessment as inhibitors of human liver glycogen phosphorylase (hlGPa, a pharmaceutical target for type 2 diabetes) is presented. X-ray crystallography revealed the importance of structural water molecules and that the inhibitory efficacy correlates with the degree of disturbance caused by the inhibitor binding to a loop crucial for the catalytic mechanism. The in silico derived models of the binding mode generated during the design process corresponded very well with the crystallographic data.

Bauxite residue is the voluminous by-product of alumina production after Bayer process. Its high alkalinity causes disposal problems and harmful environmental impacts. However, the residue contains significant amounts of valuable elements such as rare earth elements including scandium. Greek bauxite residue contains a high amount of scandium close to its main resources. Taking into account scandium limited availability coupled with its high demand in modern technology, bauxite residue could be considered as a potential resource for scandium recovery. In this study, the optimization of scandium extraction from bauxite residue with sulfuric acid is investigated using Taguchi methodology. Based on previous studies acid molarity, leaching time, solid/liquid ratio and reaction temperature were selected as control parameters for the selective Sc recovery. Method optimization targeted the highest concentration of scandium combined with the lowest concentration of iron without taking into account applications constraints. The predicted values resulted by Taguchi methodology were affirmed by a confirmation experiment conducted at optimal conditions. Regression analysis provided the respective equations to be applied on several conditions depending on different applications.

The cross-linkable PCL-PEG analogues block-graft copolymer was designed and synthesized, which with the copolymer of the MEO₂MA and OEGMA as graft chains to improve the mPEG-b-PCL-b-mPEG copolymer the aqueous solution properties. And successfully prepared two hydrogels via a copper-catalyzed 1, 3-dipolar azide-alkyne cycloaddition reaction of alkyne-terminated poly[glycidyl methacrylate-co-2-(2-methoxyethoxy) ethyl methacrylate-co-oligo (ethylene glycol) methacrylate] [P(GMA-co-MEO₂MA-co-OEGMA)] with azide end-functionalized PCL-PEG analogues block-graft copolymer, and tetrakis (2-propynyloxymethyl) -methane (TPOM) and with azide end-functionalized PCL-PEG analogues block-graft copolymer. The copolymer's chemical structure was characterized by proton nuclear magnetic resonance spectroscopy and fourier transform infrared spectroscopy. The molecular weights of the copolymers were decided with gel permeation chromatography. The water solubility and temperature sensitivity of the copolymers were studied by taking digital photos and transmittance change measured by UV spectrophotometer at different temperatures. Fluorescence probes, surface tension, dynamic light scattering and transmission electron microscopy were used to analyze the micelles that copolymers self-assembly in aqueous solution. The sol-gel behavior of copolymer solutions at high concentrations was explored by vial inversion experiments. Finally, the network structure of the gels was observed by scanning electron microscopy. These conclusions indicate that these hydrogels are expected to be used as a new material in the field of biomedicine.

Lithium sulfur (Li–S) batteries are expected to be very useful for next-generation transportation and grid storage because of their high energy density and low cost. However, their low active material utilization and poor cycle life limit their practical application. The use of a carbon-coated separator in these batteries serves to inhibit the migration of the lithium polysulfide intermediate and increases the recyclability. We report the extent to which the electrochemical performance of Li–S battery systems depends on the characteristics of the carbon coating of the separator. Carbon-coated separators containing different ratios of carbon black (Super-P) and vapor-grown-carbon-fibers (VGCF) were prepared and evaluated in Li–S batteries. The results showed that larger amounts of Super-P on the carbon-coated separator enhanced the electrochemical performance of Li–S batteries; for instance, the pure Super-P coating exhibited the highest discharge capacity (602.1 mAh g-1 at 150 cycles) with a Coulombic efficiency exceeding 95%. Furthermore, the separators with the pure Super-P coating had a smaller pore structure, and hence limited polysulfide migration, compared to separators containing Super-P/VGCF mixtures. These results indicate that it is necessary to control the porosity of the porous membrane to control the movement of the lithium polysulfide.

A novel hybrid phosphite [(C₄N₂H₁₄)Co(H₂PO₃)₄·2H₂O] was synthesized with 1,4- diaminobutane (dabn) as a structure-directing agent using slow evaporation method. Single crystal X-ray diffraction analysis showed that it crystallizes in the triclinic system (S.G: P-1, #2) with the following unit cell parameters (Å, °) a = 5.4814 (3), b = 7.5515 (4), c = 10.8548 (6), α = 88.001 (4), β = 88.707 (5), γ = 85.126 (5). The crystal structure was built up from corner-sharing [CoO₆]-octahedrons, forming chains parallel to [001], which are interconnected by H₂PO₃ pseudo-pyramid units. The diprotonated 1,4-diaminobutane molecules, residing between the parallel chains, interacted with the inorganic moiety via hydrogen bonds leading thus to the formation of the 3D crystal structure. The Fourier transform infrared result exhibited characteristic bands corresponding to the phosphite group and the organic molecule. The thermal decomposition of the compound consists mainly of the loss of the organic moiety and the water molecules. The biological tests exhibited significant activity against Candida albicans and Escherichia coli strains in all used concentrations, while less activity was pronounced when tested against Staphylococcus epidermidis and Saccharomyces cerevisiae, while there was no activity against the nematode model Steinernema feltiae.

A focal plane array (FPA) detector was used for hyperspectral imaging in the infrared (IR) spectral region using thermal and synchrotron light sources. FPA Fourier-transform IR (FTIR) imaging microspectroscopy will be able to monitor real time changes at specific absorption bands when combined with high brightness synchrotron source. In this study, several types of samples with unique structural motifs were selected and used for assessing the capability of the FPA-FTIR imaging technique. It was shown that the time required for polariscopy at IR wavelengths can be substantially reduced by the FPA-FTIR imaging approach. By using natural and laser fabricated polymers with sub-wavelength features, alignment of absorbing molecular dipoles was revealed as well as higher order patterns (laser fabricated structures). Micro-spectroscopy of absorber orientation reveals alignment patterns even when they are not spatially resolved.

The appearance of bubbles and foam can influence the likeability of a wine even before its consumption. Since foams are essential to visual and taste attributes of sparkling wines, it is of great importance to understand which compounds affect bubbles and foam characteristics. The aim of this work was to investigate the effect of interactions among proteins, amino acids, and phenols on the characteristics of foam in sparkling wines by using synchronous fluorescence spectroscopy techniques. Results has shown that several compounds present in sparkling wines influence foam quality differently, and importantly, highlighted how the interaction of those compounds might result in different effects on foam parameters. Amongst the results, mannoproteins were found to be most likely to promote foam and collar stability, while phenols were likely to increase the ratio of small bubbles and collar height in the foam matrix. In summary, this work contributes to a better understanding of the effect of wine compounds on foam quality as well as the effect of the interactions between those compounds.

Geochemists disagree whether or not prebiotic chemistry has existed already during the Hadean Eon and whether the then terrestrial atmosphere has been strongly or weakly reduced. Here I argue that cellular life has existed already just after the end of the Hadean Eon and that terrestrial life has survived a number of cataclysms during the Earth's history. I argue that although organic molecules have been detected in meteorites that most organic molecules required for the formation of macromolecules must have been formed on Earth. Finally, I argue that the primitive terrestrial atmosphere during the Hadean Eon has been weakly reduced, so that amino acids and small nucleic acids could have been formed. I suggest that the first self-replicable macromolecules have been similar to viroids.

In fuel-cell technological development, one of the most important objectives is to minimize the amount of Pt, the most employed material as oxygen reduction and methanol oxidation electro-catalyst. In this paper we report the synthesis and characterization of Te nanotubes (TeNTs) decorated with Pt nanoparticles, readily prepared from stirred aqueous solutions of PtCl2 containing a suspension of TeNTs and ethanol acting as a reducing agent, avoiding the use of any hydrophobic surfactants as capping stabilizing substance. The as obtained TeNTs decorated with Pt nanoparticles (TeNTs/PtNPs) have been fully characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), selected area diffraction patterns (SAD), X-ray photoelectron spectroscopy (XPS) and cyclic voltammetry (CV). We demonstrate that the new material can be successfully employed in fuel cell either as anodic (for methanol oxidation reaction) and cathodic (for oxygen reduction reaction) electrode with high efficiency in terms of related mass activities and on-set improvement. Remarkably, the cell operates in aqueous electrolyte buffered at pH 7.0, thus avoiding acidic or alkaline conditions that may lead e. g. to Pt dissolution (at low pH) and paving the way for the development of biocompatible devices and on chip fuel cells.

The effect of microstructure and chemistry of passive films on the kinetics of passive layer growth and passivity breakdown of some Ti-based alloys, namely Ti-6Al-4V, Ti-6Al-7Nb and TC21 alloys was studied. The rate of pitting corrosion was evaluated using cyclic polarization measurements. Chronoamperometry was applied to assess the passive layer growth kinetics and breakdown. Microstructure influence on the uniform corrosion rate of these alloys was also investigated employing Tafel extrapolation and dynamic electrochemical impedance spectroscopy. Corrosion studies were performed in 0.9% NaCl solution at 37 oC, and the obtained results were compared with ultrapure Ti (99.99%). The different phases of the microstructure were characterized by X-ray diffraction and scanning electron microscopy. Chemical composition and chemistry of the corroded surfaces were studied using X-ray photoelectron analysis. For all studied alloys, the microstructure consisted of α matrix, which was strengthened by β phase. The highest and the lowest values of the β phase’s volume fraction were recorded for TC21 and Ti-Al-Nb alloys, respectively. The uniform corrosion rate and pitting corrosion resistance (R_pit) of the studied alloys were enhanced following the sequence: Ti-6Al-7Nb < Ti-6Al-4V << TC21. The corrosion resistance of Ti-Al-Nb alloy approached that of pure Ti. The obvious changes in the microstructure of these alloys, together with XPS findings, were adopted to interpret the pronounced variation in their corrosion rates.

The effect of γ-ray irradiation on surface plasmon resonance (SPR) sensing capability of refractive index (n = 1.418–1.448) of the silica glass optical fiber comprised of germano-silicate glass cladding embedded with Au nano-particles (NPs) was investigated. As the γ-ray irradiation increased from 1 hour to 3 hours with the dose rate of 1,190 Gy/h, the morphology of the Au NPs and the SPR spectrum were found to change. The average diameter of Au NPs increased with the aspect ratio from 1 to 2 and the nano-particles became grown to the clusters. The SPR peak wavelength shifted towards longer wavelength with the increase of total dose of γ-ray irradiation regardless of the corresponding refractive indices. The SPR sensitivities (wavelength/refractive index unit, nm/RIU) also increased from 407 nm/RIU to 3,553 nm/RIU, 1,483 nm/RIU, and 2,335 nm/RIU after the γ-ray irradiation at the total dose of 1,190 Gy, 2,380 Gy, and 3,570 Gy, respectively.

Ga doped ZnO thin films were formed by the Ultrasonic Chemical Spray Pyrolysis method onto substrates using zinc acetate and gallium (III) nitrate hydrate as precursors. The structural, optical, surface and electrical properties were studied as a function of increasing Ga doping concentration from 0 to 6 at %. Structural studies were shown polycrystalline with a hexagonal crystal structure. The transparency in the visible range was around 85% for thin film deposited using 6 at % Ga doping. With the aim of determining surface images and surface roughness of the films atomic force microscope images were taken. Ga doping of ZnO thin films could markedly decrease surface roughness. Electrical resistivity was determined by four point method. The resistivity 2.0% Ga doped ZnO film was the lowest resistivity of 1.7 cm. In the photoluminescence measurements of the films, existence of UV and defect emission band was observed. As a result, Ga doped ZnO films have advanced properties and promising materials for solar cells.

Additive manufacturing (AM) is an attractive technology for manufacturing industry due to flexibility in design and functionality, but inconsistency in quality is one of the major limitations that does not allow utilizing this technology for production of end-use parts. Prediction of mechanical properties can be one of the possible ways to improve the repeatability of the results. The part placement, part orientation, and STL model properties (number of mesh triangles, surface, and volume) are used to predict tensile modulus, nominal stress and elongation at break for polyamide 2200 (also known as PA12). EOS P395 polymer powder bed fusion system was used to fabricate 217 specimens in two identical builds (434 specimens in total). Prediction is performed for XYZ, XZY, ZYX, and Angle orientations separately, and all orientations together. The different non-linear models based on machine learning methods have higher prediction accuracy compared with linear regression models. Linear regression models have prediction accuracy higher than 80% only for Tensile Modulus and Elongation at break in Angle orientation. Since orientation-based modeling has low prediction accuracy due to a small number of data points and lack of information about material properties, these models need to be improved in the future based on additional experimental work.

Environmental isolates, genetically manipulated organisms, plants, animals and their products and economical methods are being expertly explored to biosynthesize poly-3-hydroxybutyrate plastics of comparable properties to petroplastics. This study assessed a hypothesized feasibility of utilizing a proliferative pleustophytic greenery, water hyacinth (Eichhornia crassipes (Mart.) Solms-Laubach) in Lake Victoria, Uganda as a potential carbon source for poly-3-hydroxybutyrate biosynthesis. The poly-3-hydroxybutyrate biosynthesizing bacteria (Bacillus megaterium) was isolated from municipal sewage sludge and harnessed for batch fermentation of acid-catalysed water hyacinth biomass. Poly-3-hydroxybutyrate formed in the cytoplasm of the bacterial cells was extracted by chloroform extraction method, and thereof confirmed and quantified by UV spectroscopy. Batch fermentation was carried out in 100ml of the culture media in a 250ml fermenter for different times (48, 96, 144 and 192 hours) to determine the best incubation time for maximum yield. An all-out net yield of 61.3% was realized after 96 hours of fermentation. Utilization of this ecological plague for poly-3-hydroxybutyrate biosynthesis is a promising strategy for regulating the weed population along the length of Nile River and the Victorian basin.

Polydimethylsiloxane with hydroxy groups was functionalized to form functionalized polydimethylsiloxane, which subsequently underwent an addition reaction with isophorone diisocyanate to form the prepolymer. Next, 3-aminopropyltriethoxysilane (APTS) reacted with 3-glycidoxypropyltrimethoxysilane (GPTS) to produce bridged polysilsesquioxanes, and the sol–gel technology was employed to form hyperbranched polysiloxane nanoparticles with hydroxy groups, which was used as the additive. The hyperbranched polysiloxane and the prepolymer containing NCO functional groups then underwent an addition reaction to produce the hybrid materials. Fourier-transform infrared spectroscopy and 29Si nuclear magnetic resonance were used to characterize the structure of the polyurethane hybrid. Regarding thermal stability, after the hyperbranched polysiloxane nanoparticles was introduced, the integral procedural decomposition temperature increased from 348 ºC for polyurethane matrix to 859 ºC for the hybrid material. The results revealed that the thermal stability of the hybrid material substantially increased by approximately 247%.

Removal of hexavalent chromium had attracted much more attention as it was a hazardous contaminant. Electrochemical reduction technology was applied to removal chromium (VI) from wastewater. The mechanism and parameters affect the reduction process were investigated. The results showed that the reduction efficiency was significantly affected by the concentration of H2SO4, current density and reaction temperature. And the reduction efficiency was up to 86.45% at concentration of H2SO4 of 100g/L, reaction temperature of 70 ℃, current density at 50 A/m2, reaction time at 180 min and stirring rate of 500 rpm. The reduction process of chromium (VI) was followed pseudo-first-order equation, and the reduction rate could be expressed as Kobs = k [H2SO4]1• [j] 4•exp-4170/RT.

Approaching the end of the second decade of the 21^st century, almost the whole demand of vanillin is met by the synthetic product obtained either via a petrochemical process starting from phenol and glyoxylic acid or from energy intensive alkaline oxidative depolymerization of lignin. Only a minor fraction is comprised of natural vanillin obtained from ferulic acid fermentation, and even less of highly valued Vanilla planifolia extracts. Are there alternative green production methods? And, if yes, are they suitable to find practical application?

The effects of heating rate before solution treatment and cooling rate after solution treatment on the morphological distribution and evolution of precipitation phase of nickel-based single crystal superalloy were studied. The dissolution, precipitation and growth of precipitation phase and matrix phase during heat treatment were analyzed by means of high power scanning electron microscopy. The results show that the morphology of precipitated phase has nothing to do with the distribution of precipitated phase and the heating rate in the heating process, but the cooling rate in the cooling process affects the shape, size and distribution of precipitated phase. The faster the cooling rate, the smaller the precipitated phase is, the more irregular the shape is, the smaller the equivalent edge length is, and the smaller the channel width of matrix phase is.

The reaction mechanism of the carboxylation of K-2-naphthoxide was investigated by density functional theory calculations and spectroscopic studies. The reaction intermediates and products were confirmed by CO₂ adsorbed-FTIR and ¹H-NMR measurements. Four steps of the reaction pathway were identified: CO₂ activation, electrophilic substitution, CO₂-K complex rearrangement, and H-shift, producing 2-hydroxy-1-naphthoic acid (2,1-HNA), 2-hydroxy-3-naphthoic acid (2,3-HNA), and 2-hydroxy-6-naphthoic acid (2,6-HNA). The occurrence of CO₂-K complex rearrangement was also confirmed. These energy profiles of reaction pathways for the reaction intermediates were well consistent the experimental results on the carboxylation of K-2-naphthoxide.

The process of preparing anti-glare thin films by spray-coating silica sol-gel to soda-lime glass was exclusively and statistically studied in this paper. The effects of sol-gel deliver pressure, air transport pressure, and spray gun displacement speed on the gloss, haze, arithmetic mean surface roughness, and total transmittance light were analyzed. The experimental results indicate that the factors of sol-gel deliver pressure, air transport pressure, and displacement speed exhibit significant effect on the haze, gloss, and Ra. In contrast, the variation of total transmittance light with these three factors are insignificant. Because the anti-glare property is predominantly determined by low gloss and high haze, therefore, we aim to minimize gloss and maximize haze to achieve high anti-glare. Central composite design and response rurface methodology are employed to analyze the main and interaction effects of the three factors through quadratic polynomial equations, which are confirmed by the analysis of variance and R². The response surface methodology predict the lowest gloss and highest haze are 9.2 GU and 57.0%, corresponding to the sol-gel deliver pressure, air-transport pressure, and displacement speed of 250 kPa, 560 kPa, and 140 mm/s, and 340 kPa, 620 kPa, and 20 mm/s, respectively. Comparing the predicted optimal data with the real experimental results validates the applicability of the mathematical model. This study provides an important basis for the subsequent production of anti-glare glass with different specifications to satisfy the market demand.

Natural products are an important source of antibacterial agents. Canthin-6-one alkaloids have displayed potential antibacterial activity based on our previous work. In order to improve the activity, twenty-two new 3-N-benzylated 10-methoxy canthin-6-ones were designed and synthesized through quaternization reaction. The in vitro antibacterial activity against three bacteria was evaluated by double dilution method. Four compounds (6f, 6i, 6p and 6t) displayed 2-fold superiority (minimum inhibitory concentration (MIC) = 3.91 µg/mL) against agricultural pathogenic bacteria R. solanacearum and P. syringae than agrochemical propineb. Moreover, the structure–activity relationships (SARs) were also carefully summarized in order to guide the development of antibacterial canthin-6-one agents.

The development of a stationary phase material for high performance liquid chromatography based on a surface of silica hydride as opposed to silanols on ordinary silica is discussed including synthetic approaches, characterization and applications. There are several synthetic approaches available to create a silica hydride surface. Modification of the Si-H moiety on the silica surface can be accomplished through use of a hydrosilation reaction. Both the intermediate silica hydride and the material modified with an organic moiety can be characterized by a number of spectroscopic as well as a variety of other methods. Further insights into the retention mechanism are provide through chromatographic measurements. The ultimate utility of any chromatographic stationary phase material is determined by its success for solving challenging analytical problems. A broad range of applications are reviewed to illustrate the versatility and usefulness of silica hydride-based stationary phases.

Polychlorinated phenoxathiins (PCPTs), polychlorinated dibenzothiophenes (PCDTs), and polychlorinated thianthrenes (PCTAs) are sulfur analogues of polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans (PCDD/DFs). Chlorothiophenols(CTPs) and chlorophenols (CPs) are key precursors to form PCTA/PT/DTs, which can form chloro(thio)phenoxy radical, sulfydryl/hydryl-substituted phenyl radical and (thio)phenoxyl diradicals. The available radical/radical PCTA/DT formation mechanism failed to explain the higher concentration of PCDTs than that of PCTAs under the pyrolysis or combustion conditions. Thus in this work, a detailed thermodynamics and kinetic calculations were carried out to investigate the pre-intermediates formation for PCTA/PT/DTs from radial/molecule coupling of 2-C(T)P with their key radical species. Our study found that the radial/molecule mechanism can thermodynamically and kinetically contribute to the gas-phase formation of PCTA/PT/DT/s. The S/C coupling modes to form thioether-(thio)enol intermediats are preferable over the O/C coupling modes to form ether-(thio)enol intermediats. Thus, although the radial/molecule coupling of chlorophenoxy radical with 2-C(T)P have no effect on the PCDD/PTs formation, the radial/molecule coupling of chlorothiophenoxy radical with 2-C(T)P play an important role in the PCDT/PT formation. Most importantly, the pre-PCDT intermediates formation pathways from the coupling of sulfydryl/hydryl-substituted phenyl radical with 2-C(T)P and the coupling of (thio)phenoxyl diradicals with 2-C(T)P are more favorable to pre-PCTA/PT intermediates formation pathways from the coupling of chlorothiophenoxy radical with 2-C(T)P, which can give reasonable explanation for the high PCDT-to-PCTA ratio in the environment.

Domain walls were studied for permalloy wires with different depth trenches (500 nm wide, 30 nm thick, 7.5 µm long, the depth of the trench was 0, 4, 5, 8, 10, 12 and 15nm). Permalloy (Ni80Fe20) wires were fabricated by electron beam lithography and Ar ion milling. When the depth of trench is smaller than 12 nm, the switching field (Hs) is increasing with the deeper trench. However, the depth of trench is bigger than half depth of thickness, the Hs is decreasing with the deeper trench. We believed that Hs increased as the trench depth increased was because the magnetic diploes force increased between the magnetic poles on two sides of the trench. The domains of the wires were divided by the trenches and the domain walls were pinned on the trenches these were confirmed by magnetic force microscopy images.

This study analyzed the structural changes of semicrystalline polylactide (PLA) in the form of spun-bonded mulching nonwoven, during outdoor composting. The investigation was carried out at the microstructural, supramolecular and molecular levels using scanning electron microscopy (SEM), wide-angle X-ray diffraction (WAXD) and the viscosity method, respectively. The results showed the varying degree of influence of the climatic condition, prepared compost mixtures and time on the molecular, supramolecular and micromorphological structure of PLA spun-bonded mulching nonwoven and its degradation rate. The obtained experimental results revealed how the popular outdoor composting method, realized under two different European climatic conditions (in Poland and in Bulgary), affects the degradation of PLA nonwoven, designed for agriculture use.

A simple and eco-friendly Montmorillonite K10 (MK10) catalyzed method for the synthesis of cyclopentenone derivatives from biomass-produced furfural has been developed. The versatility of this protocol is that the reactions were carried out in solvent free condition and in short reaction time under heterogeneous catalysis. Montmorillonite K10 is a material most explored as heterogeneous catalyst since it is inexpensive and environmentally friendly.

The effects of carbon fiber hybridisation on the thermal properties of woven kenaf reinforced epoxy composites kenaf fibre were studied. Woven kenaf hybrid composites at the different weave designs of plain and satin, and fabric count of 5 × 5 and 6 × 6 were manually prepared by vacuum infusion technique. Thermal properties of pure carbon fibre and hybrid composites were conducted by using thermogravimetric analyser (TGA) and differential scanning calorimeter (DSC). It was found that at high kenaf fibre content showed better thermal stability while the highest thermally stable was found in pure carbon fibre composite. The TG and DTG results showed that the amount of residue decreased in plain-designed hybrid composite compared to satin-designed hybrid composite. The DSC data revealed that the presence of woven kenaf increase decomposition temperature.

One-dimensional nanostructures such as silver nanowires (AgNWs) have attracted considerable attention owing to their outstanding electrical, thermal and antimicrobial properties; however, their application in the prevention of infections linked to bone tissue regeneration interventions has not yet been explored. Here we report on the development of an innovative scaffold prepared from chitosan, composite hydroxyapatite and AgNWs (CS-HACS-AgNWs) having both bioactive and antibacterial properties. In vitro results highlighted the antibacterial potential of AgNWs against both gram-positive and gram-negative bacteria. The CS-HACS-AgNWs composite scaffold demonstrated suitable Ca/P deposition, improved gel strength, reduced gelation time, and sustained Ag+ release within therapeutic concentrations. Antibacterial studies showed that the composite formulation was capable of inhibiting bacterial growth in suspension and of completely preventing biofilm formation on the scaffold in the presence of resistant strains. The hydrogels were also shown to be biocompatible, allowing cell proliferation. In summary, the developed CS-HACS-AgNWs composite hydrogels demonstrated significant potential as a scaffold material to be employed in bone regenerative medicine, as it presents enhanced mechanical strength combined with the ability to allow calcium salts deposition, while efficiently decreasing the risk of infections. The results presented justify further investigations into potential clinical applications of these materials.

An effort was made to find a relationship between the ratio of average asperities height and lubricant thickness at the point of contact of rolling element ball bearings, and empirical equations to predict the life for bearings under constant motion. Two independent failure mechanisms were considered, fatigue failure and lubricant failure resulting in seizing of the roller bearing. A theoretical formula for both of these methods was established for the combined probability of failure using both of these failure mechanisms. Fatigue failure was modeled with the empirical equations of Lundberg and Palmgren and standardized in DIN/ISO281. The seizure failure, which this effort sought to investigate, was predicted using Greenwood and Williamson's theories on surface roughness and asperities during lubricated contact. These two mechanisms were combined, and compared to predicted cycle lives of commercial roller bearing, and a clear correlation was demonstrated. This effort demonstrated that the Greenwood-Williams theories on the relative height of asperities versus lubricant film thickness can be used to predict the probability of a lubricant failure resulting in a roller bearing seizing during use.

Many strategies have been developed for the synthesis of silicon carbide (SiC) thin films on silicon (Si) substrates by plasma-based deposition techniques, especially plasma enhanced chemical vapor deposition (PECVD) and magnetron sputtering, due to importance of these materials for microelectronics and related fields. A drawback is the large lattice mismatch between SiC and Si. The insertion of a thin aluminum nitride (AlN) buffer layer between them has been shown useful to overcome this problem. Herein, the high-power impulse magnetron sputtering (HiPIMS) technique was used to grow SiC thin films on AlN/Si substrates. Furthermore, the SiC films were also grown on Si substrates. Comparisons of the structural and chemical properties of SiC thin films grown on the two types of substrates allowed us to evaluate the influence of AlN buffer layer on such properties. The chemical composition and stoichiometry of the samples were investigated by Rutherford backscattering spectrometry (RBS) and Raman spectroscopy, while the crystallinity was characterized by grazing incidence X-ray diffraction (GIXRD). Our set of results evidenced the versatility of HiPIMS technique to produce polycrystalline SiC thin films at near room temperature only varying the discharge power. In addition, this study opens up a feasible route for the deposition of crystalline SiC films with a good structural quality using AlN buffer layer.

Titanium dioxide (TiO2) and aluminum oxide (Al2O3) coatings have been investigated in a wide range of bio-applications due to their biodegradation and biocompatibility properties, that are key parameters for their use in the food packaging and biomedical devices fields. The present study evaluates and compares the electrochemical behavior of the non-coated, commercial resin-coated, TiO2-coated and Al2O3-coated aluminum in commercial beer electrolyte. For this, TiO2 and Al2O3 thin films were deposited on aluminum (Al) substrates using atomic layer deposition (ALD). The evaluation of the corrosion barrier layer properties was performed by linear sweep voltammetry (LSV) and electrochemical impedance spectroscopy (EIS). In addition, profilometry, grazing incidence X-ray diffractometry (GIXRD), scanning electron microscopy (SEM) and Fourier-transform infrared spectroscopy (FT-IR) analyses were performed to investigate the physical and chemical properties of the pristine and / or corroded samples. TiO2 and Al2O3 films presented an amorphous structure, a morphology that follows Al substrate surface, and a thickness of around 100 nm. Analysis of LSV data showed that ALD coatings promoted a considerable increase in corrosion barrier efficiency being 86.3% for TiO2-coated Al and 80% for Al2O3-coated Al in comparison with 7.1% of commercial resin-coated Al. This is mainly due to the lower electrochemical porosity, 11.4% for TiO2-coated Al and 20.4% for Al2O3-coated Al in comparison with 96% of the resin-coated Al, i.e. an increase of up to twofold in the protection of Al when coated with TiO2 compared to Al2O3 coated. The EIS results allow us to complement the discussions about the reduced corrosion barrier efficiency of the Al2O3 film for beer electrolyte once SEM and FT-IR analyzes did not show drastic changes in both investigated ALD films after the corrosion assays. The above results indicate that ALD TiO2 and Al2O3 films may be a viable alternative to replace the synthetic resin coatings frequently used in aluminum cans of use in the food industry.

In atomic GdFe$_2$ films capped by 4$d$ and 5$d$ transition metals, we show that skyrmions with diameters smaller than 12 nm can emerge. The Dzyaloshinskii--Moriya interaction (DMI), exchange energy, and the magnetocrystalline anisotropy (MCA) energy were investigated based on density functional theory. Since DMI and MCA are caused by spin--orbit coupling (SOC), they are increased with 5$d$ capping layers which exhibit strong SOC strength. We discover a skyrmion phase by using atomistic spin dynamic simulations at small magnetic fields of $\sim$1 T. In addition, a ground state that a spin spiral phase is remained even at zero magnetic field for both films with 4$d$ and 5$d$ capping layers.

Stabilized un-doped Zinc Telluride (ZnTe) thin films were grown on glass substrates under vacuum using closed space sublimation (CSS) technique. A dilute copper nitrate solution (0.1/100 ml) was prepared for copper doping known as ion exchange process in the matrix of ZnTe thin film. The reproducible polycrystalline cubic structure of undoped and Cu doped ZnTe thin films with preferred orientation (111) was confirmed by X-rays diffraction (XRD) technique. Lattice parameter analyses verified the expansion of unit cell volume after incorporation of Cu species into ZnTe thin films samples. The micrographs of scanning electron microscopy (SEM) were used to measure the variation in crystal sizes of samples. The energy dispersive X-rays was used to validate the elemental composition of undoped and Cu-doped ZnTe thin films. The bandgap energy 2.24 eV of ZnTe thin film decreased after doping Cu to 2.20 eV may be due to the introduction of acceptors states near to valance band. Optical studies showed that refractive index was measured from 2.18 to 3.24 whereas thicknesses varied between 220 nm to 320 nm for un-doped and Cu doped ZnTe thin film respectively using Swanepoel model. The oxidation states of Zn⁺², Te⁺² and Cu⁺¹ through high resolution X-ray photoelectron spectroscopy (XPS) analyses was observed. The resistivity of thin films changed from ~10⁷ Ω-cm for undoped ZnTe to ~1 Ω-cm for Cu-doped ZnTe thin film, whereas p-type carrier concentration increased from to respectively. These results predicted that Cu-doped ZnTe thin film can be used as an ideal, efficient and stable intermediate layer between metallic and absorber back contact for the heterojunction thin film solar cell technology.

The perpendicular exchange bias effect is observed in the ferromagnetic Co/Ni multilayers adjacent to the antiferromagnetic FeRh layer. It is found that as the antiferromagnetic FeRh thickness increases from 10 Å to 50 Å, the hysteresis loop is gradually changed from the symmetric shape to the asymmetric shape shifted by some amount corresponding to the exchange-biased field at the thickness of 25 Å. Also, the magnetic domain observation experiment confirms that the domain reversals in the increasing and the decreasing field regions of the sample with the thickness of 50 Å exhibit the same single domain wall motion even though they have the different coercivities.

Six Half-ring with varying linewidth from 120nm to 370nm were connected in series on five corners. The magnetization reversal processes were investigated by the measurement of anisotropic magnetoresistances (AMR). The number of switching jumps in the AMR loops, from zero to five, varied with the longitudinal applied field. These discrete jumps result from domain wall nucleating and depinning on the corners. The larger external field applied the fewer number of jumps in the MR curve. This reproducible and particular-respondence of domain wall device in pattern of half-ring wire might be the new promising magnetoelectronic devices.

Vitrimers are covalent network materials, comparable in structure to classical thermosets. Unlike normal thermosets, they possess a chemical bond swap mechanism that makes their structure dynamic and suitable for activated welding and even autonomous self-healing. The central question in designing such materials is the trade-off between autonomy and material stability: The swap mechanism facilitates the healing but it also facilitates creep, which makes the perfectly stable self-healing solid a hard goal to reach. Here, we address this question for the case of self-healing vitrimers made from star polymers. Using coarse-grained molecular dynamics simulations, we study the adhesion of two vitrimer samples and find that they bond together on timescales that are much shorter than the stress relaxation time. We show that the swap mechanism allows the star polymers to diffuse through the material through coordinated swap events, but the healing process is much faster and does not depend on this mobility.

Background: Selectively targeting dopamine receptors has been a persistent challenge in the last years for the development of new treatments to combat the large variety of diseases evolving these receptors. Although, several drugs have been successfully brought to market, the subtype-specific binding mode on a molecular basis has not been fully elucidated. Methods: Homology modeling and molecular dynamics were applied to construct robust conformational models of all dopamine receptor subtypes (D1-like and D2-like receptors). Fifteen structurally diverse ligands were docked to these models. Contacts at the binding pocket were fully described in order to reveal new structural findings responsible for DR sub-type specificity. Results: We showed that the number of conformations for a receptor:ligand complex was associated to unspecific interactions > 2.5 Å and hydrophobic contacts, while the decoys binding energy was influenced by specific electrostatic interactions. Known residues such as 3.32Asp, the serine microdomain and the aromatic microdomain were found interacting in a variety of modes (HB, SB, π-stacking). Purposed TM2-TM3-TM7 microdomain was found to form a hydrophobic network involving Orthosteric Binding Pocket (OBP) and Secondary Binding Pocket (SBP). T-stacking interactions revealed as especially relevant for some large ligands such as apomorphine, risperidone or aripiprazole. Conclusions: This in silico approach was successful in showing known receptor-ligand interactions as well as in determining unique combinations of interactions, key for the design of more specific ligands.

Deep fat frying is not novel, but a classical antiquity culinary technique preferred chiefly for its swiftness, amenity, conferment of a crisp texture, attractive sensorial and organoleptic qualities and thus delectableness of the fries. Regrettably, repeated use of oils for deep frying impacts the storage life and nutritional suitability of fries. This concerted study investigated the effects of continuous deep fat frying on the physicochemical properties of ten brands of edible cooking oils: Fortune Butto, Roki, Tamu, Best Fry, Golden Fry, Mukwano, Sunny, Sunvita, Sunlite and Sunseed used in deep frying of potato chips in Kampala, Uganda. Three oil samples from local Irish chip fryers were also collected. The color value (CV) and the acidification of the oils as free fatty acid (FFA), peroxide value (POV), paraanisidine value (AnV) and iodine adsorption value (IV) before and between ten successive deep-fryings using potato chips were determined. The possible reuse of the oils was estimated from the frying round when a quality criterion surpassed national or CODEX specifications for the respective edible cooking oils. For fresh oils, the statistical parameter ranges were: CV (0.4R 3.4Y-7.7R 70Y), % FFA (0.0430-0.1508), POV (0.5951-6.6134 meqO₂/Kg), AnV (0.90-4.30) and IV (57.62-128.35gI₂/100g). By the tenth fry, the values were respectively 3.0R 23Y-20.4R 70Y, 0.2286-0.4817, 11.1138-15.7525 meqO₂/Kg, 10.31-22.16 and 53.66-126.03 gI₂/100g. Reuse of the oils for continuous frying of potatoes on the same day can be done only up to 7 times on average for hard oils and 6 times for soft oils.

In this paper were analyzed the effects of double reduction and annealing during rolling process on texture evolution in an ultrathin sheet of low carbon steel. Experimental samples were obtained from each process stage. EBSD technique and correlated tools as orientation density functions and pole figures were used to analyze the microstructural changes and the texture. Results show that {111} recrystallized grains were formed during process, reducing dramatically gamma-fibre texture intensity and generating an adequate finished product for deep die stamping.

Drug delivery to the brain represents a challenge especially in the therapy of central nervous system malignancies. Simvastatin (SVT), as other statins, has shown potential anticancer properties that are difficult to exploit in the CNS. In the present work the physico-chemical, mucoadhesive and permeability enhancing properties of simvastatin-loaded poly-ε-caprolactone nanocapsules coated with chitosan for nose-to-brain administration were investigated. Lipid-core nanocapsules coated with different molecular weight (MW) chitosans (LNCchit) prepared by a novel one-pot technique were characterized for particle size, surface charge, particle number density, morphology, drug encapsulation efficiency, interaction between surface nanocapsules with mucin, drug release and permeability across two nasal mucosa models. Results show that all formulations present adequate particle size (below 220 nm), positive surface charge, narrow droplet size distribution (PDI<0.2) and high encapsulation efficiency. Nanocapsules presented controlled drug release and mucoadhesive properties dependent on the MW of the coating chitosan. The results of permeation across RPMI 2650 human nasal cell line evidenced that LNCchit increased the permeation of SVT. In particular, the amount of SVT permeated after 4h for nanocapsules coated with low MW chitosan, high MW chitosan and control SVT was 13.91 ± 0.78 µg, 9.15 ± 1.23 µg and 1.42 ± 0.21 µg respectively. These results were confirmed by the SVT ex vivo permeation across rabbit nasal mucosa. This study highlighted the suitability of LNCchit as promising strategy for the administration of simvastatin for a nose-to-brain approach for the therapy of brain tumors.

Based on a modified dice-and-fill technique, a PIN-PMN-PT single crystal 1-3 composite with the kerf of 12 μm and pitch of 50 μm was prepared. The as-made piezoelectric composite material behaved with high piezoelectric constant (d33 = 1500 pC/N), high electromechanical coefficient (kt = 0.81), and low acoustic impedance (16.2 Mrayls). Using lithography and flexible circuit method, a 48-element phased array was successfully fabricated from such a piezoelectric composite. The array element was measured to have a central frequency of 20 MHz and a fractional bandwidth of approximately 77% at −6 dB. Of particular significance was that this PIN-PMN-PT single crystal 1-3 composite-based phased array exhibits a superior insertion loss compared with PMN-PT single crystal and PZT-5H-based 20 MHz phased arrays. The focusing and steering capabilities of the obtained phased array were demonstrated theoretically and experimentally. These promising results indicate that the PIN-PMN-PT single crystal 1-3 composite-based high frequency phased array is a good candidate for ultrasound imaging applications.

Porous ceramics can be realized by different methods and are used for manifold applications, like cross-flow-membranes or wall-flow-filters, porous burners, solar receivers, structural design elements or catalytic supports. Within this paper three different alternative process routes are presented, which can be used to manufacture porous ceramic components with different properties or even graded porosity. The first process route bases on additive manufacturing (AM) of macro porous ceramic components, the second on AM of a polymeric template, which is used to manufacture porous ceramic components via replica technique. Finally, the third process route bases on an AM technology, which allows the manufacturing of multi-material or multi-property ceramic components, like components with dense and porous volumes in one complex shaped component.

Fish oil rich in polyunsaturated omega-3 fatty acids is extracted in high yield from anchovy filleting waste using d-limonene as green biosolvent in a simple solid-liquid extraction performed by mechanically stirring and maceration followed by limonene removal via evaporation under reduced pressure. As limonene is renewably obtained from waste orange peel, this protocol establishes a circular bioeconomy method to obtain valued omega-3 extracts from biowaste available worldwide in several million t/year amount. The method closes the materials cycle and opens the route to full valorisation of an important biological resource so far mostly discarded as waste. Significant economic opportunities benefiting local communities, the ecosystem and public health are anticipated.

The production of fatty acids ethyl esters (FAEEs) to be used as biodiesel from oleaginous microalgae shows great opportunities as an attractive source for the production of renewable fuels without competing with human food. To ensure the economic viability and environmental sustainability of the microbial biomass as a raw material, the integration of its production and transformation into the biorefinery concept is required. In the present work, lipids from wet Isochrysis galbana microalga were extracted with ethyl acetate with and without drying the microalgal biomass (dry and wet extraction method, respectively). Then, FAEEs were produced by lipase-catalyzed transesterification and esterification of the extracted lipids with ethanol using lipase B from Candida antarctica (CALB) and Pseudomonas cepacia (PC) lipase supported on SBA-15 mesoporous silica functionalized with amino groups. The conversion to FAEEs with CALB (97 and 85.5 mol% for dry and wet extraction, respectively) and PS (91 and 87 mol%) biocatalysts reached higher values than those obtained with commercial Novozym 435 (75 and 69.5 mol%). Due to the heterogeneous nature of the composition of microalgae lipids, mixtures with different CALB:PC biocatalyst ratio were used to improve conversion of wet-extracted lipids. The results showed that a 25:75 combi-lipase produced a significantly higher conversion to FAEEs (97.2 mol%) than those produced by each biocatalyst independently from wet-extracted lipids and similar ones than those obtained by each lipase from the dry extraction method. Therefore, that optimised combi-lipase biocatalyst, along with achieving the highest conversion to FAEEs, would allow improving viability of a biorefinery since biodiesel production could be performed without the energy-intensive step of biomass drying.

The present work describes the optimization and validation of a highly selective and sensitive analytical method using solid phase extraction and liquid chromatography tandem mass spectrometry (SPE LC-MS/MS) for the determination of some frequently prescribed pharmaceuticals in urban wastewater received and treated by Sharjah sewage treatment plant (STP). The extraction efficiency of different SPE cartridges was tested and the simultaneous extraction of pharmaceuticals was successfully accomplished using hydrophilic-lipophilic-balanced reversed phase Waters^® Oasis HLB cartridge (200 mg/ 6 mL) at pH 3. The analytes were separated on an Aquity BEH C₁₈ column (1.7 µm, 2.1 mm x 150 mm) using gradient elution and the mass spectrometric analysis were performed in multiple reactions monitoring (MRM) selecting two precursor ions to produce ion transition for each pharmaceutical using positive electrospray ionization (+ESI) mode. The correlation coefficient values in the linear calibration plot for each target compound exceeded 0.99 and the recovery percentages of the investigated pharmaceuticals were more than 84%. Limit of detection (LOD) varied between 0.1-1.5 ng/L and limit of quantification (LOQ) was 0.3-5 ng/L for all analytes. The precision of the method was calculated as the relative standard deviation (RSD%) of replicate measurements and was found to be in the ranges of 2.2% to 7.7% and 2.2% to 8.6% for inter and intra-day analysis, respectively. All of the obtained validation parameters satisfied the requirements and guidelines of analytical method validation.

The beginning of industrialization human being has observed a variety of environmental troubles in the world. This industrialization has not only brought growth and affluence but ultimately troubled the ecosystem. One of the crashes is visible, in form of water contamination. Here the current study heavy metal contamination of water body has been discussed. Effluents from a great number of industries viz., tannery, textile, pigment & dyes, paint, wood processing, petroleum refining, electroplating, leather etc., have a major amount of heavy metals in their wastewater. The conventional technique of handling heavy metal pollution includes chemical oxidation, chemical precipitation, ion exchange, reverse osmosis, membrane separation, electrodialysis etc. These processes are expensive, energy intensive and frequently related with generation of poisonous by-product. Therefore, the adsorption has been examined as a cost-efficient technique of elimination of heavy metals from wastewater. In the current study different low-cost adsorbent has been a review as an abatement of heavy metal contamination from wastewater. These adsorbent comprise materials of natural origin like peat moss, zeolites, clay, and chitin are found to be an effective agent for removal of deadly heavy metals like Pb, Cd, Zn, Cu, Ni, Hg, Cr etc. Separately from these, a variety of agricultural wastes like rice husk, waste tea, neem bark, black gram; Turkish coffee, walnut shell etc. were also known as a powerful adsorbent for heavy metal removal. at the side of that low-cost industrial byproduct like fly ash, lignin, iron (III) hydroxide and red mud, coffee husks, Areca waste, tea factory waste, sugar beet pulp, battery industry waste, blast furnace sludge, waste slurry, sea nodule remains and grape stalk wastes have been discovered for their technical possibility to eliminate toxic heavy metals from impure water.

In recent years, it has been found in engineering practice that the service life of cemented carbide shield machine tools used in uneven soft and hard strata is substantially reduced. The study found that thermal stress is the main reason for the failure of cemented carbide shield tunneling tools when shield tunneling is carried out in uneven soft and hard soil. To maintain the hardness of cemented carbide, improving the thermal conductivity of the shield machine tool is of great importance for prolonging its service life and reducing engineering costs. In this paper, graphene and carbon nanotubes were mixed with WC-Co powder and sintered by SPS (Spark Plasma Sintering). The morphology was observed by using scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS). A Rockwell hardness tester and bending strength tester were used to test hardness, bending strength and thermal conductivity. The results show that adding trace graphene or carbon nanotubes can increase the bending strength of the cemented carbide by approximately 50% while keeping the hardness of the cemented carbide unchanged. The thermal conductivity of the cemented carbide can be increased by 10% with the addition of 0.12% graphene alone.

Multiply-accumulate calculations using a memristor crossbar array is an important method to realize neuromorphic computing. However, the memristor array fabrication technology is still immature, and it is difficult to fabricate large-scale arrays with high-yield, which restricts the development of memristor-based neuromorphic computing technology. Therefore, cascading small-scale arrays to achieve the neuromorphic computational ability that can be achieved by large-scale arrays, which is of great significance for promoting the application of memristor-based neuromorphic computing. To address this issue, we present a memristor-based cascaded framework with some basic computation units, several neural network processing units can be cascaded by this means to improve the processing capability of the dataset. Besides, we introduce a split method to reduce pressure of input terminal. Compared with VGGNet and GoogLeNet, the proposed cascaded framework can achieve 93.54% Fashion-MNIST accuracy under the 4.15M parameters. Extensive experiments with Ti/AlOx/TaOx/Pt we fabricated are conducted to show that the circuit simulation results can still provide a high recognition accuracy, and the recognition accuracy loss after circuit simulation can be controlled at around 0.26%.