Removing one key barrier to the industrial uptake of green chemistry and nanocatalysis in the fine and specialty chemical industry requires to fill an ongoing “talent shortage” via expanded chemistry education. In this study we show how the use of hybrid sol-gel catalysts to synthesize fine chemicals and active pharmaceutical ingredients in flow chemistry reactors illustrates new ideas to reshape chemistry education based on recent research outcomes, visualization and digital tools. Several lessons learned from the industrial and academic utilization of these materials in continuous-flow conversions conclude the study.

Because of some of their diverse benefits, intelligent textiles have attracted a great deal of interest among specialists over the past decade. This paper describes a novel approach to the manufacture of intelligent piezoelectric polymer-based textiles with enhanced piezoelectric responses for applications that extract biomechanical energy. Here we report a highly scalable and ultrafast production of smart textile piezoelectric containing graphene oxide nanosheets (GONS) dispersed in polyvinylidene fluoride (PVDF). In this work, Cotton textiles (CT) were functionalized and by graphene oxide (GO), using PVDF as a binder to obtain a CT-PVDF-GO material. Tetraethyl orthosilicate (TEOS) was further grafted as a coating layer to improve the surface compatibility, resulting in the CT-PVDF-GO-TEOS composite. The research results show that the addition of GONS significantly improves PVDF's overall crystallization rate on CT. More specifically, the piezoelectric β-phase content (100 % higher F[β]) and crystallinity degree on the piezoelectric properties of composite cotton fiber has been improved effectively. Consequently, this fabricated piezo-smart textile has a glorious piezoelectricity even with comparatively low coating content of PVDF-GONS-TEOS. Based on it, the as-fabricated piezoelectric textile device has resulted in the output voltage of up to 13 mV for a given frequency (fm = 8 Hz) at fixed strain amplitude value (0.5 %). It is believed that this research may further reveal the field of energy harvesting for possible applications in the future.. In addition, the set of experimental results that illustrate the smart textile was carried out and discussed, and how it can be used as a wearable device source for this smart textile. Finally, the approach described in this study can also be used to construct other desirable designs, for a wearable low-consumption sensor, etc.

Metal organic frameworks (MOFs) composed of metal ions and multifunctional organic ligands are one of the most attractive porous materials. Their potential applications in gas storage, separation, catalysis, biomedicine and many other fields have attracted much attention. In this study, Nano-Mn-MOF-74 with nano size were successfully synthesized by adding acetic acid and characterized it by SEM, TEM and XRD. Furthermore, a new method to trace the degradation process of nanoMOFs through detection of ligand concentration under physiological conditions was developed.

Methanol is a natural ingredient with major occurrence in fruit spirits, such as apple, pear, plum or cherry spirits, but also in spirits made from coffee pulp. The compound is formed during fermentation and the following mash storage by enzymatic hydrolysis of naturally present pectins. Methanol is toxic above certain threshold levels and legal limits have been set in most jurisdictions. Therefore, the methanol content needs to be mitigated and its level must be controlled. This article will review the several factors that influence the methanol content including the pH value of the mash, the addition of various yeast and enzyme preparations, fermentation temperature, mash storage, and most importantly the raw material quality and hygiene. From all these mitigation possibilities, lowering the pH value and the use of cultured yeasts when mashing fruit substances is already common as best practice today. Also a controlled yeast fermentation at acidic pH facilitates not only reduced methanol formation, but ultimately also leads to quality benefits of the distillate. Special care has to be observed in the case of spirits made from coffee by-products which are prone to spoilage with very high methanol contents reported in past studies.

Safety and quality are key issues for the food industry. Consequently, there is a growing demand to preserve the food chain and products against substances toxic, harmful to human health such as contaminants, allergens, toxins, or pathogens. For this reason, it is mandatory to develop highly sensitive, reliable, rapid, and cost-effective sensing systems/devices such as electrochemical sensors/biosensors. Generally, conventional techniques are limited by long time of analyses, expensive and complex procedures, and they require skilled personnel. Therefore, the development of performant electrochemical biosensors can significantly support the screening of food chain and products. Here, we report some of the recent developments in this area and analyze the contributions produced by electrochemical biosensors in the food screening and the challenges to address.

The extraction of grape processing waste (wine pomace) via microwave-hydrodiffusion and gravity (MHG) from three different cultivars grown in Sicily (Syrah, Perricone and Nero d’Avola) rapidly affords aqueous extracts highly concentrated in valued biophenols including flavonoids, anthocyanins and phenolic acids. The method does not employ organic solvent, acid or base and does not require grinding or freeze drying of the wine pomace nor separation of the grape skins from seeds and stem. All the extracts have a pronounced stability as shown by their red-violet color fully retained after storage for more than a year (15 months) in freezer under air. Concentrations of phenolics up to 2000 ppm were detected in the aged extracts of Sicily’s local cultivar Perricone, which also has the highest content of flavonoids. These findings provide a simple and economically viable extraction route to biophenol-rich red extracts that can be used as food colorants as well as to formulate nutraceutical, cosmetic and personal care products starting from an agricultural by-product available in >10 million tonne yearly amount.

The objectives of the current research were to determine the levels of deoxynivalenol (DON) in four different cultivars of corn and subsequently to investigate the fate of DON during pro-cessing steps involved for the production of cornbread. The samples (n = 30) of each cultivar which were found positive were selected for the study. The average level of DON was ranged from LOD to 650 µg/kg. The amount of DON in cornflour samples were ranged from LOD to 630 µg/kg and insignificantly lower than the levels found in corn grain samples (p ≥ 0.05). Further-more, the levels of DON in corn dough samples were insignificantly higher than the levels in cornflour samples (p ≥ 0.05), with levels ranged from LOD to 645 µg/kg. However, the amount of DON in cornbread samples was significantly different from the levels found in corn grains sam-ples (p ≤ 0.05), with levels ranged from LOD to 611.5 µg/kg. The percentage reduction of DON in grains to cornbread samples was 22.4%, 35.6%, 44.5%, and 42.6% in type 1, type 2, type 3, and type 4 cultivars, respectively. The highest dietary exposure and hazard quotient (HQ) of DON was 0.13 and 0.17 µg/kg bw/d, in male and female individuals resulted from the consumption of cornbread samples, respectively.

The available magnetic field strength for high resolution NMR in persistent superconducting magnets has recently improved from 23.5 to 28 Tesla, increasing the proton resonance frequency from 1 to 1.2 GHz. For magic-angle spinning (MAS) NMR, this is expected to improve resolution, provided the sample preparation results in homogeneous broadening. We compare two-dimensional (2D) proton detected MAS NMR spectra of four membrane proteins at 950 and 1.2 GHz. We find a consistent improvement in resolution that scales superlinearly with the increase in magnetic field for three of the four examples. In 3D and 4D spectra, which are now routinely acquired, this improvement indicates the ability to resolve at least 2 and 2.5 times as many signals, respectively.

Gold nanoparticles have been indicated for use in a diagnostic and/or therapeutic role in several cancer types. The use of gold nanorods (AuNRs) with a surface plasmon resonance (SPR) in the second Near-Infrared II (NIR-II) optical window promises deeper anatomical penetration through increased maximum permissible exposure and lower optical attenuation. In this study, the targeting efficiency of anti-epidermal growth factor receptor (EGFR) antibody functionalised AuNRs with an SPR at 1064 nm was evaluated in vitro. Four cell lines, KYSE-30, CAL-27, Hep-G2 and MCF-7 that either over or under expressed EGFR were used. This expression was confirmed by flow cytometry and immunofluorescence. Cytotoxicity assays showed no AuNRs toxicity to both EGFR positive and EGFR negative cell lines up to a concentrations of 19 µg/ml. Optical microscopy demonstrated a significant difference (p<0.0001) between targeted AuNRs (tAuNRs) and untargeted AuNRs (uAuNRs) in all four cancer cell lines. This study demonstrates that anti-EGFR functionalisation significantly increased the number of tAuNRs associated with each EGFR positive cancer cell. This successful targeting highlights the use of tAuNRs for molecular photoacoustic imaging or tumour treatment through plasmonic photothermal therapy.

A total of 744 samples of vegetable seeds and oil (soybean, sunflower, canola, olive, corn, and mustard) were collected for the presence of aflatoxin B1 (AFB1) and total aflatoxins (AFs). The results have shown that 92 (56.7%) samples of branded and 108 (57%) samples of non-branded edible seeds were observed to be contaminated with AFs. The maximum mean of AFB1 and total AFs in non-branded soybean seeds was 21.01 ± 4.70 and 36.37 ± 6.10 µg/kg, respectively. Furthermore, all samples of edible seeds have concentrations of AFB1 greater than the proposed limit of European Union (EU, 2 µg/kg) and 12 (7.40%) samples of branded seeds and 14 (7.40%) samples of non-branded seeds were found in the range ≥ 50 µg/kg. About 78 (43.3%) samples of branded edible oil and 103 (48.3%) sample of non-branded edible oil were observed to be positive with AFs, and the elevated average of AFB1 (14.29 ± 2.51 µg/kg) and total AFs (25.61 ± 7.50) µg/kg were found in non-branded soybean oil samples. Furthermore, 16 (8.88%) and 6 (3.33%) samples of branded vegetable oil have levels of total AFs in a range (21 - 50 µg/kg) and ≥ 50 µg/kg, respectively. The findings have indicated significant difference of AFs levels between branded and non-branded vegetable oil samples (t = 22.274 and p = 0.000) at α = 0.05 and significant difference of AFs levels in vegetable seeds and oil samples ( t = -17.75, p = 0.000) at α =0.05. The highest dietary intake was found in non-branded sunflower oil sample (0.90 µg/kg/day) in female individuals (16-22 age group), followed by the dietary intake of 0.69 µg/kg/day body weight in male individuals (16-22 age group).

The paramagnetic gadolinium(III) ion is used as contrast agent in magnetic resonance (MR) imaging to improve the lesion detection and characterization. It generates a signal by changing the relaxivity of protons from associated water molecules and creates a clearer physical distinction between the molecule and the surrounding tissues. New gadolinium-based contrast agents displaying larger relaxivity values and specifically targeted might provide higher resolution and better functional images. We have synthesized the gadolinium(III) complex of formula [Gd(thy)2(H2O)6](ClO4)3·2H2O (1) [thy = 5-methyl-1H-pyrimidine-2,4-dione or thymine], which is the first reported compound based on gadolinium and thymine nucleobase. 1 has been characterized through vis-IR, SEM-EDAX and single-crystal X-ray diffraction techniques, and its magnetic and relaxometric properties have been investigated by means of SQUID magnetometer and MR imaging phantom studies, respectively. On the basis of its high relaxivity values, this gadolinium(III) complex can be considered a suitable candidate for contrast enhanced magnetic resonance imaging.

ZnO has many technological applications which largely depend on its properties that can be tuned by controlled synthesis. Ideally, the most convenient ZnO synthesis is carried out at room temperature in aqueous solvent. However, the correct temperature values are often loosely defined. In the current paper we performed synthesis of ZnO in aqueous solvent, by varying reaction and drying temperature by 10°C steps and monitored the synthesis products primarily by XRD. We found out that a simple direct synthesis of ZnO, without additional surfactant, pumping of freezing, required both a reaction (TP) and a drying (TD) temperature of 40°C. Higher temperatures also afford ZnO, but lowering any of the TP or TD below the threshold value results either in the achievement of Zn(OH)2 or in a mixture of Zn(OH)2/ZnO. A more detailed Rietveld analysis of the ZnO samples reveals a density variation with the synthesis temperature and an increase of the nanoparticles average size also verified by SEM images. The optical properties of ZnO obtained by UV-Vis reflectance spectroscopy indicate a red shift of the band gap by ~0.1 eV.

Nanographene oxide (GOn) constitutes a nanomaterial of high value in the biomedical field. However, large scale production of highly stable aqueous dispersions of GOn is yet to be achieved. In this work, we explored high-power ultrasonication as a method to reduce particle size of GO and characterized the impact of the process in the physico-chemical properties of the material. GOn was obtained with lateral dimensions of 99 ±43 nm and surface charge of −39.9 ± 2.2 mV. High-power ultrasonication enabled an improvement of stability features, particularly by resulting in a decrease of the average particle size, as well as zeta potential, in comparison to GO obtained by low-power exfoliation and centrifugation (287 ± 139 nm; −29.7 ± 1.2 mV). Re-markably, GOn aqueous dispersions were stable for up to 6 months of shelf-time, with a global process yield of 74%. This novel method enabled the production of large volumes of highly con-centrated (7.5 mg mL-1) GOn aqueous dispersions. Chemical characterization of GOn allowed the identification of characteristic oxygen functional groups, supporting high-power ultrasonication as a fast, efficient and productive process for reducing GO lateral size, while maintaining the material’s chemical features.

Two-dimensional silicon allotrodes– also called Sinicene– have recently experienced intensive scientific research interest due to their unique electrical, mechanical, and sensing characteristics. A novel silicene based nano-material has been enticed great amenities, partially because of its uniformity with graphene. Silicene is a highly sensitive for numerous sensors based on molecular sensing as pH sensor, gas sensor, ion sensor and biosensing are Deoxyribonucleic acid (DNA) nucleobase sensor, photonic sensor, cell-based biosensor, glucose sensor, and bioelectric nose sensor. Nowadays genetic research based on DNA hybridization, which is a vital tools for sensing material and it has various detection methods. Among of them, the detection method is frequency readout used to a label-free detection of DNA hybridization. In this paper we have compared the graphene and silicene quantum capacitance that has been proposed for a DNA hybridization detection method on wireless readout. These method shows, the strands of mismatched and complementary DNA have in different range of frequency to identify output efficiency. With respect to DNA concentration the output of silicene is almost sharply linear than graphene. In addition of field effect transistor, silicene opens a new opportunities due to its band gap whereas graphene indicates zero band gap. It can be stated that silicene is much more reliable as well as much stronger than multi-layered graphene.

Guava is a vital fruit worldwide, especially in Pakistan, and due to its nutritional value famous in each age group. Due to a very short shelf life, the marketing and export of this fruit faced severe constraints. Therefore, in the current study, edible coating of chitosan (0, 0.5, 1.0, 1.5, and 2.0%) was evaluated on postharvest shelf life when guava fruits were stored (room temperature and 4 °C temperatures) for 12 days. The chitosan treated coating fruits have shown reduced total sugars and malondialdehyde levels compared to untreated control samples. However, a significant difference (p ≤ 0.05) in total sugar and malondialdehyde levels exists between samples stored in m compared to refrigerated temperature (4 °C). The chitosan-coated samples have shown a greater amount of vitamin C, quercetin, rutin, and total phenolic contents than control samples. However, these nutritional parameters' levels were significantly different (p ≤ 0.05) in samples stored at room than samples stored at refrigerated temperature. However, the levels of crude fiber, potassium, and sodium were found statistically nonsignificant (p ≥0.05) in control versus chitosan treated coating treatments. The findings have documented that the coatings of 1.5 and 2.0% were most effective for extension in shelf life and maintaining the nutritional attributes of guava fruit.

Generalized stacking fault energies of palladium alloys were calculated using the density functional theory. The stacking fault energy of palladium alloys is correlated with the valence electron of the transition metal element. The twinning tendency is also modified by the presence of an alloying element in the plane of deformation. The obtained results suggest that Pd –transition metal alloys with elements such as Cr, Mo, W, Mn, Re are expected to exhibit high work hardening rate due to the tendency to emit of the partial dislocations and mechanical twins, which results in increased strength and ductility.

This topical review describes the results of recent research into and development of silicon nitride, a ceramic material with unique properties. The outcome of this ongoing research strongly encourages the use of monolithic silicon nitride and coatings as contemporary and future biomaterial for a variety of medical applications. Crystallographic structure, synthesis and processing of monolithic structures and coatings, and examples of their medical applications are covered that relate to spinal, orthopedic and dental implants, bone grafts and scaffolds, platforms for intelligent synthetic neural circuits, antibacterial and antiviral particles and coatings, optical biosensors, and nano-photonic waveguides for sophisticated medical diagnostic devices. The examples provided show convincingly that silicon nitride is destined to become a leader to replace titanium and other entrenched biomaterials in many fields of medicine.

Metal organic frameworks (MOFs) composed of metal ions and multifunctional organic ligands are one of the most attractive porous materials. Their potential applications in gas storage, separation, catalysis, biomedicine and many other fields have attracted much attention. In this study, Nano-Mn-MOF-74 with nano size were successfully synthesized by adding acetic acid and characterized it by SEM, TEM and XRD. Furthermore, a new method to trace the degradation process of nanoMOFs through detection of ligand concentration under physiological conditions was developed.

The compound, C27H23N3 (1), crystallizes in the triclinic system of the P-1 space group. The unit cell comprises a dimer of 1, in which the monomers are linked by two complementary hydrogen bonds between N1 and H1-C1 of another molecule. The dimers form chains along the a-axis through intermolecular interactions between the N2 acceptor atoms and C17 donors from molecules in the nearest neighbouring dimer. These interactions form extended sheets of the dimers of 1, along the ab plane. The quinolinylmeth-2-yl groups of 1 lie in almost orthogonal planes and their N1/2(q) donor atoms being away from the apical amino N3 atom.

Nickel-based ethylene polymerization catalysts have unique features, being able to produce macromolecules with a variable content of branches, resulting in polymers ranging from semicrystalline plastics to elastomers to hyperbranched amorphous waxes and oils. In addition to Brookhart's α-diimine catalysts, iminopyridine Ni(II) complexes are among the most investigated systems. We report that Ni(II) complexes bearing aryliminopyridine ligands with bulky substituents both at the imino moiety and in the 6-position of pyridine afford either hyperbranched low molecular weight polyethylene oils or prevailingly linear crystalline polyethylenes or both depending on the ligand structure and the reaction conditions. The formation of multiple active species in situ is suggested by analysis of the post-polymerization catalyst residues, showing the partial reduction of the imino function. Some related arylaminopyridine Ni(II) complexes were also synthesized and tested, showing a peculiar behavior, i.e. the number of branches of the produced polyethylenes increases while ethylene pressure increases.

Current industrial trends bring new challenges in energy absorbing systems. Polymer materials as the traditional packaging material seem to be promising due to their low weight, structure and production price. Based on the review, the linear low-density polyethylene material was identified as the most promising material for absorbing impact energy. The current paper addresses the identification of the material parameters and the development of a Constitutive material model to be used in future design by virtual prototyping. The paper deals with the experimental measurement of the stress-strain relations of the linear low-density polyethylene under static and dynamic loading. The quasi-static measurement is realized in two perpendicular principal directions and is supplemented by a test measurement in the 45 degrees direction, i.e. exactly between the principal directions. The quasi-static stress-strain curves are analyzed as an initial step for dynamic strain rate dependent material behavior. The dynamic response is tested in the drop tower using a spherical impactor hitting the flat material multi-layered specimen at two different energy levels. The strain rate dependent material model is identified by optimizing the static material response obtained in the dynamic experiments. The material model is validated by the virtual reconstruction of the experiments and by comparing the numerical results to the experimental ones.

The SARS-CoV-2 pandemic has resulted in the generation of evolutionary-related variants. The S-protein of the B.1.1.7 variant (deletion N-terminal domain (NTD) His69Val70Tyr144) may contribute to altered infectivity. These mutations may have been presaged by animal mutations in minks housed in mink farms that according to the present analysis by modelling of protein ligand docking altered a high affinity binding site in the S-protein NTD. These mutants likely occurred only sporadically in humans. Tissue-adaptations and the size of the mink relative to the infected human population size back then may have comparatively increased the relative mutation rate. Simple, multi-threaded automated docking that is widely available, assigns increased binding of the blood type II A antigen to the SARS-Cov-2 S-protein NTD of B.1.1.7 with an overall increased docking interaction of blood group A harbouring glycolipids relative to group B or H (H, p=0.04). The top scoring glycan is identified as a DSGG (also classified as sialosyl-MSGG or disialosyl-Gb5) that may compete with heparin, which is similar to heparan sulfate linked to proteinaceous receptors on the tissue surface. Other glycolipids are found to interact with lower affinity, except long ligands that have suitable ligand binding poses to match the curved binding pocket.

Nanostructured carriers have been widely used in pharmaceutical formulations for dermatological treatment. They offer targeted drug delivery, sustained release, improved biostability, and low toxicity, usually presenting advantages over conventional formulations. Due to its large surface area, small size and photothermal properties, graphene oxide (GO) has the potential to be used for such applications. Nanographene oxide (GOn) presented average sizes of 197.6 ± 11.8 nm, and a surface charge of -39.4 ± 1.8 mV, being stable in water for over 6 months. 55.5 % of the mass of GOn dispersion (at a concentration of 1 mg mL-1) permeated the skin after 6 h of exposure. GOn dispersions have been shown to absorb near-infrared radiation, reaching temperatures up to 45.7 °C, within mild photothermal therapy temperature range. Furthermore, GOn in amounts superior to those which could permeate the skin were shown not to affect human skin fibroblasts (HFF-1) morphology or viability, after 24 h of incubation. Due to its large size, no skin permeation was observed for graphite particles in aqueous dispersions stabilized with Pluronic P-123 (Gt-P-123). Altogether, for the first time, GOn potential as a topic administration agent and for delivery of photothermal therapy has been demonstrated.

In this article, it is proposed to use aluminum breakage scraps to obtain Green Hydrogen through the aluminum-water reaction with caustic soda as a catalyst. From this exothermic reaction, both hydrogen and the heat generated can be used. Due to the low price of aluminum chips, this allows us to produce Green hydrogen below the current price that is obtained using renewable energy sources and electrolyzers. On the other hand, we have developed a process that is sustainable since it is obtained as alumina and caustic soda waste that can be reused. This alumina obtained, once filtered, has high purity which allows us to produce high-quality primary aluminum without the need to use bauxite and reducing the production of red sludge. A comparative study-analysis has been carried out of two of the types of forms in which the most common aluminum is presented in the industry to analyze which one performs better by studying key factors such as the hydrogen produced, and the waste generated during the process. Finally, the mathematical model has been defined to be able to control the flow based on different key parameters such as temperature, molarity, and geometry. Undoubtedly, the study that we present represents a milestone for the recovery of metallic aluminum waste and may be of great interest to industries that use aluminum in their processes, such as recuperators, but also the vehicle or aerospace industry.

The effects of mixing orders of tannic acid (TA), starch and α-amylase on the enzyme inhibition of TA were studied, including mixing TA with α-amylase before starch addition (order 1), mixing TA with pre-gelatinized starch before α-amylase addition (order 2) and co-gelatinizing TA with starch before α-amylase addition (order 3). It was found that the enzyme inhibition was always highest for order 1 because TA could bind with the enzyme active site thoroughly before digestion occurred. Both order 2 and 3 reduced α-amylase inhibition through decreasing binding of TA with the enzyme, which resulted from the non-covalent physical adsorption of TA with gelatinized starch. Interestingly, at low TA concentration, α-amylase inhibition for order 2 was higher than order 3, while at high TA concentration, the inhibition was shown with opposite trend, which arose from the difference in the adsorption property between the pre-gelatinized and co-gelatinized starch at the corresponding TA concentrations. Besides, both the crystalline structures and apparent morphology of starch were not significantly altered by TA addition for order 2 and 3. Conclusively, although a polyphenol may have an acceptable inhibitory activity in vitro, the actual effect may not reach the expected one when taking processing procedures into account.

Biomimetic compounds are an alternative for to the limited action and fragile nature of enzymes. This work deals with the synthesis, characterization and evaluation of catalytic activity of two new biomimetic models for the active centers of ascorbate oxidase and catalase. [Cu3(S,S(+)cpse)3(H2O)3][Cu3(R,R(-)cpse)3(H2O)3]·17H2O (model for ascorbate oxidase, 1), and [Mn2(S,S(+)Hcpse)4(NaClO4)2(NaOH)(CH4O)]n·[(C2H6O)2]n·[(CH4O)2]n (model for catalase, 2) were prepared through the synchronic method (yields > 78%). The compound 1 has electronic and optical characteristics for racemic compound. The magnetic properties and electrochemical behavior evidence electronic transfer between metal centers. Meanwhile, the compound 2 showed polymeric properties in solid state and dimeric behavior in solution. Compound 1 was able to effectively catalyze the oxidation of ascorbic acid to dehydroascorbic acid (65.6% and 78.24% for racemic and enantiomeric pure compounds) showing structural and functional similarity to the natural enzyme. Besides, Compound 2 catalyzed the decomposition of hydrogen peroxide toward oxygen and water molecules (45%), evidencing that the prepared complex mimics the action of catalases. These two biomimetic models are relationship between them for the structural ligands, the coordination form to metal center and the catalytic activity as oxidase. This research shows the relationship with the design, evaluation, and comprehension of fundamentals aspects for the biomimetic models of active center of metalloenzymes that have importance for biological and industrial processes.

Information taken from David A. Scott’s book “Copper and Bronze in Art” was crucial for research on copper corrosion products in Stuttgart. Examples discussed are the nature and variability of ‘Black Spots’ (aka ‘Brown Fuzzies’); cupric hydroxide by cleaning, patination, and pigment synthesis; the wondrous phenomenon of curly malachite; chalconatronite formed by contact to soda glass; the formation of copper formates by glass-induced metal corrosion; and synthesis and X-ray diffraction of basic copper acetates (‘verdigris’).

Comparison of the influence of conditioning temperature of microspheres made of medical grade poly(L-lactide) (PLLA) and polylactide with 4wt.% of D-lactide content (PLA), on its thermal and structural properties is presented. The microspheres were fabricated by solid-in-oil-in-water method for application in additive manufacturing. The microspheres were annealed below glass transition temperature (Tg), above Tg but below onset of cold crystallization, and at two temperatures selected from the range of cold crystallization corresponding to crystallization of α’ and α form of poly(L-lactide) respectively, i.e., at 40°C, 70°C, 90°C and 120°C, in order to verify the influence of conditioning temperatures on sinterability of microspheres set as sintering window (SW). Based on differential scanning calorimetry measurements SW of microspheres were evaluated with consideration of existence of cold crystallization and reorganization of crystal polymorph. The results indicate that the conditioning temperature influence on availability and range of SW that depending on the D-lactide presence. We postulate the need for an individual approach for polylactide powders in determining the SW as a temperature range free of any thermal events. Moreover, other core powder characteristic, such as residual solvent content, morphology, particle size distribution, powder flowability and thermal conductivity, as a key property for successful laser sintering, are characterized. The microspheres are close to sphere and the size of microspheres are below 100 µm. Residual solvents content decreases with the increase of annealing temperature. The thermal conductivity is 0.073 W/mK and 0.064 W/mK for PLA and PLLA microspheres, respectively, and it depends on the spherical shape of the microspheres. Furthermore, the WAXD studies prove that an increase in the conditioning temperature causes a slight increase in crystallinity degree for PLLA microspheres and clear increase in crystallization for PLA microspheres.

Several types of hematite nanoparticles (α-Fe2O3) have been investigated for their effects on the structure and properties of fly ash (FA) blended cement. All synthesized nanoparticles were found to be spherical shape, but of different particle sizes from 10 to 195 nm depending on the surfactant used in their preparation. The cement hydration with time showed 1.0% α-Fe2O3 nanoparticles was an effective accelerator for FA blended cement. Moreover, adding α-Fe2O3 nanoparticles in FA blended cement enhanced the compressive strength and workability of cement. Nanoparticle size and size distribution were important for optimal filling of various size of pores within the cement structure.

The consequences of manipulations in structure and amino acid composition of native cyclolinopeptide A (CLA) from linen seeds and its linear precursor on their biological activities and mechanisms of action are reviewed. The modifications included truncation of the peptide chain, replacement of amino acid residues with proteinogenic or non-proteinogenic ones, modifications of peptide bond, and others. The studies revealed changes in the immunosuppressive potency of these analogs investigated in a number of in vitro and in vivo experimental models, predominantly in rodents, as well as differences in their postulated mechanism of action. The modified peptides were compared with cyclosporine A and parent CLA. Some of the synthesized and investigated peptides show potential therapeutic usefulness.

During the past few decades, hybrid nanoparticles (HNPs) based on a magnetic material and gold have attracted interest for applications in catalysis, diagnostics and nanomedicine. In this paper, magnetic CoFe2O4/Au HNPs with an average particle size of 10–20 nm decorated with 2-nm gold clusters were prepared using methionine as a reducer and an anchor between CoFe2O4 and gold. The obtained nanoparticles were studied by X-Ray diffraction (XRD), transmission electron microscopy (TEM), Fourier-transform infrared (FT-IR) spectroscopy and X-Ray photoelectron spectroscopy (XPS) and UV-Vis spectroscopy techniques. The TEM images of the HNPs obtained after one, six and ten gold deposition cycles showed that the surface of cobalt ferrite was covered with gold nanoclusters, which slightly increased with an increase in the number of gold deposition cycles (from 2.12 ± 0.15 nm after one cycle to 2.46 ± 0.13 nm after ten cycles) without any change in surface density. The magnetic measurements showed that the obtained HNPs possessed typical ferrimagnetic behaviour, which corresponds to that of CoFe2O4 nanoparticles. The toxicity evaluation of the synthesised HNPs on Chlorella vulgaris indicated that they can be applied to biomedical applications such as magnetic hyperthermia, photothermal therapy, drug delivery, bioimaging and biosensing.

Rare earths are classified as most important and critical material for US economy and defense by Congress and a mandate has been set to increase their in-house production, domestic resource utilization and decrease reliance on foreign resources and reserves. They are widely available in earth crust as ore (bastnaesite (La, Ce)FCO₃, monazite, (Ce, La, Y, Th)PO₄, and xenotime, YPO₄), but their so-called economic reserves are sparsely located geographically. They may be produced by various means such as beneficiation (physical, chemical, mechanical, or electrical), reduction (direct or indirect), electrolysis (of aqueous or molten / fused single or mixed salt systems) at high temperature or hydrometallurgy. Out of these, direct reduction also known as metallothermic reduction (La and Ca reduction) is mostly utilized. Its variant, high temperature electrowinning of fused salts is also practiced widely. These processes are material and application specific. In this study, author will employ thermodynamics (Ellingham diagrams, free energy of formation, reduction potential, Nernst equation, Pourbaix (E_h-pH) diagrams, E-pO^-2 diagrams), kinetics and energetic of a chemical reaction (chemical metallurgy) to reduce rare earth oxide / salt to rare earth metals (REO/RES – REM). It is shown that materials and energy requirement vary greatly depending on type of mineral ore, production facility, and beneficiation / mineral processing method selected. Aim is to reduce dependence on coal deposits. It is anticipated this route will be able to produce rare earths with > 35% yield and > 98% purity which be described in subsequent studies and patents.

The SARS-CoV-2 pandemic has resulted in the generation of evolutionary-related variants. The S-protein of the B.1.1.7 variant (deletion N-terminal domain (NTD) His69Val70Tyr144) may contribute to altered infectivity. These mutations may have been presaged by animal mutations in minks housed in mink farms that according to the present analysis by modelling of protein ligand docking altered a high affinity binding site in the S-protein NTD. These mutants likely occurred only sporadically in humans. Tissue-adaptations and the size of the mink relative to the infected human population size back then may have comparatively increased the relative mutation rate. Simple, multi-threaded automated docking that is widely available, assigns increased binding of the blood type II A antigen to the SARS-Cov-2 S-protein NTD of B.1.1.7 with an overall increased docking interaction of blood group A harbouring glycolipids relative to group B or H (H, p=0.04). The top scoring glycan is identified as a DSGG (also classified as sialosyl-MSGG or disialosyl-Gb5) that may compete with heparin, which is similar to heparan sulfate linked to proteinaceous receptors on the tissue surface. Other glycolipids are found to interact with lower affinity, except long ligands that have suitable ligand binding poses to match the curved binding pocket.

Acrylamide is probably carcinogenic to humans (International Agency for Research on Cancer, group 2A) with major occurrence in heated, mainly carbohydrate-rich foods. For roasted coffee, a European Union benchmark level of 400 µg/kg acrylamide is of importance. Regularly, the acrylamide contents are controlled using liquid chromatography combined with tandem mass spectrometry (LC-MS/MS). This reference method is reliable and precise but laborious because of the necessary sample clean-up procedure and instrument requirements. This research investigates the possibility of predicting the acrylamide content from proton nuclear magnetic resonance (NMR) spectra that are already recorded for other purposes of coffee control. In the NMR spectrum acrylamide is not directly quantifiable, so that the aim was to establish a correlation between the reference value and the corresponding NMR spectrum by means of a partial least squares (PLS) regression. Therefore, 40 commercially available coffee samples with already available LC-MS/MS data and NMR spectra were used as calibration data. To test the accuracy and robustness of the model and its limitations, 50 coffee samples with extreme roasting degrees and blends were additionally prepared as test set. The PLS model shows an applicability for the varieties C. arabica and C. canephora, which were medium to very dark roasted using drum or infrared roasters. The root mean square error of prediction (RMSEP) is 79 µg/kg acrylamide (n=32). The PLS model is judged as suitable to predict the acrylamide values of commercially available coffee samples. On the other hand, very light roasts containing more than 1000 µg/kg acrylamide are currently not suitable for PLS prediction.

We utilized laser irradiation as a potential technique in tuning the electrical performance of NiOx/SiO2 thin film transistors (TFTs). By optimizing the laser fluence and the number of laser pulses, the TFT performance is evaluated in terms of mobility, threshold voltage, on/off current ratio and subthreshold swing, all of which were derived from the transfer and output characteristics. The 500 laser pulses irradiated NiOx/SiO2 TFT exhibited an enhanced mobility of 3 cm2/V-s from a value of 1.25 cm2/V-s for as-deposited NiOx/SiO2 TFT. The laser-irradiated NiOx material likely has a significant concentration of defect gap states, which could also be involved in light absorption processes. Second, and more importantly, the excess energy that the photogenerated charge carriers possess (due to the significant difference between the photon energy and the bandgap of NiOx), combined with the very high light intensity, would result in complex thermal and photo thermal changes thus resulting in an enhanced electrical performance of p-type NiOx/SiO2 TFT structure.

Resveratrol is a phytoalexin produced by many plants as a defense mechanism against stress-inducing conditions. The richest dietary sources of resveratrol are berries and grapes, their juices and wines. Good bioavailability of resveratrol is not reflected in its high biological activity in vivo because of resveratrol isomerization and its poor solubility in aqueous solutions. Proteins, cyclodextrins and nanomaterials have been explored as innovative delivery vehicles for resveratrol to overcome this limitation. Numerous in vitro and in vivo studies demonstrated beneficial effects of resveratrol in cardiovascular diseases (CVD). Main beneficial effects of resveratrol intake are cardioprotective, anti-hypertensive, vasodilatory, anti-diabetic, and improvement of lipid status. As resveratrol can alleviate the numerous factors associated with CVD, it has potential as a functional supplement to reduce COVID-19 illness severity in patients displaying poor prognosis due to cardio-vascular complications. Resveratrol was shown to mitigate the major pathways involved in the pathogenesis of SARS-CoV-2 including regulation of the renin-angiotensin system and expression of angiotensin-converting enzyme 2, stimulation of immune system and downregulation of pro-inflammatory cytokines release. Therefore, several studies already have anticipated potential implementation of resveratrol in COVID-19 treatment. Regular intake of resveratrol rich diet, or resveratrol-based complementary medicaments, may contribute to a healthier cardio-vascular system, prevention and control of CVD, including COVID-19 disease related complications of CVD.

Innovative tissue engineering biomimetic hydrogels based on hydrophilic polymers have been investigated for their physical and mechanical properties. 5% to 25% by volume loading PHEMA-nanosilica glassy hybrid samples were equilibrated at 37°C in aqueous physiological isotonic and hypotonic saline solutions (0.15 and 0.05 M NaCl) simulating two limiting possible compositions of physiological extracellular fluids. The glassy and hydrated hybrid materials were characterized both for dynamo-mechanical properties and equilibrium absorptions in the two physiological-like aqueous solutions. Mechanical and the morphological modifications occurring in the samples have been described. The 5% volume nanosilica loading hybrid nanocomposite composition showed mechanical characteristics in the dry and hydrated states that were comparable to those of cortical bone and articular cartilage, respectively, and then chosen for further sorption kinetics characterization. Sorption and swelling kinetics were monitored up to equilibrium. Changes in water activities and osmotic pressures in the water-hybrid systems equilibrated at the two limiting solute molarities of the physiological solutions have been related to the observed anomalous sorption modes using the Flory-Huggins interaction parameter approach. The bulk modulus of the dry and glassy PHEMA-5% nanosilica hybrid at 37°C has been observed to be comparable with the values of the osmotic pressures generated from the sorption of isotonic and hypotonic solutions. The anomalous sorption modes and swelling rates are coherent with the difference between osmotic swelling pressures and hybrid glassy nano-composite bulk modulus: the lower the differences the higher the swelling rate and equilibrium solution uptakes. Bone tissue engineering benefits of use of tuneable biomimetic scaffold biomaterials that can be “designed” to act as biocompatible and biomechanically active hybrid interfaces are discussed.

The study focused on investigating the natural incidence of deoxynivalenol (DON) in corn and products from corn producing districts of Punjab, Pakistan. The analysis was carried out using HPLC with UV detector and immunoaffinity cleanup columns. The detection limit (LOD) and limit of quantification were 25 and 50 µg/kg, respectively. Total 1220 samples of corn and products were analyzed to detect the DON, and 539 (44.2%) samples were observed to be contaminated with DON (n ≥ LOD). Furthermore, 92 (7.5%) samples of corn & products have DON levels, elevated than the proposed limits of the EU. The data is significantly different from a normal distribution for DON in corn and products samples and from different locations (p < 0.05) for Shapiro-Wilk and Kolmogorov-Smirnov values. However, a significant difference in DON levels was found between corn and corn derived-products types (p ≤ 0.05). The lowest and highest exposure & hazard quotient (HQ) of 0.92 and 9.68 µg/kg bw/d were documented in cornflour samples.

High-level quantum-chemical computations (G4MP2) are carried out in the study of complexes featuring tetrel bonding between the carbon atom in the carbenoid CB11H11 - obtained by hydride removal in the C-H bond of the known closo-monocarbadodecaborate anion CB11H12() and acting as Lewis acid (LA) - and Lewis bases (LB) of different type; the electron donor groups in the tetrel bond feature carbon, nitrogen, oxygen, fluorine, silicon, phosphorus, sulphur and chlorine atomic centers in neutral molecules as well as anions H(-), OH(-) and F(-). The empty radial 2pr vacant orbital on the carbon center in CB11H11 , which corresponds to the LUMO, acts as a Lewis acid or electron attractor, as shown by the molecular electrostatic potential (MEP) and electron localization funcion (ELF). The thermochemistry and topological analysis of the complexes {CB11H11:LB} are comprehensively analyzed, and classified according to sharing or closed-shell interactions. ELF analysis shows that the tetrel C···X bond ranges from very polarised bonds, as in H11B11C:F() to very weak interactions as in H11B11C···FH and H11B11C···O=C=O.

Poly (Lactic Acid) (PLA) / Ground Tire Rubber (GTR) blends using Dicumyl peroxide (DCP) as a crosslinking agent were prepared as a route to recycle wastes rubber from the automotive industry. The GTR were exposed to grinding and exhibited mechanical damage, traduced at the rubber network scale by chains scission and/or chemical cross-links breakage. Such damage is accompanied by a decrease of 80% of the rubber chains network density of the initial tire buffing but found independent on the type of grinding (cryogenic, dry ambient) or on the GTR size (from <400 µm to <63 µm). Moreover, the finest sieved GTR contain the largest the amount of reinforcing elements (carbon black, clay) that can be advantageously used in PLA/GTR blends. The melt-blending of these finest GTR particles obtained by cryo-grinding at an amount of 15 wt.% and in presence of the crosslinking agent (DCP), resulted in an optimum improvement of the ductility, energy at break and impact strength of the PLA/GTR blends as compared to neat PLA, while maintaining its stiffness. The results were attributed to (i) the good dispersion of the fine GTR particles into the PLA matrix, (ii) the partial re-crosslinking of the GTR particles and co-crosslinking at PLA/GTR interface and (iii) the presence of reinforcing carbon black into the GTR particles and clay particles dispersed into the PLA matrix.

Structural self-organizing and pattern formation are universal and key phenomena observed during growth and cluster-assembling of the carbyne-enriched nanostructured metamaterials at the ion-assisted pulse-plasma deposition. Fine tuning these universal phenomena opens access to designing the properties of the growing carbyne-enriched nano-matrix. The structure of bonds in the grown carbyne-enriched nano-matrices can be programmed by the processes of self-organization and auto-synchronization of nanostructures. We propose the innovative concept, connected with application of the universal Cymatics phenomena during the predictive growth of the carbyne-enriched nanostructured metamaterials. We also propose the self-organization approach for increase stability of the long linear carbon chains. The main idea of suggested concept is manipulating by the self-organized wave patterns excitation phenomenon and their distribution by the spatial structure and properties of the nanostructured metamaterial grows region through the new synergistic effect. Mentioned effect will be provided through the vibration-assisted self-organized wave patterns excitation along with simultaneous manipulating by their properties through the electric field. We propose to use acoustic activation of the plasma zone of nano-matrix growing. Interaction between the inhomogeneous electric field distribution generated on the vibrating layer and the plasma ions will serve as the additional energizing factor controlling the local pattern formation and self-organizing of the nano-structures. Suggested concept makes it possible to provide precise predictive designing the spatial structure and properties of the advanced carbyne-enriched nanostructured metamaterials.

Usually in the manufacture of beer by fermentation of barley, in both industrialized and developing countries significant amounts of organic solid waste are produced from barley straw. These possibly have an impact on the carbon footprint with an effect on global warming. According to this, it is important to reduce environmental impact of these solid residues, and an adequate way is the recycling using them as raw material for the elaboration of handmade paper. Therefore, it is required to manage this type of waste by analyzing the environmental impact, and thus be able to identify sustainable practices for the treatment of this food waste, evaluating its life cycle, which is a useful methodology to estimate said environmental impacts. It is because of this work shows the main results obtained using the life cycle analysis (LCA) methodology, to evaluate the possible environmental impacts during the waste treatment of a brewery located in the state of Hidalgo, Mexico. The residues evaluated were barley straw, malt residues and spent grain, and at the end, barley straw was selected to determine in detail its environmental impact and its reuse, the sheets analyzed presented a grammage that varies from 66 g/m2 and 143 g/m2, resistance to burst was 117 to 145 kpa, with a crystallinity of 34.4% to 37.1%.

Solidification microstructure is formed under high cooling rates and temperature gradients in powder-based additive manufacturing. In this study, a non-equilibrium multi-phase field method (MPFM), which was based on a finite interface dissipation model proposed by Steinbach et. al., coupled with a CALPHAD database was developed for a multicomponent Ni alloy. A qua-si-equilibrium MPFM was also developed for comparison. Two-dimensional equiaxed micro-structural evolution for the Ni (Bal.)–Al–Co–Cr–Mo–Ta–Ti–W–C alloy was performed at various cooling rates. The temperature–γ fraction profiles obtained under 10^5 K/s using non- and qua-si-equilibrium MPFMs were in good agreement with each other. Over 10^6 K/s, the differences between non- and quasi-equilibrium methods grew as the cooling rate increased. The non-equilibrium solidification was strengthened over a cooling rate of 10^6 K/s. Colum-nar-solidification microstructural evolution was performed under cooling rates from 5×10^5 K/s to 1×10^7 K/s at various temperature gradient values under the constant interface velocity (0.1 m/s). The results showed that as the cooling rate increased, the cell space decreased in both methods, and the non-equilibrium MPFM agreed well with experimental measurements. Our results show that the non-equilibrium MPFM can simulate solidification microstructure in powder bed fusion additive manufacturing.

We report that ethanol, used together with water, plays a crucial role in tuning the structures of a zirconium-based Metal-Organic Framework, the 12-connected MOF-801, and the possible mechanisms of this modulating effect. By employing the cosolvent system of ethanol and water just under room temperature without the presence of a monotopic carboxylic acid as the modulator, MOF-801 in various morphologies of different sizes can be synthesized. The linear correlation between the ethanol/water ratio and the crystal sizes is also demonstrated. The growth mechanism is mainly explained by ethanol’s binding with the metal ion clusters and the Marangoni Flow Effect. Ethanol competes with the linker molecules in coordinating with the Zr metal clusters, a role similar to that of the modulators. The Marangoni Flow Effect, which dominates at a certain solvent ratio, further promotes the 1-D alignment of the MOF-801 crystals.

Plasma and serum are the most widely used blood-derived biofluids for metabolomics and lipidomics assays, but the isolation of these products from blood may introduce additional bias as indicated by the fact that many analytes that are present at high concentrations in blood cells cannot be measured and evaluated in those samples. Of particular concern, variable hemolysis during the pre-processing of blood products could compromise accurate and reproducible quantification. Compared with plasma or serum, whole blood may be a better alternative due to simplicity of processing. In this study, we provide a comprehensive method for quantification of the whole blood sphingolipidome and the concentrations were compared with those from plasma. Combining a single-phase extraction method with liquid-chromatography high resolution mass spectrometry (R=120, 000), assisted by alkaline hydrolysis, we were able to identify and simultaneously quantify more than 150 sphingolipids. Furthermore, most of sphingolipids remained stable after a freeze/thaw cycle. Whole blood contained a higher concentration of most sphingolipids than corresponding plasma. Moreover, individual variations in the levels of sphingolipids were lower for whole blood than plasma. These findings demonstrate that whole blood could be a better alternative to plasma, and potentially guide the evaluation of sphinglipidome for biomarker discovery.

The authors of this paper use an original method of diatomaceous earth fractionation, which allows for obtaining a filler with a specific particle size distribution. The method makes it possible to separate small, disintegrated and broken diatom frustules from those which maintained their original form in diatomaceous earth. The study covers a range of tests conducted to prove that such a separated diatomic fraction shows features different from the base diatomite used as an epoxy resin filler. We have examined mechanical properties of a series of diatomite/resin composites considering the weight fraction of diatoms and the parameters of the composite production process. The studied composites of Epidian 601 epoxy resin cross-linked with amine-based curing agent Z-1 contained 0 to 70% vol. of diatoms or diatomaceous earth. Samples were produced by casting into silicone moulds in vacuum degassing conditions and, alternatively, without degassing. The results have shown that the size and morphology of the filler based on diatomaceous earth affects mechanical and rheological properties of systems based on epoxy resin.

Glass samples (59.5 – x) B2O3 – 20Na2O – 20CaO – xV2O5 – Er2O3 – 0.5AgCl (x = 0 – 2.5 mol%) were prepared using melt – quenching method to investigate the structural and optical properties of the glass. The structural of the glass were characterized by using XRD, TEM and FTIR, meanwhile the optical properties were characterized by UV – VIS absorption. The XRD patterns confirmed the amorphous nature of the prepared glass samples. FTIR confirmed the presence of VO4, VO5, BO3, and BO4 vibration, and this result showed NBO increased with increasing vanadium concentration. The UV – Vis – NIR spectra exhibits six absorption band centered at 490, 520, 540, 660, 800, and 980 nm. The optical band gap (Eopt), Urbach energy and refractive index shown decrease, increase and increase, respectively. The Judd – Ofelt intensity parameter reveal the trends was Ω2 &gt; Ω4 &gt; Ω6. There are three emission bands at 516 nm, 580 nm, and 673 nm which are represented by 2H11/2 – 4I15/2, 4S3/2 – 4I15/2, and 4F15/2 – 4I15/2, respectively under 800 nm excitation was obtained.

Few-layer graphene oxide (GO) has shown none or very weak cytotoxicity and anti-proliferative effects in a wide range of cell lines such as glyoma cells and human skin HaCaT cells, in concentrations up to 100 µg/mL However, multi-layer GO has been hardly explored in the biomedical field. Thus, multi-layer GO was examined here in human keratinocyte HaCaT cells treated with different concentrations ranging from 0.01 to 150 µg/mL during different periods of times (3, 12 and 24 hours). The results of this study showed a time-concentration dependence with two non-cytotoxic concentrations (0.01 and 0.05 µg/mL) and a median effective concentration value of 4.087 µg/mL at 24 hours of GO exposure. Contrary to what has been reported for few-layer GO, cell proliferation of the HaCaT cells in contact with the multi-layer GO at 0.01 μg/mL showed identical proliferative activity compared to an epidermal growth factor (1.6-fold greater than the control group) after 96 hours. The effects of the multi-layer GO on the expression of 13 genes (SOD1, CAT, MMP1, TGFB1, GPX1, FN1, HAS2, LAMB1, LUM, CDH1, COL4A1, FBN and VCAN) at the non-cytotoxic concentrations of GO in the HaCaT cells were analyzed after 24 hours. Thus, the lowest non-cytotoxic GO concentration was able to up-regulate the CAT, TGFB1, FN1 and CDH1 genes, which confirms the great potential of multi-layer GO in the biomedical field.

Optimization of post polymerization processing of polyolefin elastomers (POE) is of considerable industrial interest. To this aim, experimental determination and theoretical interpretation of the thermodynamics and mass transport properties of POE-solvent mixtures is relevant. Sorption behaviour of n-hexane vapour in a commercial propylene-ethylene elastomer (V8880 VistamaxxTM from ExxonMobil) is addressed here, determining experimentally the sorption isotherms at temperatures ranging from 115 to 140 °C and pressure values of n-hexane vapour up to 1 atm. Sorption isotherms have been interpreted with the Non-Random-Hydrogen-Bonding Equation of State model retrieving, from data fitting, the value of the binary interaction parameter for the n-hexane/V8880 system. Both the case of temperature-independent and of temperature-dependent binary interaction parameter have been considered. Sorption kinetics was also investigated at different pressures and has been interpreted using a Fick’s model determining values of the mutual diffusivity as a function of temperature and of n-hexane/V8880 mixture composition. From these values, n-hexane intra-diffusion coefficient has been calculated interpreting its dependence on mixture concentration and temperature by a semi-empiric model based on free volume arguments.

The aim of this articles is to investigate the entropy optimization in unsteady MHD flow Darcy-Forchheimer nanofluids towards a stretchable sheet. The surface we tend to think about is porous and stretchy under acceleration. Flow occurs due to the stretching of the surface. Four distinct types of aqueous nanostructures are taken in this examination where copper oxide ( ), copper ( ), titanium dioxide ( ) and aluminum oxide ( ) are the nanoparticles. Irreversibility analysis are discussed through second law of thermodynamics. The expression of energy is mathematically designed and discussed according to heat generation / absorption, dissipation, thermal radiation, and joule heating. The nonlinear PDE (partial differential conditions) is first changed to ODE (normal differential conditions) through appropriate similarity variables. Here we used the numerically embedded solution technique to develop a numerical result for the obtained nonlinear flow expression. Influence of various flow parameter velocity temperature distribution and entropy generation are discussed. Reduction occurs in velocity profile for larger porosity and magnetic parameters. An enhancement in entropy generation and temperature distribution is seen for Brinkman number. An opposite effect is noticed in velocity and temperature through solid volume friction.

Poly(2-methoxyethyl acrylate) (PMEA) and poly(ethylene oxide) (PEO) have protein-antifouling properties and blood compatibility. ABA triblock copolymers (PMEAn-PEO11340-PMEAn (MEOMn)) were prepared using single-electron transfer-living radical polymerization (SET-LRP) using a bi-functional PEO macroinitiator. Two types of MEOMn composed of PMEA blocks with a degree of polymerization (DP = n) of 85 and 777 were prepared using the same PEO macroinitiator. MEOMn formed flower micelles with a hydrophobic PMEA (A) core and hydrophilic PEO (B) loop shells in diluted water with a similar appearance to petals. The hydrodynamic radii of MEOM85 and MEOM777 were 151 and 108 nm, respectively. The PMEA block with a large DP formed a tightly packed core. The aggregation number (Nagg) of the PMEA block in a single flower micelle for MEOM85 and MEOM777 was 156 and 164, respectively, which were estimated using a light scat-tering technique. The critical micelle concentrations (CMCs) for MEOM85 and MEOM777 were 0.01 and 0.002 g/L, respectively, as determined by the light scattering intensity and fluorescence probe techniques. The size, Nagg, and CMC for MEOM85 and MEOM777 were almost the same inde-pendent of hydrophobic DP of the PMEA block.

Ammonia produced using renewable hydrogen is being viewed as a promising media for the export of energy from locations rich in renewable energy sources. Solid oxide fuel cells (SOFCs) are efficient devices for converting such exported ammonia back into electricity at the point of use, however investigations on materials and operating regime for direct ammonia fuelled SOFCs are limited. The studies on fuel electrodes tailored specifically for ammonia fuel are limited. In this work, we evaluated the direct ammonia SOFC performance with Silver-Lanthanum Strontium Cobalt Ferrite (Ag-LSCF) composite anode and a novel Palladium (Pd) nanoparticle decorated Silver-Lanthanum Strontium Cobalt Ferrite (Pd-Ag-LSCF) composite anode in the temperature range of 500 °C to 800 °C. It is hypothesized that Palladium nanoparticles in the anode provide hydrogen dissolution and shift the ammonia decomposition reaction towards the right. The cell performance was evaluated with both hydrogen and ammonia as fuels and a clear-cut improvement in the performance was observed with the addition of Pd for both the fuels. The results showed a performance enhancement by 20% and 43% with hydrogen and ammonia fuels respectively from the Pd addition of Ag-LSCF anode. Open circuit voltage (OCV) values of the cells with hydrogen and ammonia fuel recorded over the temperature range of 500 °C to 800 °C indicated the possibility of direct electro-oxidation of ammonia in SOFCs.

A highly efficient reduction process of Cr (VI) with biochar was conducted in this paper. The results showed that nearly 100% Cr (VI) was reduced at selected reaction conditions: the dosage of biochar at m (C)/m(Cr) = 3.0, reaction temperature of 90 ℃, reaction time at 60 min and concentration of H2SO4 of 20 g/L, respectively. The reduction kinetics analysis demonstrated that the reduction of Cr (VI) fitted well with the pseudo-first-order model and the apparent activation energy was calculated to 40.24 kJ/mol. Response surface methodology confirmed that all the experimental parameters had positive effect on the reduction of Cr (VI). The influence of each parameter on the reduction process followed the order: dosage of biochar> Concentration of H2SO4 > Reaction Temperature > Reaction Time. This paper provided a versatile strategy for treatment of wastewater containing Cr (VI) and showed a bright tomorrow for wastewater treatment.

NMR Spectroscopy is used, in the temperature range 180-350K, to study local order and transport in liquid water (pure and confined) and its solutions with glicerol and methanol at different molar fractions. Being the liquid water thermodynamic dominated by polymorphism (two coexisting liquid phases: high- and low-density HDL and LDL) - with the LDL due to the hydrophilic HB interactions, originating in the supercooled regime the tetrahedral networking and the liquid-liquid transition – we focused our interest to hydrophobic effects (HE) on these. Nowadays, if compared to the hydrophilicity, little is known about hydrophobicity so that the main purpose of this study is to gain new information on it. We measured the relaxation times (T1 and T2) and the self-diffusion (DS). From the times we took advantage of the NMR property to follow the behaviors of each molecular component (the hydrophilic and hydrophobic groups) separately; they are studied directly and DS in terms of the Adam-Gibbs model: obtaining the configurational entropy (Sconf ) and the specific heat contributions (CP,conf ). Due to the HE all the studied quantities, behave differently. For water-glycerol the HB interaction is dominant for all the conditions, whereas for water-methanol are observable two different T-regions above and below 265 K, dominated respectively by the hydrophilicity and hydrophobicity. A situation linked to the water polymorphism. Below this temperature, where the LDL phase and the HB networking develops and grows, the times and CP,conf change behaviors leading to maxima and minima. Above it, where the HB becomes weak and less stable and the HDL dominates, the hydrophobicity determines the solution properties.

Proteins and DNA exhibit key physical chemical properties that make them advantageous for building nanostructures with outstanding features. Both DNA and protein nanotechnology have growth notably and proved to be fertile disciplines. The combination of both types of nanotechnologies is helpful to overcome the individual weaknesses and limitations of each one, paving the way for the continuing diversification of the structural nanotechnologies. Recent studies have implemented a synergistic combination of both biomolecules to assemble unique and sophisticate protein-DNA nanostructures. These hybrid nanostructures are highly programmable and display remarkable features that create new opportunities to build in the nanoscale. This review focuses on the strategies deployed to create hybrid protein-DNA nanostructures. Here, we will discuss strategies such as polymerization, spatial directing and organizing, coating, rigidizing or folding DNA into particular shapes or moving parts. The enrichment of structural DNA nanotechnology by incorporating protein nanotechnology has been clearly demonstrated and still shows a large potential to create useful and advanced materials with cell-like properties or dynamic systems. It can be expected that structural protein-DNA nanotechnology will open new avenues in the fabrication of nano-assemblies with unique functional applications and enrich the toolbox of bionanotechnology.

Cold brew coffee is a new trend in coffee industry. This paper presents pilot studies into several aspect of this beverage. Using an online survey, the current practices of cold brew coffee preparation were investigated identifying a rather large variability with a preference for extraction of medium roasted Arabica coffee using 50-100 g/l at 8°C for about 1 day. Sensory testing using ranking and triangle tests showed that cold brew may be preferred over iced coffee (cooled down hot extracted coffee). Extraction experiments at different conditions combined with nuclear magnetic resonance (NMR) analysis showed that the usual extraction time may be longer than necessary as most compounds are extracted within only a few hours, while increasing turbulence (e.g. using ultrasonication) and temperature may additional increase the speed of extraction. NMR analysis also revealed a possible chemical differentiation between cold brew and hot brew using multivariate data analysis. Decreased extraction time and reduced storage times could be beneficial for cold brew product quality as microbiological analysis of commercial samples detected samples with spoilage organisms and contamination with Bacillus cereus.

Molecular modeling is widely utilized in subjects including but not limited to physics, chemistry, biology, materials science and engineering. Impressive progress has been made in development of theories, algorithms and software packages. To divide and conquer, and to cache intermediate results have been long standing principles in development of algorithms. Not surprisingly, Most of important methodological advancements in more than half century of molecule modeling are various implementations of these two fundamental principles. In the mainstream classical computational molecular science based on force fields parameterization by coarse graining, tremendous efforts have been invested on two lines of algorithm development. The first is coarse graining, which is to represent multiple basic particles in higher resolution modeling as a single larger and softer particle in lower resolution counterpart, with resulting force fields of partial transferability at the expense of some information loss. The second is enhanced sampling, which realizes "dividing and conquering" and/or "caching" in configurational space with focus either on reaction coordinates and collective variables as in metadynamics and related algorithms, or on the transition matrix and state discretization as in Markov state models. For this line of algorithms, spatial resolution is maintained but no transferability is available. Deep learning has been utilized to realize more efficient and accurate ways of "dividing and conquering" and "caching" along these two lines of algorithmic research. We proposed and demonstrated the local free energy landscape approach, a new framework for classical computational molecular science and a third class of algorithm that facilitates molecular modeling through partially transferable in resolution "caching" of distributions for local clusters of molecular degrees of freedom. Differences, connections and potential interactions among these three algorithmic directions are discussed, with the hope to stimulate development of more elegant, efficient and reliable formulations and algorithms for "dividing and conquering" and "caching" in complex molecular systems.

The -blocker (S)-practolol ((S)-N-(4-(2-hydroxy (isopropylamino)propoxy)phenyl)acetamide) was synthesized with 96% enantiomeric excess (ee) from the chlorohydrin (R)-N-(4-(3-chloro-2 hydroxypropoxy)phenyl)acetamide, which was produced in 97% ee and with 27% yield. Racemic building block 1-((1H-indol-4-yl)oxy)-3-chloropropan-2-ol for the -blocker pindolol was produced in 53% yield and (R)-1-((1H-indol-4-yl)oxy)-3-chloropropan-2-ol was produced in 92% ee. The chlorohydrin 7-(3-chloro-2-hydroxypropoxy)-3,4-dihydroquinolin-2(1H)-one, a building block for a derivative of carteolol was produced in 77% yield. (R)-7-(3-chloro-2-hydroxypropoxy)-3,4-dihydroquinolin-2(1H)-one was obtained in 96% ee. The S-enantiomer of this carteolol derivative was produced in 97% ee in 87% yield. Racemic building block 5-(3-chloro-2-hydroxypropoxy)- 3,4-dihydroquinolin-2(1H)-one, building block for the drug carteolol was also produced in 53% yield, with 99% ee of the R-chlorohydrin (R)-5-(3-chloro-2-hydroxypropoxy)-3,4-dihydroquinolin-2(1H)-one. The yield of all four chlorohydrins increased by use of catalytic amounts of base. The reason for this was found to be less formation of the dimeric by-products compared to use of higher concentration of the base. An overall reduction of reagents and reaction time was also obtained compared to our previous reported data of similar compounds. The enantiomers of the chlorohydrin building blocks were obtained by kinetic resolution of the racemate in transesterification reactions catalyzed by Candida antarctica Lipase B (CALB) from SyncoZymes Co, Shanghai, China. Optical rotations confirmed the absolute configuration of the enantiopure drugs.

Carbon sequestration via carbon capture and storage (CCS) method is one of the most useful methods to lower the CO₂ emission in the atmosphere. Ethylenediamine (EDA) and triethylenetetramine (TETA) modified mesoporous carbon (MC) has been successfully prepared as CO₂ storage materials. The effect of various concentrations of EDA or TETA added to MC as well as activated carbon (AC) on their CO₂ adsorption capacity were investigated using high purity CO₂ as feed and titration method to quantitatively measure the amount of adsorbed CO₂. The results showed that within 60 min adsorption time, MCEDA49 gave the highest CO₂ capacity adsorption (19.68 mmol/g), followed by MC-TETA30 (11.241 mol/g). The improvement of CO₂ adsorption capacity at low TETA loadings proved that the four amine functional groups in TETA gave advantages to CO₂ adsorption. TETA functionalized MC has a potential to be used as CO₂ storage materials as it is used at low concentration. Therefore, it is more benign and friendly to the environment.

As a consequence of intense industrialization in the last few decades, the amount of agro-industrial wastes has increasing, where new forms of valorization are crucial. In this work, 5 residual biomasses from Maranhão (Brazil) were investigted as supports for immobilization of lipase from Thermomyces lanuginosus (TLL). The new biocatalysts BM-TLL (babaçu mesocarp) and RH-TLL (rice husk) showed immobilization efficiencies &gt;98% and hydrolytic activities of 5,331 U.g-1 and 4.608 U. g-1 respectively against 142 U. g-1 by Lipozyme® TL IM. High esterification activities were also found, with 141.4 U.g-1 and 396.4 U.g-1 from BM-TLL and RH-TLL against 113.5 U.g-1 by TL IM. Results of porosimetry, SEM and BET demonstrated BM and RH supports are mesoporous materials with large hydrophobic area, allowing a mixture of hydrophobic adsorption and confinement, resulting in hyperactivation of TLL. These biocatalysts were applied in the production of hexyl laurate, where RH-TLL was able to generate 94% conversion in 4 h. Desorption with Triton X-100 and NaCl confirmed that new biocatalysts were more efficient with 5 times less protein than commercial TL IM. All results demonstrated that residual biomass was able to produce robust and stable biocatalysts containing immobilized TLL with better results than commercial preparations.

New materials are obtained by transforming fly ash wastes into a valuable composite, with tandem adsorption and photodegradation properties. Mild hydrothermal synthesis, from titanium dioxide, Platinum nanoparticles and zeolite materials obtained from a waste, fly ash, as support, was involved in the composite preparation. The Platinum nanoparticles extended the photocatalytic activity of the composite in Visible range (Eg = 2.1 eV). The efficiency of tandem adsorption and photocatalytic activity of the new composite were evaluated to 80.70% for Bemacid Blau and 93.89% for Bemacid Rot, after 360 min, the irradiation time, with H2O2 addition.

The ionic liquid A327H+Cl- is generated by reaction of the tertiary amine A327 (industrial mixture of tri-octil and tri-decyl amines) and hydrochloric acid solutions. Further, the extraction of Au(III) by A327H+Cl- ionic liquid under various variables, including metal and ionic liquid concentrations, has been investigated. Results indicate that A327H+AuCl4- is formed, by an exothermic (ΔHº= -3 kJ/mol) reaction, in the organic solution. Aqueous ionic strength influences the formation constants values and the specific interaction theory (SIT) is used to estimate the interaction coefficient between AuCl4- and H+. Gold (III) is stripped using thiocyanate media, and from the strip solutions, gold is precipitated as gold nanoparticles.

Three low band gap copolymers based on isoindigo acceptor units were designed and successfully synthesized by direct arylation polycondensation method. Two of them were benzodithiophene(BDT)-isoindigo copolymers (PBDTI-OD and PBDTI-DT) with 2-octlydodecyl(OD) and 2-decyltetradecyl (DT) substituted isoindigo units, respectively. Thiophene donor and DT-substituted isoindigo acceptor units were copolymerized to synthesize PTI-DT. The copolymers have broad absorption range that extends to over 760 nm with a band gap ~ .5 eV. The photophysical property studies showed the BDT based copolymers have non-polar ground states. Their emission exhibited the population of intramolecular charge transfer (ICT) state in polar solvents and tightly bound excitonic state in non-polar solvents due to self-aggregation. On the contrary, the emission from the thiophene based copolymers was only from the tightly bound excitonic state. The thermal decomposition temperature of the copolymers was above 380 oC. The X-ray diffraction pattern of the three copolymers showed a halo due pi-pi stacking. A second sharper peak was observed in the BDT-based copolymer with longer side chain on the isoindigo unit (PBDTI-DT) and the thiophene based copolymers with PTI-DT exhibiting a better structural order.

Nanoprecipitation by liquid anti-solvent precipitation is one of the most versatile methods to produce pure drug nanoparticles (PDNPs) owing to the ability to optimize the properties of the product. Nevertheless, nanoprecipitation shows broad particle size distribution and low physical stability, leading to high batch-to-batch variability and challenging the bench-to-bedside translation. Microfluidics has emerged as a powerful tool to produce PDNPs in a simple, reproducible, and cost-effective manner with excellent control over NP size. In this work, we designed and fabricated T- and Y-shaped Si-made microfluidics device and used it to produce pure NPs of three kinase inhibitors of different lipophilicity and water-solubility, namely imatinib, dasatinib and tofacitinib, without the use of colloidal stabilizers. PDNPs display sizes in the 90-350 nm range (dynamic light scattering) and a rounded shape (high-resolution scanning electron microscopy). Analysis by X-rays diffraction and differential scanning calorimetry confirmed that this method results in highly amorphous NPs. In addition, we show that the flow rate of solvent, the anti-solvent, and the channel geometry of the device play a key role in the size of the generated NPs.

In this work, anchoring of cinchona derivatives to trifunctional cores (hub approach) was demonstrated to obtain size-enlarged organocatalysts. By modifying the cinchona skeleton in different positions, we prepared four C3-symmetric size-enlarged cinchona derivatives (hub-cinchonas), which were tested as organocatalysts and their catalytic activities were compared with the parent cinchona (hydroquinine) catalyst. We showed that in the hydroxyalkylation reaction of indole, hydroquinine provides good enantioselectivities (up to 73% ee), while the four new size-enlarged derivatives gave significantly lower values (up to 29% ee) in this reaction. Anchoring cinchonas to trifunctional cores was found to facilitate nanofiltration-supported catalyst recovery using PolarClean alternative solvent. The C3-symmetric size-enlarged organocatalysts were completely rejected by all the applied membranes, whereas the separation of hydroquinine was found to be insufficient using organic solvent nanofiltration. Furthermore, the asymmetric catalysis was successfully demonstrated in the case of Michael reaction of 1,3-diketones and trans-β-nitrostyrene using Hub3-cinchona (up to 96% ee) as a result of the positive effect of the C3-symmetric structure using a bulkier substrate. This means an increased selectivity of the catalyst in comparison to hydroquinine in the latter Michael reaction.

Dermal wound healing describes the progressive repair and recalcitrant mechanism of damaged skin and eventually reformatting and reshaping the skin. Many probiotics, nutraceuticals, metal nanoparticles have been associated with improved healing process of intra and inter tissue wounds. Despite the vast nature on material based wound healing mediators, the exact mechanism on material-cellular interaction is still point of repent issue particularly in diabetics and pathological condition. The use of bioengineered alternative agents will likely only continue to dominate the outpatient and perioperative management of chronic, recalcitrant wounds as new additional products continue to cut costs and improve wound healing process. This review article provides an update of the various remedies with confirmed wound healing activities by a diverse group of agents from previous experiments conducted by various researchers

Metandienone and methyltestosterone are orally active anabolic-androgenic steroids with a 17α-methyl structure that are prohibited in sports but are frequently detected in anti-doping analysis. After the previously reported detection of long-term metabolites with a 17ξ-hydroxymethyl-17ξ-methyl-18-nor-5ξ-androst-13-en-3ξ-ol structure in the chlorinated metandienone analog dehydrochloromethyltestosterone (“Oral Turinabol”), in this study we investigated the formation of similar metabolites of metandienone and 17α-methyltestosterone with a rearranged D-ring and a fully reduced A-ring. Using a semi-targeted approach including synthesis of reference compounds, two diastereomeric substances, viz. 17α-hydroxymethyl-17β-methyl-18-nor-5β-androst-13-en-3α-ol and its 5α-analog, were identified following an administration of methyltestosterone. In post-administration urines of metandienone, only the 5β-metabolite was detected. Additionally, 3α,5β-tetrahydro-epi-methyltestosterone was identified in the urines of both administrations besides the classical metabolites included in the screening procedures. Besides their applicability for anti-doping analysis, the results provide new insights on the metabolism of 17α-methyl steroids with respect to the order of reductions in the A-ring, the participation of different enzymes, and alterations of the D-ring.

The analysis of microscopy images has always been an important yet time consuming process in in materials science. Convolutional Neural Networks (CNNs) have been very successfully used for a number of tasks, such as image segmentation. However, training a CNN requires a large amount of hand annotated data, which can be a problem for material science data. We present a procedure to generate synthetic data based on ad-hoc parametric data modelling for enhancing generalization of trained neural network models. Especially for situations where it is not possible to gather a lot of data, such an approach is beneficial and may enable to train a neural network reasonably. Furthermore, we show that targeted data generation by adaptively sampling the parameter space of the generative models gives superior results compared to generating random data points.

Following the analysis of terpenes present in new lemon and grapefruit “IntegroPectin” pectins obtained via the hydrodynamic cavitation of industrial lemon and grapefruit processing waste, the HPLC-MS analysis of the flavonoid compounds reveals the presence of eriocitrin, naringin, hesperidin and kaempferol typical of the respective citrus fruits. The pectic fibers rich in rhamnogalacturonan-I “hairy” regions act as chemical sponges adsorbing and concentrating at their outer surface highly bioactive citrus flavonoids and terpenes. These findings, together with the unique molecular structure of these new whole citrus pectins, provide preliminary insight into the broad-scope and powerful biological activity of these biomaterials. Numerous new biomedical applications beyond prevention and treatment of microbial infections and neurodegenerative disease are anticipated.

In this study, the effect of hot stamping forming process on the properties change of compound layer in Al–Si coated high-strength steel sheet with different thickness was investigated. The coating layer in hot stamped high-strength steel sheet was composed of a diffusion layer and a compound layer. As the hot stamping temperature and holding time for forming increased, the thickness of the compound layer in the Al–Si coated high-strength steel sheet increased. The thickness of coating layer with the hot stamping for 500 sec at 890, 910 and 950 °C was obtained 8.9, 11.8, and 20.6 micrometer, respectively. The thickness of coating layer with hot stamping for 180, 500 and 550 sec at 910 ^oC was obtained 5.7, 11.8, and 17.8 micrometer, respectively. The compound layer in hot stamped high-strength steel sheet with Al–Si coating layer consists of Al_5.4Fe₂ and Fe₂Si phases. In the compound layer, Al and Si were irregularly distributed.

Cereals and their derivatives are the basis of human nutrition. However, cereals also contribute to the dietary exposure to toxic metals that may pose a risk. Strengthening food security and nutrition information is a high priority challenge for the Cape Verde Government. The toxic metals content (Cr, Ni, Sr, Al, Cd, Pb) has been determined in 126 samples of cereals and derivatives (rice, corn gofio, corn flour, wheat flour, corn, wheat) consumed in Cape Verde. Wheat flour samples stand out for registering the highest Sr (1.60 mg/kg), Ni (0.25 mg/kg) and Cr (0.13 mg/kg). The results show relevant Al levels (1.17 – 13.4 mg/kg) with its highest levels in corn gofio. The mean Pb average content in the cereals is 0.03 – 0.08 mg/kg with the highest level observed in corn gofio. The Al and Pb levels are lower in cereals without husks. A consumption of 100 g/day of corn gofio provide an intake of 1.34 mg Al/day (13.7% of the tolerable weekly intake established at 1 mg/kg bw/week) and 8 µg Pb/day (20% of the BMDL set at 0.63 µg/kg bw/day for nephrotoxic effects). The minimization of the dietary exposure of the Cape Verdean population to toxic metals is through the importation of higher quality cereals.

Black poplar (Populus nigra L.) was thermally modified in nitrogen atmosphere. Treatment in nitrogen atmosphere can improve the dimensional stability of black poplar. The effects of the modification process on poplar wood were evaluated for temperatures: 160 °C, 190 °C, and 220 °C applied for 2 h; and 160 °C and 190 °C for 6 h. The percentual impact of temperature and time of modification on the properties of modified wood was analysed. The study permitted to identify correlations between the chemical composition and selected physical properties of thermally modified poplar wood. The dimensional stability of poplar wood improves after thermal modification in nitrogen. The higher the temperature of modification, the lower the equilibrium moisture content (EMC) of black poplar. At the temperature of 220 °C, EMC was two times lower than the EMC of non-modified black poplar. It is also possible to reduce the dimensional changes of wood two-fold (at the modification temperature of 220 °C), both in radial and tangential directions, independently of the acclimatisation conditions (from 34% to 98% RH). Similar correlations have been found for wood that has been soaked in water. Higher modification temperatures and longer processing times contributed to a lower swelling anisotropy (SA).

The development of platinum group metal-free (PGM-free) electrocatalysts derived from cheap and environmentally friendly biomasses for oxygen reduction reaction (ORR) is a topic of relevant interest, particularly from the point of view of sustainability. Fe-nitrogen-doped carbon materials (Fe-N-C) have attracted particular interest as alternative to Pt-based materials, due to the high activity and selectivity of Fe-Nx active sites, the high availability and good tolerance to poisoning. Recently, many studies focused on developing synthetic strategies, which could transform N-containing biomasses into N-doped carbons. In this paper chitosan was employed as a suitable N-containing biomass for preparing Fe-N-C catalyst in virtue of its high N content (7.1%) and unique chemical structure. Moreover, the major application of chitosan is based on its ability to strongly coordinate metal ions, a precondition for the formation of Fe-Nx active sites. The synthesis of Fe-N-C consists in a double step thermochemical conversion of a dried chitosan hydrogel. In acidic aqueous solution, the preparation of physical cross-linked hydrogel allows to obtain sophisticated organization, which assure an optimal mesoporosity before and after the pyrolysis. After the second thermal treatment at 900 °C, a highly graphitized material was obtained, which has been fully characterized in term of textural, morphological and chemical properties. RRDE technique was used for understanding the activity and the selectivity of the material versus the ORR in 0.5 M H2SO4 electrolyte. Special attention was put in the determination of the active site density according to nitrite electrochemical reduction measurements. It was clearly established that the catalytic activity expressed as half wave potential linearly scales with the number of Fe-Nx sites. It was also established that the addition of the iron precursor after the first pyrolysis step leads to an increased activity because of both an increased number of active sites and of a hierarchical structure, which improves the access to active sites. At the same time, the increased graphitization degree, and a reduced density of pyrrolic nitrogen groups are helpful to increase the selectivity toward the 4e- ORR pathway.

The incidence of gastrointestinal diseases (cancer in particular) has increased progressively with considerable morbidity, mortality, and a high economic impact on the healthcare system. Dietary intake of natural bioactive phytochemicals showed to have cancer-preventing and therapeutic effects. This includes the cruciferous vegetable derivative phenethyl isothiocyanate (PEITC), a bioactive compound from watercress. PEITC antioxidant, anti-inflammatory and anti-cancer properties are of particular importance. This review summarizes the current knowledge on the role of PEITC as a potential natural nutraceutical or an adjuvant against oxidative/inflammatory-related disorders in the gastrointestinal tract. We also discuss the safe and recommended dose of PEITC. Besides, we establish a framework to guide the research and development of sustainable methodologies for obtaining and stabilizing this natural nutraceutical for industrial use. This is a topic that still needs more scientific development, but with the potential to lead to a viable strategy in the prevention of cancer and other associated diseases of the gastrointestinal tract.

Lignocellulosic biomass fractionation is typically performed using methods that are somehow harsh to the environment, such as in the case of the kraft pulping. In recent years, the development of new sustainable and environmentally friendly alternatives has grown significantly. Among the developed systems, bio-based solvents emerge as promising alternatives for biomass processing. Therefore, in the present work, the bio-based and renewable chemicals, levulinic acid (LA) and formic acid (FA), were combined to fractionate lignocellulosic waste (i.e., Maritime pine sawdust) and isolate lignin. Different parameters, such as LA/FA ratio, temperature, and extraction time, were optimized to boost the yield and purity of extracted lignin. The LA/FA ratio was found to be crucial regarding the superior lignin extraction from the waste biomass. Moreover, the increase in temperature and extraction time enhances the amount of extracted residue but compromises the lignin purity and reduces its molecular weight. The electron microscopy images revealed that biomass samples suffer significant structural and morphological changes, which further suggests the suitability of the new developed bio-fractionation process. Same was concluded by the FTIR analysis, in which no remaining lignin was detected in the cellulose-rich fraction. Overall, the novel combination of bio-sourced FA and LA has shown to be a very promising system for lignin extraction of high purity from biomass waste, thus contributing to extend the opportunities of lignin manipulation and valorisation into novel added-value biomaterials.

Nucleophilic aromatic substitution (SNAr) reactions can provide metal-free access to synthesize mono-substituted aromatic compounds. We have developed efficient SNAr conditions for p-selective substitution of polyfluoroarenes with phenothiazine in the presence of a mild base to afford the corresponding 10-phenylphenothiazine (PTH) derivatives. The resulting polyfluoroarene-bearing PTH derivatives were subjected to a second SNAr reaction to generate highly functionalized PTH derivatives with potential applicability as photocatalysts for the reduction of carbon–halogen bonds.

Chitosan is a chitin-derived fiber, extracted from the shellfish shells, a by-product of fish industry, or from fungi grown in bioreactors. In oenology, it is used for the control of Brettanomyces spp., for the prevention of ferric, copper and protein casse and for clarification. The International Organisation of Vine and Wine established the exclusive utilization of fungal chitosan to avoid the eventuality of allergic reactions. This work focuses on the differences between two chitosan categories, fungal and animal chitosan, characterizing several samples in terms of chitin content and degree of deacety-lation. In addition, different acids were used to dissolve chitosans, and their effect on viscosity and on the efficacy in wine clarification were observed. Results demonstrated that, even if fungal and animal chitosans shared similar chemical properties (deacetylation degree and chitin content), they showed different viscosity depending on the acid used to dissolve them. A significant difference was discovered on their fining properties, as animal chitosans showed a faster and greater sedimentation compared to the fungal, independently from the acid used for their dissolution. This suggests that physic-chemical differences in the molecular structure occur between the two chitosan categories and that this affect significantly their technologic (oenological) properties.

The development of microbial products for cancer treatment has been in the spotlight in recent years. In order to accelerate the lengthy and expensive drug development process, in silico screening tools are systematically employed, especially during the initial discovery phase. Moreover, considering the steadily increasing number of molecules approved by authorities for commercial use, there is a demand for faster methods to repurpose such drugs. Here we present a review on virtual screening web tools, publicly available databases of molecular targets and libraries of ligands, with the aim to facilitate the discovery of potential anticancer drugs based on microbial products. We provide an entry-level step-by-step description of the workflow for virtual screening of microbial metabolites with known protein targets, as well as two practical examples using freely available web tools. The first case presents a virtual screening study of drugs developed from microbial products using Caver Web, a web tool that performs docking along a tunnel. The second case comprises a comparative analysis between a healthy isocitrate dehydrogenase 1, a mutant that results in cancer, using the recently developed web tool PredictSNP^Onco. In summary, this review provides the basic and essential background information necessary for virtual screening experiments, which may accelerate the discovery of novel anticancer drugs.

Current therapeutic protocols for the treatment of HIV infection consist of the combination of diverse anti-retroviral drugs in order to reduce the selection of resistant mutants and to allow for the use of lower doses of each single agent to reduce toxicity. However, avoiding drugs interactions and patient compliance are issues not fully accomplished so far. In this respect the identification of single agents with multitarget potential might represent the ideal solution. Accordingly, a small library of biphenylhydrazo 4-arylthiazoles derivatives has been synthesised and evaluated to investigate the ability of the new derivatives to simultaneously inhibit both associated functions of HIV reverse transcriptase. All compounds were active towards the two functions, although at different concentrations. The substitution pattern on the biphenyl moiety appears relevant to determine the activity.

Lipophilicity can be measured with different methods, such as Shake-Flask or liquid chromatography. HPLC presents the advantage of overcoming solubility issues and therefore extending the range of lipophilicity to high values. A specific HPLC method, called ELogD, had been developed 20 years ago on a C₁₆-amide stationary phase, enhancing hydrophobic and hydrogen bond interactions to mimic octanol-water partition. The emergence of novel stationary phases added to the need for a less complex mobile phase has led to the development of a new HPLC assay called alphaLogD, applicable to neutral and basic compounds at pH 7.4, that combines superficially porous particles, a high number of equilibriums between solutes and stationary phase, and results in a lower number of isocratic methods to determine the logk’_w at a higher throughput. Statistical studies have been run to successfully evaluate the alphaLogD method compared to the Shake-Flask method and to allow this lipophilicity measurement into the so-called Beyond-Rule-of-5-molecules space.

Nanometer-curved surfaces are abundant in biological systems as well as in nano-sized technologies. Properly functionalized polymer-grafted nanoparticles (PGNs) adhere to surfaces with different geometries and curvatures. This work explores some of the energetic and mechanical characteristics of the adhesion of PGNs to surfaces with positive, negative and zero curvatures using Coarse-Grained Molecular Dynamics (CGMD) simulations. Our calculated free energies of binding of the PGN to the curved and flat surfaces as a function of separation distance show that curvature of the surfaces critically impacts the adhesion strength. We find that the flat surface is the most adhesive, and the concave surface is the least adhesive surface. This somewhat counterintuitive finding suggests that while a bare nanoparticle is more likely to adhere to a positively curved surface than a flat surface, grafting polymer chains to the nanoparticle surface inverts this behavior. Moreover, we studied the rheological behavior of PGN upon separation from the flat and curved surfaces under external pulling force. The results presented herein can be exploited in drug delivery and self-assembly applications.

In this work, PMMA(Poly methyl methacrylate) microfluidic system was used as a micro-reactor for urea hydrolysis by urease enzyme with use conductivity principle and utilize sound level meter(SLM) App in smartphone as a novel detector by considering the peak height in the App as an indicate for urea concentration. the advantage of use small volume and how the reaction carried on in the microfluidic system with simple and low cost are discussed, and the results were analyzed and statically determine. The linearity, detection limit (3×noise )and Correlation Coefficient, 62.5-500 ppm, 31.25 ppm and 0.992 respectively also, recovery studied were between(98.5-100.13%).

The ternary Bi2MoO6-reduced graphene oxide (rGO)-TiO2 catalyst were synthesized using a simple hydrothermal method. The improvement of the photocatalytic decomposition efficiency of Bi2MoO6-rGO-TiO2 composite is 92.3% than the pure and binary photocatalyst. The effects of operational parameters like catalyst ratio, the different catalyst, different ratio rGO and different pH, have been analyzed. As prepared ternary photocatalyst is low Photoluminescence and high photocurrent density responsible, it exhibited that photon-induced electron and hole-recombination were suppressed and also charged separation is effective. The present study shows the rGO is an excellent electron transfer performance and enhanced the photocatalytic reaction stability.

Fracture analysis of reinforced concrete deep beam strengthened with carbon fiber-reinforced polymer (CFRP) plates was carried out. The present research aims to find out whether the crack propagation in a strengthened deep beam follows linear elastic fracture mechanics (LEFM) theory or nonlinear fracture mechanics theory. To do so, a new energy release rate based on nonlinear fracture mechanics theory was formulated on the finite element method and the discrete cohesive zone model (DCZM) was developed in deep beams. To validate and compare with numerical models, three deep beams with rectangular cross-sections were tested. The code results based on nonlinear fracture mechanics models were compared with experimental results and ABAQUS results carried out based on LEFM. The predicted values of initial stiffness, yielding point and failure load, energy absorption, and compressive strain in the concrete obtained by the proposed model were very close to the experimental results. However, the ABAQUS software results have greater differences with the experimental results. For example, the predicted failure load for the shear-strengthened deep beam using the proposed model has only 6.3% differences compared to the experimental result. However, the predicted failure load using ABAQUS software based on LEFM has greater differences (25.1%) compared to the experimental result.

Lanthanum chemical compound incorporates a sensible anionic complexing ability, however lacks stability at low pH scale. Biochar fibers will benefit of their massive space and plethoric useful teams on surface to support metal chemical compound. Herein, wet spinning technology was used to load La3+ onto sodium alginate fiber, and convert La3+ into La2O3 through carbonization. The La2O3 modified biochar (La-BC) fiber was characterized by SEM, XRD and XPS, etc. The adsorption experiment proved that La-BC showed excellent adsorption capacity for chromates, and its saturation adsorption capacity was about 104.93mg/g. The information suggested that the adsorption was in step with both Langmuir and Freundlich model, followed pseudo-second-order surface assimilation mechanics, which instructed that the Cr (VI) adsorption was characterized by single-phase and polyphase adsorption, mainly chemical adsorption. Thermodynamic parameter proved that the adsorption process was spontaneous and endothermic. The mechanistic investigation revealed that the mechanism of adsorption of Cr (VI) by La-BC may include electrostatic interaction, ligand exchange or complexation. Moreover, co-existing anions and regeneration experiments proved that La-BC was recyclable and had a good prospect in the field of chrome-containing wastewater removal.

Hydrogels are used for various biomedical applications due to their biocompatibility, capacity to mimic the extracellular matrix, and ability to encapsulate and deliver cells and therapeutics. However, traditional hydrogels have a few shortcomings, especially regarding their physical properties, thereby limiting their broad applicability. Recently, researchers have investigated the incorporation of nanoparticles (NPs) into hydrogels to improve and add to the physical and biochemical properties of hydrogels. This brief review focuses on papers that describe the use of nanoparticles to improve more than one property of hydrogels. Such multifunctional hydrogel nanocomposites have enhanced potential for various applications, including tissue engineering, drug delivery, wound healing, bioprinting and biowearable devices.

Composite materials are widely used in the dental field in clinics as biomaterials. For example, it has been used as a biomaterial to repair caries and restore masticatory function, and as a cement to adhere the restoration to the tooth substrate. In order to demonstrate its function, dental biomaterials are measured their mechanical strength. From such basic research, we explained the potential of dental biomaterials, especially flexural strength and modulus of elasticity. Mechanical properties of dental biomaterials similar to those of the tooth, thermal stimulation, and aesthetic elements in the oral cavity. In this part, we will introduce the commercialized products of composites suitable for the characteristics and tooth quality, and provide the reader with the characteristics from the flexural characteristics of the composite materials used in clinical dentistry. In clinical performance, it might be advisable to delay polishing when composite biomaterials are used for luting materials, filling materials and core build-up materials since improved the flexural strength and the flexural modulus of elasticity were displayed after 1-day storage. And it is thought that flexural strength or characteristics is a significant important mechanical property of oral biomaterials.

Fresh Ag nanoparticles (NPs) dispersed on a transparent SiO2 exhibit an intense optical extinction band originating in localized surface plasmon resonance (LSPR) in visible range. The intensity of LSPR band weakened when the Ag NPs was stored in ambient air for two weeks. The rate of the weakening and the LSPR wavelength shift, corresponding to visual chromatic changes, strongly depended on the environment in which Ag NPs were set. The origin of a chromatic change was discussed along with both compositional and morphological changes. In one case, bluish coloring followed by a prompt discoloring was observed for Ag NPs placed near the ventilation fan in our laboratory, resulted from adsorption of large amounts of S and Cl on Ag NP surfaces as well as particle coarsening. Such color changes deduce the presence of significant amounts of S and Cl in the environment. In other case, a remarkably blue-shift of LSPR band was observed for the Ag NPs stored in the desiccator made of stainless steel, originated in the formation of CN and/or HCN compounds and surface roughening. Their color changed from maroon to reddish, suggesting that such molecules were present inside the desiccator.

The diffusion process of water molecules within a polyetherimide (PEI) glassy matrix has been analyzed by combining the experimental analysis of water sorption kinetics performed by FTIR spectroscopy with theoretical information gathered from Molecular Dynamics simulations and with the expression of water chemical potential provided by a non-equilibrium lattice fluid model able to describe the thermodynamics of glassy polymers. This approach allowed to construct a convincing description of the diffusion mechanism of water in PEI providing molecular details of the process related to the effects of the cross- and self-hydrogen bondings established in the system on the dynamics of water mass transport.

Metandienone and methyltestosterone are orally available anabolic-androgenic steroids with a 17α-methyl structure that are prohibited in sports but are frequently detected in anti-doping analysis. After the previously reported detection of long-term metabolites with a 17ξ-hydroxymethyl-17ξ-methyl-18-nor-5ξ-androst-13-en-3ξ-ol structure in the chlorinated metandienone analog dehydrochloromethyltestosterone (“Oral Turinabol”), in this study we investigated the formation of similar metabolites of metandienone and 17α-methyltestosterone with a rearranged D-ring and a fully reduced A-ring. Using a semi-targeted approach including synthesis of reference compounds, two diastereomeric substances, viz. 17α-hydroxymethyl-17β-methyl-18-nor-5β-androst-13-en-3α-ol and its 5α-analog, were identi-fied following an administration of methyltestosterone. In post-administration urines of metandienone, only the 5β-metabolite was detected. Additionally, 3α,5β-tetrahydro-epi-methyltestosterone was identified in the urines of both administrations besides the classical metabolites included in the screening procedures. Besides their applicability for anti-doping analysis, the results provide new hypotheses on the metabolism of 17α-methyl steroids with respect to the order of reductions in the A-ring and the participation of different enzymes.

This paper has experimentally measured volcanic tufa electrical conductance. The calculations are carried out in accordance with the potential of cyclic voltammetry in a constant state. The cyclic voltammograms nanoelectrode platinum prepared electrochemically were examined in the range -0.2 to 1.2 V vs. AgCl [Cl^-]:1.0 M in the presence and absence of volcanic tuff in the aqueous solution of 1.0 M HCl. The cyclic voltammetry studies show that the Nano platinum film suffers degradation when the potential exceeds +0.85 V, and below this potential, it is quite stable. The redox reaction of the electrode is reversible. The nanoparticle platinum synthesized at low temperature and high acid concentration exhibits higher electronic conductivities. It has been observed that, relative to area under the peak aggregate tests, the use of volcanic concrete was showing a large increase in electrical conductivity. It was shown that with cyclic voltammetry, three well-defined anode peak could be achieved at a power of 0.0, 0.4 and 0.6 V versus Ag/AgCl.

Abstract: This work is part of the interest of solving the problems of water contamination with last generation pollutants, for which a novel and in an aqueous medium FeBTC material incorporated with magnetite nanoparticles was proposed. That material was synthesized by in situ solvothermal method, the Fe3O4 nanoparticles were added during the Fe-BTC MOF synthesis and used in the drug’s adsorption. The materials were characterized by XRD, FTIR and Raman spectroscopy, and N2-physisorption at 77 K. Fe3O4-FeBTC material showed a maximum adsorption capacity of 357.1 mg g−1 for diclofenac sodium, 70.9 mg g−1 for naproxen sodium, and 122.9 mg g−1 for Ibuprofen. A pseudo-second-order kinetic model can describe the adsorption process, and the thermodynamic study revealed that the adsorption of the three drugs was a feasible, spontaneous, and exothermic process. The incorporation of magnetite nanoparticles in the FeBTC considerably increased the adsorption capacity of pristine FeBTC. Also, hybridization of the FeBTC with magnetite nanoparticles reinforced the most vulnerable part of the MOF, increasing its thermal and aqueous media stability. The electrostatic interaction, H-bonding, and interactions in the open-metal sites played a vital role in drug adsorption. The competition of sites in the multicomponent mixture's adsorption showed selective adsorption at diclofenac sodium and naproxen sodium.

Chemotherapy represents the most applied approach to cancer treatment. Owing to the frequent onset of chemoresistance and tumor relapses, there is an urgent need to discover novel and more effective anticancer drugs. In search for therapeutic alternatives to treat the cancer disease, a se-ries of hybrid pyrazolo[3,4-d]pyrimidin-4(5H)-ones tethered with hydrazide-hydrazones, 5a-h, was synthesized from condensation reaction of pyrazolopyrimidinone-hydrazide 4 with a series of arylaldehydes in EtOH, in acid catalysis. In vitro assessment of antiproliferative effects against MCF-7 breast cancer cells, unveiled that 5a, 5e, 5g, and 5h were the most effective compounds of the series and exerted their cytotoxic activity through apoptosis induction and G0/G1 phase cell-cycle arrest. To explore their mechanism at a molecular level, 5a, 5e, 5g, and 5h were evalu-ated for their binding interactions with two well-known anticancer targets, namely the epider-mal growth factor receptor (EGFR) and the G-quadruplex DNA structures. Molecular docking simulations highlighted high binding affinity of 5a, 5e, 5g, and 5h towards EGFR. CD experi-ments suggested 5a as a stabilizer agent of the G-quadruplex from the KRAS oncogene promot-er. In the light of these findings, we propose the pyrazolo-pyrimidinone scaffold bearing a hy-drazide-hydrazone moiety as a lead skeleton for designing novel anticancer compounds.

Carbon capture and storage has gotten increased attention during the last decade, and several full-scale projects are currently being planned. This requires transportation of large quantities of CO2 from the capturing plant to the end point. From economic and public acceptance point of view it is important to ensure that the transportation system is operated in a safe manner. Thus, avoiding threats like corrosion or formation of particles are important. It is therefore required to monitor that the transported CO2 fulfils the required specifications, and in practice this means that the impurity content of the CO2 must be analysed. CO2 will in most cases be transported in the liquid or supercritical state (high pressure), which makes the practicalities around chemical analysis more difficult. Phase transition from liquid or supercritical state to gaseous state may also introduce several physiochemical effects that may affect the analysis. This paper discusses technical and practical challenges with such types of analysis. Most of this work is based on experience that was gained during development of analytical system for dense phase CO2 in a joint industry project that studied corrosion and chemical reactions in a simulated CO2 transport system.

Fourier transform infrared (FTIR) absorption spectroscopy of cold molecules and clusters in supersonic slit jet expansions complements and extends more sensitive action spectroscopy techniques and provides important reference data for the latter. We describe how its major drawback, large substance and carrier gas consumption, can be alleviated by one to two orders of magnitude via direct and continuous recycling of the gas mixture. This is achieved by a combination of dry rotary lobe and screw pump compression. The signal-to-noise ratio is boosted by the established buffered giant gas pulse technique with full interferogram synchronization. The buildup of water impurities typically limits the recycling gain, but is turned into a feature for the study of hydrate complexes of volatile molecules. Continuous operation with a single gas filling over several days becomes practical and useful. Decadic absorbances in the low ppm range are detectable and the mid infrared range can be recorded simultaneously with the near infrared. The less straightforward hydration number assignment of spectral features in direct absorption spectroscopy is supported by a gradual water buildup at a rate of less than 0.5 mg/h. A recent reassignment proposal for the water dimer OH stretching spectrum is refuted and vibrational spectra of vacuum-isolated 18O-water clusters are presented for the first time. Methanol docking on asymmetric ketones is used to illustrate the advantages and limitations of the recycling concept. Previous assignments of the hydrate complex of 1-phenylethanol are confirmed. Additional features of the setup await testing and refinement, but the recycling technique already substantially widens the applicability of direct absorption spectroscopy of neutral molecular clusters. It may be attractive for other high-throughput jet spectrometers.

In recent years, many researchers have begun to shift their focus onto the synthesis of nanomaterials as this field possesses immense potential that may provide incredible technological advances in the near future. The downside of conventional synthesis techniques, such as co-precipitation, sol-gel and hydrothermal methods, is that they necessitate the use of toxic chemicals, produce harmful by-products and require a considerable amount of energy; therefore, more sustainable fabrication routes are sought after. Biological molecules have been previously utilised as precursors to nanoparticle synthesis, thus eliminating the negative factors involved in traditional methods. In addition, transition-metal nanoparticles possess a wide scope of applications due to their multiple oxidation states and large surface areas; thereby allowing for a higher reactivity when compared to their bulk counterpart and rendering them an interesting research topic. However, this field is still relatively unknown and unpredictable. Therefore, this review aims to obtain a better understanding on the plant-mediated synthesis process of the major transition-metal and transition-metal oxide nanoparticles, and how different parameters affect their unique properties.

A renewable cyclic monoterpene obtained from citrus peel, limonene is widely used as a fra-grance, nutraceutical ingredient, antibacterial, biopesticide, and green extraction solvent. Indus-trial demand largely exceeds supply. After reviewing recent advances in the recovery of limonene from citrus peel and residues with a particular attention to benign-by-design extractive processes, we focus on the latest results in its dehydrogenation to p-cymene via heterogeneous catalysis.

Collagen is the most abundant protein in the animal kingdom. Industrial collagen is mainly bovine and porcine origin. However, due to religious beliefs, allergic issues, and infectious diseases, alternative sources of collagen as marine are gaining increasing interest. In this work, the acid-soluble collagen (ASC) were extracted from salt-cured Atlantic cod (Gadus morhua) skin and characterized. The extraction yield was about 2.0%, equivalent to the extraction yield reported for other fish skins. The electrophoretic pattern showed the typical type I structure (α, β and γ chains). UV-VIS and FTIR absorbance spectra suggested a very pure ASC with an intact triple helical structure. The integrity and the adequate porosity required for different applications were then confirmed by electron micrograph. Our findings allow us to say that, for the first time, we extracted acid-soluble type I collagen from salt-cured Atlantic cod skin, with characteristics suitable for application in various fields, such as biomedical.

In this paper, a novel synthesis for a chemical precursor for nanocrystalline VO2 coatings is elaborated. The compatibility of the precursor towards the substrate is optimized for spin coating. This is done by subjecting multiple solvents to contact angle measurements. A suitable thermal treatment is developed to densify the coating and to induce crystallization. Afterwards the microstructure of the coating is investigated using X-Ray diffraction, electron microscopy and ellipsometry techniques. To assess the thermochromic properties of the fabricated device, optical transmission experiments were conducted both at room temperature and at elevated temperature. A correlation between these thermochromic properties and coating thickness was investigated in order to obtain an optimized thermochromic device, where both high visual transparency and prominent thermochromic switching abilities are aimed for. In this work, an optimal coating thickness is proposed for a thermochromic coating with high switching ability and solar modulation.

Clinker production is being reduced worldwide in response to the need to drastically lower greenhouse gas emissions. The trend began in the nineteen seventies with the advent of mineral additions to replace clinker. Blast furnace slag and fly ash, industrial by-products that were being stockpiled in waste heaps at the time, have not commonly been included in cements. Supply of these additions is no longer guaranteed, however, due to restrained activity in the source industries for the same reasons as in clinker production. The search is consequently on for other additions that may lower pollutant gas emissions without altering cement performance. In this research bentonite, a very common clay, was used as such an addition directly, with no need for pre-calcination, an still novel approach that has gone little explored to date for reinforced concrete with structural applications. The results of the mechanical strength and chemical resistance (to sulfates, carbonation and chlorides) tests conducted are promising. The carbonation findings proved to be of particular interest, for that is the area where cement with mineral additions tend to be least effective. In the bentonite-bearing material analysed here, however, carbonation resistance was found to be low as or lower than observed in plain Portland cement.