The efficiency of cold steel rolling depends mainly on the quality of the metal-working coolant (MWC) and its cost. In this connection, it is actual to search for new compositions of lubricants and emulsions, which provide the lowest values of the friction coefficients in deformation zone and are obtained by waste recycling in other industries. In this study we have developed new compositions of the MWC on basis of mono- and diglycerides and their esters of boric acid synthesized from the wastes of sunflower oil production. The new compositions of MWC were tested in DSEA on laboratory rolling mill 100x100 with a roll diameter of 100 mm. The efficiency of new MWC during cold rolling of brass L63 samples was determined by factor of metal stretch forming λ. We found the new metal-working coolants to show the most efficiency under higher cobbing that provides the highest metal stretch forming. The composition with 30 % of mono- and diglycerides is the most effective because it provides the minimum coefficient of friction that leads to increase of factor of metal stretch forming. Thereby the metal-working coolants on basis of mono- and diglycerides obtained from the wastes of sunflower oil production can be recommended for use in strip rolling of copper-zinc alloys because of a low cost, availability and high efficiency.

In this paper a perspective on the application of spatially- and Angle- Resolved PhotoEmission Spectroscopy (ARPES) for the study of two-dimensional (2D) materials is presented. ARPES allows the direct measurement of the electronic band structure of materials generating extremely useful insights into their electronic properties. The possibility to apply this technique to 2D materials is of paramount importance because these ultrathin layers are considered fundamental for future electronic, photonic and spintronic devices. In this review an overview of the technical aspects of spatially localized ARPES is given along with a description of the most advanced setups for laboratory and synchrotron-based equipment. This technique is sensitive to the lateral dimensions of the sample, therefore a discussion on the preparation methods of 2D material is presented. Some of the most interesting results obtained by ARPES are reported in three sections including: graphene, transition metal dichalcogenides (TMDCs) and 2D heterostructures. Graphene has played a key role in ARPES studies because it inspired the use of this technique with other 2D materials. TMDCs are presented for their peculiar transport, optical and spin properties. Finally, the section featuring heterostructures highlights a future direction for research into 2D material structures.

Fiber-metal laminates (FMLs) such as Kevlar reinforced aluminum laminate (ARALL), Carbon reinforced aluminum laminate (CARALL), and Glass reinforced aluminum laminate (GLARE) offer great potential for weight reduction applications in automobile and aerospace construction. In order to investigate the feasibility for utilizing such materials in the form of laminates, sheet hydro-bulging tests are studied under the condition of uniform blank holder force for three-layered aluminum and aluminum-composite laminates using orthogonal carbon and Kevlar as well as glass fiber in the middle. The experimental results validate the finite element results and they exhibited that the forming limit of glass fiber in the middle is the highest among the studied materials, while carbon fiber material performs the worst. Furthermore, the crack modes are different for the three kinds of fiber materials investigated in the research. This study provides fundamental guidance for the selection of multi-layer sheet materials in the future manufacturing field.

Substituted bis(iminophosphoranyl)methanes are CH acidic compounds that can form complexes with formally dianionic central carbon centres. The reaction of H₂C(Ph₂P=NDip)₂ (≡ H₂L), Dip = 2,6-diisopropylphenyl, with one equivalent of di-n-butylmagnesium afforded the methanide complex [HLMgnBu] 1. Treatment of complex 1 with phenylsilane in aromatic solvents at elevated temperatures afforded the methanediide complex [(LMg)₂] 2 presumably via the MgH intermediate [(HLMgH)_n] (n = 1 or 2). The reaction of 1 with LiAlH₄ in diethyl ether yielded the AlH complex [HLAlH₂] 3. Alternatively, this complex was also obtained from the reaction of H₂L with AlH₃∙NMe₃. The molecular structures of [HLMgnBu] 1, [(LMg)₂] 2, and [HLAlH₂] 3 are reported. Complex 3 shows no sign of H₂ elimination to a methanediide species at elevated temperatures in contrast to the facile elimination of the putative reaction intermediate [(HLMgH)_n] (n = 1 or 2) to form [(LMg)₂] 2. The chemical properties of complex 2 were investigated and this complex appears to be stable against coordination with strong donor molecules.

The recycling of lithium-ion batteries (LIBs) has become increasingly important due to the rising demand for energy storage solutions and the need to mitigate environmental impacts. Among the valuable materials within spent LIBs, lithium metal oxide is particularly sought after for its role in battery production. This review explores the application of microwave technology in combination with froth flotation and magnetic processes for the recovery of lithium metal oxide from spent LIBs. Microwave technology has emerged as a promising method for LIB recycling due to its ability to selectively heat materials and accelerate chemical reactions. In the context of lithium metal oxide recovery, microwave irradiation offers advantages such as rapid and uniform heating, selective heating of target compounds, and enhanced reaction kinetics. These attributes contribute to reduced processing times, lower energy consumption, and improved recovery efficiency. Froth flotation is a widely used separation technique that exploits differences in surface hydrophobicity to separate minerals. In LIB recycling, froth flotation has been adapted to recover lithium metal oxide from electrode materials. The incorporation of microwave technology into froth flotation processes provides several benefits. Microwaves selectively heat lithium metal oxide particles, facilitating their detachment from the electrode surface and enhancing their recovery. Additionally, microwave-assisted pretreatment promotes the liberation of active materials, leading to increased exposure to flotation reagents and improved recovery rates. Moreover, microwave-assisted froth flotation requires lower temperatures and shorter flotation times, resulting in energy savings and reduced operating costs. Magnetic separation is another method commonly used in LIB recycling to recover magnetic materials such as cobalt and nickel. By exploiting the magnetic properties of these materials, magnetic separation enables their separation from non-magnetic components. Integrating microwave technology into magnetic separation processes offers opportunities for enhanced efficiency and selectivity. Microwave irradiation can assist in the liberation of magnetic materials from electrode materials, promoting their separation. Furthermore, microwave-assisted magnetic separation can operate at lower temperatures and shorter processing times, contributing to energy efficiency and cost-effectiveness. The application of microwave technology in conjunction with froth flotation and magnetic processes shows promise for the efficient recovery of lithium metal oxide from spent LIBs. The synergistic effects of microwave irradiation with these separation techniques lead to improved recovery rates, reduced energy consumption, and lower environmental impact. However, further research is needed to optimize process parameters, scale up operations, and address challenges such as material heterogeneity and equipment design. With continued innovation and collaboration, microwave-assisted recycling processes have the potential to play a significant role in advancing sustainable battery recycling practices.

The aim of this study involved the optimisation of the processes of laser cladding using statistical tools to improve the mechanical properties of the clad WC/Co/Ni deposits and to obtain the required weld for practical applications. The effect of laser cladding parameters on wear properties of welds was determined by using orthogonal array tests and analysis of variance. It was found that Co content, Ni content, laser power and scanning height were significant factors affecting WC/Co/Ni welds. In addition, the significant factor in response surface method was used to construct the response surface model based on the data from the orthogonal array experiment that was designed by Taguchi. The experimental results showed that a look at the microstructural evolution shows that white initially precipitated carbides are present, grey areas are WC mixed with Co and Ni compounds, meanwhile, the wear structure is an internal extension of unmelted WC, with greater plastic deformation in the Co-based alloys, and to a lesser extent in the Ni-based alloys, and even smaller plastic deformation in the WC-Co-Ni alloys. By adding nickel/cobalt alloys, the composite coating extension is seen to have good anti-wear performance. Based on the regression model of the wear by laser cladding, a pairwise interaction model in RSM was developed, which was further deepened to develop a three-dimensional contour pairwise interaction model of the wear behaviour. The results show that the predicted values of the RSM for wear performance are very close to the experimental data, which proves the effectiveness of the Taguchi design-based RSM in improving the mechanical properties of laser cladding.

Omega-3 polyunsaturated fatty acids (ɷ-3 PUFAs) offer diverse health benefits, such as supporting cardiovascular health, improving cognitive function, promoting joint and musculoskeletal health, and contributing to healthy aging. Despite their advantages, challenges like oxidation susceptibility, low bioavailability, and potential adverse effects at high doses persist. Nanoparticle encapsulation emerges as a promising avenue to address these limitations while preserving stability, enhanced bioavailability, and controlled release. This comprehensive review explores the therapeutic roles of omega-3 fatty acids, critically appraising their shortcomings and delving into modern encapsulation strategies. Furthermore, it explores the potential advantages of Metal-organic framework nanoparticles (MOF NPs) compared to other commonly utilized nanoparticles in improving the therapeutic effectiveness of omega-3 fatty acids within drug delivery systems (DDS). Additionally, it outlines future research directions to fully exploit the therapeutic benefits of these encapsulated omega-3 formulations for cardiovascular disease treatment.

Metal-organic frameworks (MOFs) have been subject of extensive scientific investigation in the last three decades and, currently, are one of the type of compounds most studied to be potentially applied in a wide range of distinct catalytic processes. Pristine MOF compounds provide several intriguing benefits for catalytic applications, including high interior surface areas and densities of active sites, allowing high catalytic reaction rates per volume, post-synthesis modified with com-plementary catalytic groups, enabling multiple functional groups to catalyze the reaction. Most of large-scale catalytic applications, including those in fuel processing, gas emission reduction and chemical synthesis, nevertheless the pristine MOFs often reveal limited stabilities and opportuni-ties for regeneration at high temperatures. As a result, the real applications of MOFs in these tech-nologies are likely to be constrained, and their controlled thermal modification aiming the prepa-ration of MOF-derivative compounds has been applied to induce crystalline structural changes and increase their structural stability, enhancing its potential applicability in more severe catalytic processes. Recent advances concerning the use of this strategy to boost the catalytic potential of the MOF-derivative compounds are outlined in this short-review article.

Due to the difficult metallurgical conditions during production, advanced processing techniques are required to produce functionally graded metal matrix composites. In this study, we explored a novel approach by using a combination of two different methods to produce Functionally Graded 7075 Al / SiCp composites. First process was direct semi-solid stirring that was used to prevent particle agglomeration, brittle reaction products, floating or settling of the reinforcements and poor wettability for the production of SiCp (wt. 5-20%) reinforced aluminum matrix composites. In the direct semi-solid mixing process, the matrix material remains in a semi-solid state until the reinforcement addition process is completed. The second novel process was sequential squeeze casting to provide liquid diffusion between two composite layers that were used to produce functionally graded aluminum matrix composite. The microstructure and interlayer zones were characterized by using optical microscopy and scanning electron microscopy. The resulting functionally graded material was subjected to spectrometer analyses, density measurements, and metallographic examinations in order to determine the characteristics of its layers and interfacial zones, as well as to assess the formation of the graded structure. The results obtained from this research provide the potential to use this new combined manufacturing method, which is relatively inexpensive, efficient and easily applicable, in order to produce functionally graded SiCp reinforced aluminum composites.

This comprehensive review explores recent advancements in heavy metal remediation techniques, focusing on the utilization of cellulose-silica composites and tailored surface modification techniques. We examine the synthesis strategies and properties of cellulose-silica adsorbents, highlighting their enhanced adsorption capacities and structural robustness for removing heavy metal pollutants from aqueous environments. The review investigates various surface modification approaches, including thiol-functionalization, amino acid grafting, and silane coupling agents, for optimizing the surface chemistry and morphology of cellulose-silica composites. Mechanistic insights into the adsorption processes and kinetics of modified adsorbents are discussed, along with considerations for optimizing adsorption performance under different environmental conditions. This review provides valuable perspectives on the development of effective adsorbent materials for sustainable heavy metal remediation applications.

Protein tyrosine phosphatases (PTPs) of the polymerase and histidinol phosphatases (PHP) superfamily with characteristic phosphatase activity dependent on divalent metal ions are found in many gram-positive bacteria. Although members of this family are co-purified with metal ions, they still require the exogenous supply of metal ions for full activation. However, the specific roles these metal ions play during catalysis are yet to be well understood. Here, we report the metal ion requirement for phosphatase activities of S. aureus Cap8C and L. rhamnosus Wzb. AlphaFold-predicted structures of the two PTPs suggest that they are members of the PHP family. Like other PHP phosphatases, the two enzymes have catalytic preference for Mn2+, Co2+, and Ni2+ ions. Cap8C and Wzb show an unusual thermophilic property with optimum activities over 75oC. Pre-incubation experiments show that the two enzymes are not inherently thermostable suggesting that certain catalytic step(s) in the reaction mechanism has a high activation energy. Consistent with this model, the activity-temperature profiles of the two enzymes are dependent on the divalent metal ion activating the enzyme.

Tantalum oxide thin films are deposited by DC reactive magnetron sputtering from a tantalum metallic target and oxygen as reactive gas. The reactive gas pulsing process (RGPP) is implemented to produce TaOx compounds with tunable chemical compositions. The argon mass flow rate is maintained constant whereas that of the oxygen gas is pulsed during the deposition. A constant pulsing period T = 10 s is used and the introduction time of the oxygen gas, namely the tON injection time, is systematically changed from 0 to 100 % of the pulsing period T. As the tON injection time increases, the chemical composition of as-deposited TaOx films is continuously changed from pure metallic tantalum to the over-stoichiometric Ta2O5 material. Analysis of the crystallographic structure by X-ray diffraction shows that the films adopt the body-centered cubic structure (metallic Ta) for the lowest tON injection time values (oxygen stoichiometry x < 1.0) and become amorphous for the longest tON injection times. It is shown that the tON injection time is a key parameter to produce either homogeneous tantalum oxides, or periodic Ta/TaOx multilayers with alternations close to 3 nm. Similarly, optical transmittance spectra of the film/glass substrate system are recorded in the visible region and the electrical conductivity of the films is measured vs. temperature. Both exhibit a gradual evolution from metallic (300K = 8.17105 S m-1 with a null optical transmittance in the visible range) to semi-conducting (300K = 1.97103 S m-1 with a semi-transparent behavior) and finally to dielectric properties (300K < 10-5 S m-1 for interferential films) as a function of the oxygen concentration in the films.

Methane and carbon dioxide are the main contributors to global warming, being the methane effect twenty-five times more powerful than carbon dioxide. Although the sources of methane are diverse, it is a very volatile and explosive gas. One way to store the energy content of methane is its conversion to methanol. Methanol is liquid under ambient conditions, easy to transport and, apart from its use as an energy source, it is a chemical platform that can serve as a starting material for the production of various higher value-added products. Accordingly, the transformation of methane to methanol has been extensively treated in the literature, using traditional catalysts as different types of zeolites. However, in the last years, a new generation of catalysts have emerged to carry out this transformation with higher conversion and selectivity, and more importantly, under mild temperature and pressure conditions. These new catalysts typically involve the use of a highly porous supporting material such as zeolite, or more recently, metal-organic frameworks (MOFs) and graphene, and metallic nanoparticles or a combination of different types of nanoparticles that are the core of the catalytic process. In this review, the characteristics, the catalytic mechanisms, reactors, and the main results of these catalysts are presented as a way to overcome the challenges found in traditional catalysts.

The objective of this study is to design and synthesize substituted η6-chromium tricarbonyl metal complexes carrying o-carborane units as potential boron neutron capture therapy (BNCT) agents. In this study, 1,2-Diphenyl-o-carborane units were used as starting materials to generate biologically active species. We investigated how the structural changes of 1,2-diphenyl-o-carborane substituted with chromium(0) tricarbonyl affect the biological properties; [(CO)3Cr]Ph2C2 (2) and [(CO)3Cr]2Ph2C2 (3) species were produced in moderate yields. The molecular structures of compounds 1–3 were identified and established by infrared (IR), 1H, 11B, and 13C nuclear magnetic resonance (NMR), and X-ray crystallography analyses. Crystal structures of o-carboranyl chromium complexes 1 [a = 10.859(1) Å, b = 24.953(3) Å, c = 13.938(2) Å, β = 111.854(2)º], 2 [a = 10.621(3) Å, b = 17.056(5) Å, c = 12.174(4) Å, β = 106.622(5)º], and 3 [a = 17.540(2) Å, b = 18.060(2) Å, c = 19.484(4) Å, α = 105.746(2)º, β = 110.226(2)º, γ = 91.256(2)º] were obtained. In vitro study using B16 and CT26 cancer cells containing the triphenyl-o-carboranyl chromium (0) complexes Ph3C2BCr2 and Ph3C2BCr3, which we have previously reported, the compounds 2 and 3 accumulated at higher levels than compounds Ph3C2BCr2 and Ph3C2BCr3. However, the phenylated o-carboranyl chromium(0) complexes have been found to be more cytotoxic than p-boronophenylalanine (BPA).

This paper aims at addressing the exploitation of solid-state carriers for hydrogen storage, with attention paid both to the technical aspects, through a wide review of the available integrated systems, and to the social aspects, through a preliminary overview of the connected impacts from a gender perspective. As for the technical perspective, carriers to be used for solid-state hydrogen storage for various applications can be classified into two classes: metal and complex hydrides. Related crystal structures and corresponding hydrogen sorption properties are reviewed and discussed. Fundamentals of thermodynamics of hydrogen sorption evidences the key role of the enthalpy of reaction, which determines the operating conditions (i.e. temperatures and pressures). In addition, it rules the heat to be removed from the tank during hydrogen absorption and to be delivered to the tank during hydrogen desorption. Suitable values for the enthalpy of hydrogen sorption reaction for operating conditions close to ambient (i.e. room temperature and 1-10 bar of hydrogen) are close to 30 kJ·molH2 1. The kinetics of hydrogen sorption reaction is strongly related to the microstructure and to the morphology (i.e. loose powder or pellets) of the carriers. Usually, kinetics of hydrogen sorption reaction is rather fast, and the thermal management of the tank is the rate determining step of the processes. As for the social perspective, various scenarios for the applications in different socio-economic contexts of solid-state hydrogen storage technologies are described. As it occurs with the exploitation of other renewables innovative technologies, a wide consideration of the social factors connected to these processes is needed to assess the extent to which a specific innovation might produce positive or negative impacts in the recipient socio-economic system and to explore the potential role of the social components and dynamics in fostering the diffusion of the innovation itself. Attention has been addressed to the gender perspective, in view of the enhancement of hydrogen-related energy storage systems, intended both in terms of the role of women in triggering the exploitation of hydrogen-based storage as well as to the impact of this innovation in their current conditions, at work and in daily life.

Heavy metals have adverse effects on microalgae growth and metabolism. Photosynthesis and lipid profile are quite sensitive to heavy metal toxicity. The impact of chromium (Cr) on growth and photosynthetic activity of Dictyosphaerium pulchellum and Micractinium pusillum exposed to different concentrations (0 – 500 μg L-1) was investigated for 11 days. The influence of Cr on cell density and cell number followed similar trends, indicating a possible correlation among these growth responses. A significant (p < 0.05) increase in lipid content was observed with the increasing concentration of Cr however, growth was suppressed at higher concentrations exceeding 100 μg L-1. Addition of Cr in the cell culture medium showed a negative effect on quantum yield (Fv/Fm) and a photosynthetic inhibition of > 65% was noted in both species at 500 μg L-1. However, the lipid gravimetric analysis presented inner cell lipid content up to 36% and 30% of dry weight biomass for D. pulchellum and M. pusillum, respectively. The effects of chromium on growth and lipid accumulation in both microalgae species was concentration and exposure time dependent. This shows that an appropriate concentration of chromium in culture medium could be beneficial for higher lipid accumulation in freshwater eukaryotic microalgae species.

The influence of the Fe2O3 addition amount on the dephosphorization of hot metal at 1623 K with the slag of the low basicity (CaO/SiO2) of about 1.5 was investigated by using high-temperature laboratorial experiments. With increasing the Fe2O3 addition amount, the contents of [C], [Si], [Mn] and [P] in hot metal at the end of dephosphorization decrease, and the corresponding removal ratios increase. The P2O5 content in slag increases, and the CaO and SiO2 contents in slag decrease. The phosphorus mainly exists in the form of the nCa2SiO4-Ca3(PO4)2 solid solution in the phosphorus-rich phase and the value of coefficient n decreases from 20 to 1 with increasing the Fe2O3 addition amount from 5 g to 30 g. With increasing the Fe2O3 addition amount, the oxygen potential and activity at the interface between the slag and hot metal increase. When the oxygen potential and the oxygen activity at the interface are greater than 0.72×10-12 and 7.1×10-3, respectively, the dephosphorization ratio begins to increase rapidly. With increasing the Fe2O3 addition amount to 30 g, the ratio of the Fe2O3 addition amount to theoretical calculation consumption is around 175%, and the dephosphorization ratio reaches the highest value of 83.3%.

This article presents the development of the theoretical background and the design of an electronic device for monitoring the condition of a gapless Metal Oxide Surge Arrester (MOSA). The device is intended to be used online. Due to the inaccessibility and possible remote location of most surge arresters, it is equipped with a communication system, allowing the device to convey the measurement of the surge arrester characteristics under any conditions. By gathering measurements of the surge arrester’s resistive component of leakage current, it is possible to determine the condition of the MOSA. After interpreting the results, these can be sent via a data transfer unit to a server, which, in turn, sends it onward to the authorised personnel through the surge arrester control centre.

In this work, the manufacture of thin walls with sharp corners has been optimized by adjusting the limits of a 3-axis cartesian kinematics through data recorded and analyzed off-line, such as axis speed, acceleration and the positioning of the X and Y axes. The study was carried out with two powder materials (SS316L and IN718) using the directed energy deposition process with laser. 1 mm thick walls were obtained with only one bead per layer and straight/sharp corners at 90º. After adjusting the in-position parameter G502 for positioning precision on the FAGOR 8070 CNC system, it has been possible to obtain walls with minimal accumulation of material in the corner, and with practically constant layer thickness and height, with a radii of internal curvature between 0.11 and 0.24 mm for two different precision configuration. The best results have been obtained by identifying the correct balance between the decrease in programmed speed and the precision in the positioning to reach the point defined as wall corner, with speed reductions of 29% for a programmed speed of 20 mm/s and 61% for a speed of 40 mm/s. The walls show minimal defects such as residual porosities, and the microstructure is adequate.

Residual stress (RS) is the most challenging problem in metal additive manufacturing (AM) since the build-up of high tensile RS may influence the fatigue life, corrosion resistance, crack initiation, and failure of the additively manufactured components. While tensile RS is inherent in all the AM processes, fast and accurate prediction of stress state within the part is extremely valuable and would result in optimization of the process parameters in achieving a desired RS and control of the build process. This paper proposes a physics-based analytical model to rapidly and accurately predict the RS within the additively manufactured part. In this model, a transient moving point heat source (HS) is utilized to determine the temperature field. Due to the high temperature gradient within the proximity of the melt pool area, material experience high thermal stress. Thermal stress is calculated by combining three sources of stresses known as stresses due to the body forces, normal tension, and hydrostatic stress in a homogeneous semi-infinite medium. The thermal stress determines the RS state within the part. Consequently, by taking the thermal stress history as an input, both the in-plane and out of plane RS distributions are found from incremental plasticity and kinematic hardening behavior of the metal by considering volume conservation in plastic deformation in coupling with the equilibrium and compatibility conditions. In this modeling, material properties are temperature-sensitive since the steep temperature gradient varies the properties significantly. Moreover, the energy needed for the solid-state phase transition is reflected by modifying the specific heat employing the latent heat of fusion. Furthermore, the multi-layer and multi-scan aspects of metal AM are considered by including the temperature history from previous layers and scans. Results from the analytical RS model presented excellent agreement with XRD measurements employed to determine the RS in the Ti-6Al-4V specimens.

Three-dimensional porous nanostructures made of noble metals represent novel class of nanomaterials promising for nonlinear nanooptics and sensors. Such nanostructures are typically fabricated using either reproducible yet time-consuming and costly multi-step lithography protocols or less reproducible chemical synthesis that involve liquid processing with toxic compounds. Here, we combined scalable nanosecond-laser ablation with advanced engineering of the chemical composition of thin substrate-supported Au films to produce nanobumps containing multiple nanopores inside. Most of the nanopores hidden beneath the nanobump surface can be further uncapped using gentle etching of the nanobumps by an Ar-ion beam to form functional 3D plasmonic nanosponges. The nanopores 10-150~nm in diameter were found to appear via laser-induced explosive evaporation/boiling and coalescence of the randomly arranged nucleation sites formed by nitrogen-rich areas of the Au films. Density of the nanopores can be controlled by the amount of the nitrogen in the Au films regulated in the process of their magnetron sputtering assisted with nitrogen-containing discharge gas.

Residual stress (RS) is the most challenging problem in metal additive manufacturing (AM) since the build-up of high tensile RS may influence the fatigue life, corrosion resistance, crack initiation, and failure of the additively manufactured components. While tensile RS is inherent in all the AM processes, fast and accurate prediction of stress state within the part is extremely valuable and would result in optimization of the process parameters in achieving a desired RS and control of the build process. This paper proposes a physics-based analytical model to rapidly and accurately predict the RS within the additively manufactured part. In this model, a transient moving point heat source (HS) is utilized to determine the temperature field. Due to the high temperature gradient within the proximity of the melt pool area, material experience high thermal stress. Thermal stress is calculated by combining three sources of stresses known as stresses due to the body forces, normal tension, and hydrostatic stress in a homogeneous semi-infinite medium. The thermal stress determines the RS state within the part. Consequently, by taking the thermal stress history as an input, both the in-plane and out of plane RS distributions are found from incremental plasticity and kinematic hardening behavior of the metal by considering volume conservation in plastic deformation in coupling with the equilibrium and compatibility conditions. In this modeling, material properties are temperature-sensitive since the steep temperature gradient varies the properties significantly. Moreover, the energy needed for the solid-state phase transition is reflected by modifying the specific heat employing the latent heat of fusion. Furthermore, the multi-layer and multi-scan aspects of metal AM are considered by including the temperature history from previous layers and scans. Results from the analytical RS model presented excellent agreement with XRD measurements employed to determine the RS in the Ti-6Al-4V specimens.

Based on electromagnetic heat transfer and metal phase transformation co-simulations, we modeled an AISI 1045 specimen under high-frequency heat treatment. Hardening zone predictions were confirmed through cooling and metal phase transformation simulations after obtaining the results from electromagnetic heat transfer simulations. The cooling process was modeled by applying the cooling coefficient of the cooling water in the same way as the actual heat-treatment process. To obtain the current flowing through the coil during high-frequency induction heating, the voltage was measured and applied using the resistance–inductance–capacitance circuit calculation method. Experimental and simulated results of the heating temperature and curing depth of an AISI 1045 specimen with a carbon content of 0.45% were compared; the comparison indicated good agreement between the two. Using the simulation results, we established a method for obtaining the current flowing through the induction coil for predicting the extent and depth of the hardening zone during high-frequency induction heat treatment.

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

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

Heavy metals are compounds that can be hazardous and impair growth of living organisms. Bacteria have evolved the capability not only to cope with heavy metals but also to detoxify polluted environments. Three heavy metal-resistant strains of Mucilaginibacer rubeus and one of Mucilaginibacter kameinonensis were isolated from the gold/copper Zijin mining site, Longyan, Fujian, China. These strains were shown to exhibit high resistance to heavy metals with minimal inhibitory concentration reaching up to 3.5 mM Cu(II), 21 mM Zn(II), 1.2 mM Cd(II), and 10.0 mM As(III). Genomes of the four strains were sequenced by Illumina. Sequence analyses revealed the presence of a high abundance of heavy metal resistance (HMR) determinants. One of the strain, M. rubeus P2, carried genes encoding 6 putative P1B-1-ATPase, 5 putative P1B-3-ATPase and 4 putative Zn(II)/Cd(II) P1B-4 type ATPase, and 16 putative RND-type metal transporter systems. Moreover, the four genomes carry a high abundance of genes coding for putative metal binding chaperones. Analysis of the close vicinity of these HMR determinants uncovered the presence of clusters of genes potentially associated with mobile genetic elements. These loci include genes coding for tyrosine recombinases (integrases) and subunits of mating pore (type 4 secretion system) respectively allowing integration/excision and conjugative transfer of numerous genomic islands. Further in silico analyses revealed that their genetic organization and gene products resemble the Bacteroides integrative and conjugative element CTnDOT. These results highlight the pivotal role of genomic islands in the acquisition and dissemination of adaptive traits, allowing for rapid adaption of bacteria and colonization of hostile environments.

Hybrid manufacturing processes that combine additive and machining operations are gaining relevance in modern industry thanks to the capability of building complex parts with minimum material and, many times, with process time reduction. Besides, as the additive and subtractive operations are carried out in the same machine, without moving the part, dead times are reduced and higher accuracies are achieved. However, it is not clear whether the direct material deposition after the machining operation is possible or intermediate cleaning stages are required because of the possible presence of residual cutting fluids. Therefore, different LMD tests are performed on a part impregnated with cutting fluid, both directly and after the removal of the coolant by techniques such as laser vaporizing and air blasting. The present work studies the influence of the cutting fluid in the LMD process and the quality of the resulting part. Resulting porosity is evaluated and it is concluded that if the part surface is not properly clean after the machining operation, deficient clad quality can be obtained in the subsequent laser additive operation.

Hot stamping dies include cooling channels to treat the formed sheet. The optimum cooling channels of dies & molds should adapt to the shape and surface of the dies, so that a homogeneous temperature distribution and cooling are guaranteed. Nevertheless, cooling ducts are conventionally manufactured by deep drilling, attaining straight channels unable to follow the geometry of the tool. Laser Metal Deposition (LMD) is an additive manufacturing technique capable to fabricate nearly free-form integrated cooling channels and therefore shape the so-called conformal cooling. The present work investigates the design and manufacturing of conformal cooling ducts, which are additively built up on hot work steel and then milled in order to attain the final part. Their mechanical performance and heat transfer capability has been evaluated, both experimentally and by means of thermal simulation. Finally, conformal cooling conduits are evaluated and compared to traditional straight channels. The results show that LMD is a proper technology for the generation of cooling ducts, opening the possibility to produce new geometries on dies & molds and, therefore, new products.

A series of novel chiral nonmetallocene pincer-type rare earth metal dialkyl complexes bearing the chiral monoanionic tridentate C2-symmetric 1,3-bis(oxazolinymethylidene)isoindoline (BOXMI) ligand (BOXMI)Ln(CH2SiMe3)2 1-3 (1, Ln = Sc, yield = 57%; 2, Ln = Lu, yield = 55%; 3, Ln = Y, yield = 62%) have been prepared in moderate yields via the acid-base reaction between the BOXMI ligand and rare earth metal tri(trimethylsilylmethyl) complexes. The X-ray diffractions show that both of the complexes 1 and 2 contain one Boxmi ligand and two trimethylsilylmethyl ligands, adopting a distorted-trigonal-bipyramidal configuration. In the presence of cocatalyst such as borate and AlR3, these complexes 1-3 exhibit high activities up to 6.8 × 104 (g of polymer)/(molLn h) and high cis-1,4-selectivities up to 97%) in the polymerization of isoprene in toluene, yielding the cis-1,4-polyisoprenes with high molecular weights (Mn up to 710000 g/mol) and bimodal molecular weight distributions (Mw/Mn = 2.0-4.5).

In this work, we investigated the effects of heat treatment on the microstructure, hydrogen storage characteristics and corrosion rate of a Ti₃₄V₄₀Cr₂₄Fe₂ alloy. The arc melted alloy was divided into three samples, two of which were separately quartz-sealed under vacuum and heated to 1000 °C for 1 h; one of these samples was quenched and the other furnace cooled to ambient temperature. The crystal structures of the samples were studied via X-ray diffractometry and scanning electron microscopy. Absorption/desorption characteristics were investigated using a Sievert apparatus. Potentiostat corrosion tests on the alloys were performed using an AutoLab^® corrosion test apparatus and electrochemical cell. All samples exhibited a mixture of body-center-cubic (BCC) and Laves phase structures. The corrosion rate, maximum absorption, and useful capacities increased after both heat treatments. The annealed sample had the highest absorption and reversible capacity. The plateau pressure of the as-cast alloy increased after quenching. The corrosion rate increased from 0.0004 mm/y in as-cast sample to 0.0009 mm/y after annealing and 0.0017 mm/y after quenching, due to a decrease in the Cr-content of the C14 phase.

The mechanistic pathway of TEMPO/I₂-mediated oxidative cyclization of N,N-diaryl amino alcohols 1 is investigated in this study. Based on our direct empirical experiments, three key intermediates (the aminium radical cation 3, the α-aminoalkyl radical 4, and the iminium 5), four kind reactive species (radical TEMPO, cationic TEMPO, TEMPO-I and iodo radical) and three kind pathways (1. SET/PCET mechanism, 2. HAT/1,6-H transfer mechanism, 3. Ionic mechanism) were assumed. Under the assumption, nine free energy diagrams are acquired through DFT calculation. From the comparison of the solution phase free energy, some possibility can be excluded and then the chosen plausible mechanisms are concretized with the more stable intermediate 7.

A novel experimental technique, quasi-equilibrated temperature-programmed desorption and adsorption (QE-TPDA) was used to study the water sorption properties and hydrothermal stability of aluminum trimesate MIL-96 and aluminum isophthalate CAU-10, which have been selected due to their remarkable sorption properties. The QE-TPDA profiles of water observed for MIL-96 and CAU-10 confirmed the hydrophilic nature of these materials. Complex QE-TPDA profiles indicate that water sorption in MIL-96 follows a three-step pore filling mechanism. The shape of single desorption peaks in the QE-TPDA profiles for CAU-10 confirms that water sorption involves a reversible phase transition. Based on the QE-TPDA profiles, the water adsorption heat were determined: 45-46 kJ/mol for CAU-10 and 43-56 kJ/mol for MIL-96, in the latter case depending on the adsorption extent. Hydrothermal stability tests revealed that MIL-96 retained its stable porosity-related sorption capacity for water after hydrothermal treatment up to 290°C. Gradual changes in the QE-TPDA profiles due to the hydrothermal treatment above 290°C, with decreasing the high-temperature desorption peak and increasing the low-temperature one, indicate minor structural changes occurring in this material. Only after 410° C treatment was fast degradation of MIL-96 observed. CAU-10 exhibited high and unchanged hydrothermal stability up to 400°C.

Additive Manufacturing (AM), also know as 3D Printing (3DP), is a widely used layer-by-layer manufacturing process, it is evolving rapidly both in research and industry. Among all AM methods, Material Extrusion (ME) is one of the most popular techniques. Based on ME, another new AM method is developed, which is Low-cost Metal Material Extrusion (LCMME). In this newly developed process, pure metallic parts could be fabricated after sintering the metal infused additively manufactured parts. Both AM and sintering process parameters will have influence on the quality of the final pure metallic parts. In this research, several statistics methods were used to analyze the data gotten from the experiment. Then two Machine Learning (ML) algorithms were used to predict the Surface Roughness (SR) of the final specimens. Additionally, the results show that the neural network (NN) is more accurate than the support vector regression (SVR) on prediction.

Molecular cages have promising host-guest properties for drug delivery applications. Specifically, guest⊂cage complexes can be used for on-command release of encapsulated guest molecules in response to specific stimuli. This research explores both dynamic and constrictive binding guest⊂cage systems for drug encapsulation and release in biological environments. In dynamic systems, the guest rapidly passes in and out through the portals of the cage, enabling drug delivery in vitro but facing limitations in vivo due to dilution effects that result in guest release. These challenges are addressed by constrictive binding systems, where the guest is trapped in a "gate-closed" state within the cage. In these systems, the on-command release is triggered by a "gate opening" event, which lowers the guest-out energy barrier. The full guest release is achieved when gate opening reduces the cage-guest affinity, making constrictive binding systems more effective for controlled drug delivery. As a result, this study shows that guest⊂cage complexes have suitable properties for drug delivery in biological contexts.

The production of high stiffness Ti-based Metal Matrix Composites (Ti-MMCs) displaying significant ductility by additive manufacturing technologies is not yet at the level of conventionally produced Ti-MMCs. This study outlines the production process of stiffness-driven Ti-TiC MMCs displaying a remarkable ductility. The process consists in powder Mechanical Blending, Laser Powder Bed Fusion (LPBF), and a heat treatment. A TiC fraction of more than 20 vol% was formed in-situ through the reaction of titanium with carbon during the LPBF process. The as-built sub-stoichiometric TiC dendrites are converted in equiaxed TiC grains during the heat treatment. The TiC C/Ti ratio was found to be close to 0.5 in as-built conditions, and 0.7 in heat treated conditions, resulting in an effective reinforcement content nearly twice the one expected for stoichiometric TiC, leading to stronger reinforcement. The mechanical analysis revealed a Young’s modulus of up to 149 GPa and total elongations of up to 2.8%. The former represents a 27% improvement compared to commercially pure Titanium and the latter exceeds by 115% reported values for LPBF Ti-MMCs with similar Young’s modulus. It is enabled by the in-situ formation of defect-free TiC reinforcements combined with their globularisation through heat treatment.

Monte Carlo simulations were conducted to investigate the interaction between nucleation and the rates of chemical reduction in Au/Ag, Au/Pt and Au/Pd nanoparticles prepared in microemulsions using a one-pot method. The impact of nucleation on final nanostructure depends on the critical nucleus size value: at a high critical nucleus size, nucleation becomes the main factor in determining the final nanostructure, even with very large difference in reduction rates, as seen in the Au/Pd pair. However, when the critical nucleus size is small, the difference in reduction rates of the two metals becomes the key parameter determining the final nanostructure. Furthermore, the relevance of heteroatomic nucleation on the mechanism of nanoparticle formation depends on the difference between the reduction rates of the two metals. Smaller differences, such as in the Au/Ag or Au/Pt pairs, result in a greater impact of heteroatomic nucleation on the final nanostructure. In contrast, in the Au/Pd pair, heteroatomic nucleation becomes less important due to the low availability of Pd until late stages of synthesis. This study provides deeper insight into the complex mechanisms that govern reactions in microemulsions.

In metal additive manufacturing (AM), precise temperature field prediction is crucial for process monitoring, automation, control, and optimization. Traditional methods, primarily offline and data-driven, struggle with adapting to real-time changes and new process scenarios, which limits their applicability for effective AM process control. To address these challenges, this paper introduces the first physics-informed (PI) online learning framework specifically designed for temperature prediction in metal AM. Utilizing a physics-informed neural network (PINN), this framework integrates a neural network architecture with physics-informed inputs and loss functions. Pretrained on a known process to establish a baseline, the PINN transitions to an online learning phase, dynamically updating its weights in response to new, unseen data. This adaptation allows the model to continuously refine its predictions in real-time. By integrating physics-informed components, the PINN leverages prior knowledge about the manufacturing processes, enabling rapid adjustments to process parameters, geometries, deposition patterns, and materials. Empirical results confirm the robust performance of this PI online learning framework in accurately predicting temperature fields for unseen processes across various conditions. It notably surpasses traditional data-driven models, especially in critical areas like the Heat Affected Zone (HAZ) and melt pool. The PINN’s use of physical laws and prior knowledge not only provides a significant advantage over conventional models but also ensures more accurate predictions under diverse conditions. Furthermore, our analysis of key hyper-parameters—learning rate and batch size of the online learning phase—highlights their roles in optimizing the learning process and enhancing the framework’s overall effectiveness. This approach demonstrates significant potential to improve the online control and optimization of metal AM processes.

The fuel cell particularly the Proton Exchange Membrane Fuel Cell (PEMFC) is a new energy technology that plays a critical role in achieving market viability. The PEMFC has high power density, zero CO₂ emissions, and high conversion efficiency. However, with uniform distribution of fuel in PEMFC, we can improve the performance and reduce the cost. The PEMFC will be more efficient and effective in terms of renewable energy as a byproduct only water. Metal foam is used as an alternative for the channels in PEMFC. The model of PEMFC was established by using the ANSYS Fluent 3D Model. Then we proposed four configurations of PEMFC. The outcome demonstrates that Case IV provided outstanding performance if it is compared with the other three cases. In terms of power density, Case IV provided a high power density that is double that of Case I. The porosity of metal foam was investigated. The 0.6 porosity value is found as the optimal value. The uniform distribution of the fuel can be achieved at this value which leads to the outstanding current density.

This study investigates the potential benefits of integrating coarser particle size distributions (PSDs) of 45-106 µm into laser-based powder bed fusion of metals (PBF-LB/M), aiming to reduce costs while maintaining quality standards. Despite the considerable advantages of PBF-LB/M in producing intricate geometries with high precision, the high cost of metal powders remains a barrier to widespread adoption. By exploring the use of coarser PSDs, particularly from electron beam-based powder bed fusion of metals (PBF-EB/M), significant cost-saving opportunities are identified. Through comprehensive powder characterization, process analysis, and mechanical property evaluation, this study demonstrates that PBF-LB/M can effectively utilize coarser powders while achieving comparable mechanical properties to those produced with 20-53 µm PSD. Adaptations in process parameters enable the successful processing of coarser powders, maintaining high-relative density components with minimal porosity. Additionally, market surveys reveal substantial cost differentials between PBF-LB/M and PBF-EB/M powders, indicating 40 % cost reduction potential by integrating coarser PSDs into PBF-LB/M. Overall, this study provides valuable insights into the economic and technical feasibility of printing with coarser powders in PBF-LB/M, offering promising avenues for cost reduction without compromising quality, thus enhancing competitiveness and adoption of the technology in manufacturing applications.

Cancer cells show altered antioxidant defense systems, dysregulated redox signaling, and increased generation of reactive oxygen species (ROS). Targeting cancer cells through ROS-mediated mechanisms has emerged as a significant therapeutic strategy due to its implications in cancer progression, survival, and resistance. Extensive research has focused on selective generation of H2O2 in cancer cells for selective cancer cell killing by employing various strategies such as metal-based prodrugs, photodynamic therapy, enzyme-based systems, nano-particle mediated approaches, chemical modulators, and combination therapies. Many of these H2O2-amplifying approaches have demonstrated promising anticancer effects and selectivity in preclinical investigations. They selectively induce cytotoxicity in cancer cells while sparing normal cells, sensitize resistant cells, and modulate the tumor microenvironment. However, challenges remain in achieving selectivity, addressing tumor heterogeneity, ensuring efficient delivery, and managing safety and toxicity. To address those issues, H2O2-generating agents have been combined with other treatments leading to optimized combination therapies. This review focuses on various chemical agents/approaches that kill cancer cells via H2O2-mediated mechanisms. Different categories of compounds that selectively generate H2O2 in cancer cells are summarized, their underlying mechanisms and function are elucidated, preclinical and clinical studies as well as recent advancements are discussed, and their prospects as targeted therapeutic agents and their therapeutic utility in combination with other treatments are explored. By understanding the potential of these compounds, researchers can pave the way for the development of effective and personalized cancer treatments.

The recent green manufacturing demands have boosted the development of new biodegradable lubricants to replace petroleum-based lubricants. In this regard, water-based lubricants have been at the forefront of recent research for a wide range of industrial applications, including metalworking fluids (MWFs). In this work, we present an experimental investigation on the performance of novel green MWFs based on aqueous nopal mucilage solutions. For this, fully biodegradable solutions with different mucilage concentrations were evaluated in terms of rheological, tribological, thermal stability and turning (minimum quantity lubrication) performance, and compared to a commercial semisynthetic oil-based MWF (Cimstar 60). Mucilage solutions exhibited viscoelastic shear-thinning behavior, which was enhanced along with mucilage concentration. The solution with the highest mucilage content studied resulted in the lowest wear, friction and temperature in comparison to the other solutions and neat water in extreme pressure four-ball tests, and a similar level of lubricity as compared to the commercial MWF in cutting tests. This performance is associated to the enhanced viscosity and elasticity of the solution, as well as to the contents of lipids with fatty acids in the mucilage. Overall, the present results reveal the relevance of the viscoelastic behavior of the lubricant, elasticity in particular, in lubrication processes, and points to nopal mucilage as an effective green additive to produce innocuous MWFs.

Metal-organic frameworks (MOFs) represent the largest class of materials among the crystalline porous materials ever developed and have attracted attention as core materials for separation technology. Their extremely uniform pore aperture and nearly unlimited structural and chemical characteristics have attracted great interest and promise in applying MOFs to adsorptive and membrane–based separations. This paper reviews the recent research and development of MOF membranes for gas separation. Strategies for polycrystalline membranes and mixed matrix membranes are discussed, with a focus on separation systems involving hydrocarbon separation and CO2 capture. Challenges and opportunities for the industrial deployment of MOF membranes are also be discussed, providing guidance for the design and fabrication of future high-performance membranes. The contributions of the underlying mechanism to separation performances, and the adopted strategies and membrane processing technologies for breaking the selectivity/permeability trade–off are discussed.

NiO-based nanomaterials have attracted a great deal of interest in view of various applications, that have stimulated the implementation of various synthetic approaches to control their chemico-physical properties as a function of the desired end-use. In this regard, their bottom-up preparation starting from suitable precursors plays an important role, but a molecular level in-sight into their reactivity remains an open challenge. In this study, we focus on the fragmentation of Ni(II) diketonate-diamine adducts, of interest as precursors for Ni(II) oxide systems, by com-bined electrospray ionization mass spectrometry (ESI-MS) with multiple collisional experiments (ESI-MSn) and theoretical calculations. The joint analyses revealed common features in the frag-mentation pattern of the target compounds: i) in the first-fragmentation, all three complexes form analogous base-peak cations by losing a negatively charged diketonate; in these cations, Ni-O and Ni-N interactions are stronger and the Ni positive charge is lower than in the neutral complexes; ii) the tendency of ligand electronic charge to migrate towards Ni further increases in the subsequent fragmentation processes, leading to the formation – in all three cases – of a tetracoordinated Ni environment involving an interesting cation-π intramolecular interaction.

Various iron oxides have been proven to be promising anode materials for metal-ion batteries due to their natural abundance, high theoretical capacity, ease of preparation, and environmental friendliness. However, the synthesis of iron oxide-based composites requires complex approaches, especially when it comes to composites with intrinsically conductive polymers. In this work we propose a one-step microplasma synthesis of a polyaniline-coated urchin-like FeOOH nanoparticles (FeOOH/PANI) for application as anode in lithium-ion batteries. The material shows excellent electrochemical characteristics, providing initial capacity of ca. 1600 mA∙h∙g−1 at 0.05 A∙g−1 and 900 mA∙g−1 at 1.2 A∙g−1. Further cycling lead to capacity decrease to 150 mA∙h∙g−1 by the 60th cycles, followed by a recovery that maintained the capacity at 767 mA∙h∙g−1 after 2000 cycles at 1.2 A∙g−1 and restored full initial capacity of 1600 mA∙h∙g−1 at low current density of 0.05 A∙g−1. Electrochemical milling of the material caused such interesting behavior of the material, and we confirmed this phenomenon by a combination of physico-chemical and electrochemical techniques. The anodes also exhibit high performance in a full cell with NMC532. NMC532//FeOOH/PANI full cell provided energy density of 224 Wh∙kg−1 which is comparable to the reference cell with graphite anode (264 Wh∙kg−1).

Diamond-like carbon (DLC) films have a promising tribological application in green precision manufacturing, but their toughness represents a serious issue in the way of their application perspective. The film thickness is on the micrometer scale and makes conventional methods unsuitable for its toughness characterization. The absence of an accepted method for characterizing the DLC toughness has hindered the related research on the development of toughening methods and understanding the mechanism. This work intends to explore a relatively simple and acceptable characterization method to measure the film toughness. Moreover, toughening mechanisms of DLC films are proposed during the characterization to reveal the toughening mechanism. The toughness can be fully characterized through combining impact toughness and scratch toughness. The impact toughness can be obtained by observing the size of the indentation and the crack state around the indentation in the impact experiment. The scratch toughness could be assessed by combining the scratch morphology and Crack Propagation Resistance (CPRS). The improvement of film toughness should be carried out from two aspects: preventing microcrack initiation and suppressing crack propagation. Appropriate doping of non-carbide metal particles can effectively improve the toughness of the film, and there are seven main factors affecting the toughening of the film. Five toughening mechanisms of non-carbide metals from film preparation to test stage are revealed during the investigation of the change patterns.

This paper presents a comprehensive evaluation of metal foam employment within polymer electrolyte fuel cells (PEFCs) and compares it with conventional serpentine channels from both experiment viewpoints and computational fluid dynamics simulation. The experiments are designed to study the effects of material, area density, compression ratio, and final thickness of metal foam. Additionally, the influence of housing plate material and relative humidity (RH) is also tested for the first time. The results reveal that at RH=75-100%, the best distributor design is nickel foam with a compression ratio of 70%, a final thickness of 0.5mm, and SS-304 housing plate, which delivers 3110 mA cm^-2 as limiting current density that is scarce in the literature. The PEFC with this foam distributor shows a 10% improvement in maximum power density and 45% in limiting current density compared to the serpentine channel case. While at RH=30%, the same foam flow field with a final thickness of 1mm is a superior option. The experiments also indicate that maximum power density increases by 23% as the compression ratio rises from 0 to 70%, while reducing final thickness from 1 to 0.5 mm causes a 19% enhancement in cell performance. Simulation results reveal that metal foam is more successful in evenly reactant distribution so that the average oxygen mass fraction at the cathode catalyst layer is increased by 38% in the metal foam case compared to the serpentine channel.

: This article reports on polymer (PLLA, poly(L-lactic acid)) nanosheets incorporated with Fe-ion nanoparticles, aiming at using the latter nanoparticles as source to release Fe ions to facilitate burn wound healing when such nanosheets are applied on skin as biomedical tissue. Laser ablation in liquid phase was used to produce Fe-containing nanoparticles that after incorporation into PLLA nanosheets would release Fe ions when in immersed in water. Such nanoparticles prepared in chloroform are shown by XPS to be based on iron chloride and oxide phases. After incorporation into PLLA nanosheets, the ion –release test demonstrated that Fe ions could be released successfully into water at pH 7.4, which implies that such polymer nanosheets show promise for biomedical applications as potential patches for healing burn wounds. Incorporation with two different metal ions (Fe and Zn) is shown to be efficient and both types of ions were demonstrated to be released simultaneously and with comparable release rates.

Transition metal alloys have emerged as promising electrocatalysts due to their ability to modulate key parameters such as d-band electron filling, Fermi level energy, and interatomic spacing, thereby influencing their affinity towards reaction intermediates. However, the structural stability of alloy electrocatalysts during alkaline hydrogen evolution reaction (HER) remains a subject of debate. In this study, we systematically investigate the structural evolution and catalytic activity of the c-Co/Co3Mo electrocatalyst under alkaline HER conditions. We reveal that the instability of the Co3Mo alloy and H0.9MoO3 during alkaline HER leads to the destruction of the crystal structure, resulting in the formation of hexagonal cobalt (h-Co) from hexagonal Co(OH)2 as an intermediate species. Furthermore, we explore the re-adsorption and surface coordination of the Mo element, which enhances the catalytic activity for alkaline HER. This work provides valuable insights into the dynamic behavior of alloy-based electrocatalysts, shedding light on their structural stability and catalytic activity during electrochemical reduction processes

With metal oxide semiconductors being a promising candidate for accurate indoor air quality assessments, multiple drawbacks of the gas sensors prevent their widespread use. Examples include poor selectivity, instability over time, and sensor poisoning. Complex calibration methods and advanced operation modes can solve some of those drawbacks. However, this leads to long calibration times, which are unsuitable for mass production. In recent years, multiple attempts to solve calibration transfer have been made with the help of direct standardization, orthogonal signal correction, and many more methods. Besides those, a new promising approach is transfer learning from deep learning. This article will compare different calibration transfer methods, including direct standardization, piecewise direct standardization, transfer learning for deep learning models, and global model building. The machine learning methods to calibrate the initial models for calibration transfer are feature extraction, selection, and regression (established methods) and a custom convolutional neural network TCOCNN. It is shown that transfer learning can outperform the other calibration transfer methods regarding the root mean squared error, especially if the initial model is built with multiple sensors. It was possible to reduce the number of calibration samples by up to 99.3 % (from 10 days to approximately 2 hours) and still achieve an RMSE for acetone of around 18 ppb (15 ppb with extended individual calibration) if six different sensors were used for building the initial model. Furthermore, it was shown that the other calibration transfer methods (direct standardization and piecewise direct standardization) also work reasonably well for both machine learning approaches, primarily when multiple sensors are used for the initial model.

Fungal infection of grape berries (Vitis vinifera) by Botrytis cinerea frequently coincides with harvest, impacting both the yield and quality of grape and wine products. A rapid and non-destructive method for identifying B. cinerea infection in grapes at an early stage prior to harvest is critical to manage loss. In this study, zeolitic imidazolate framework-8 (ZIF-8) crystal was applied as an absorbent material for volatile extraction from B. cinerea-infected and healthy grapes in a vineyard followed by thermal desorption gas chromatography-mass spectrometry. The performance of ZIF-8 to absorb and trap targeted volatiles was evaluated with a standard solution of compounds and with a whole bunch of grapes enclosed in a glass container to maintain standard sampling conditions. Results from sampling methods were then correlated to B. cinerea infection in grapes as measured and determined by Genus specific antigen quantification. Trace levels of targeted compounds reported as markers of grape B. cinerea infection were successfully detected with in-field sampling. Peak area counts for volatiles 3-octanone, 1-octen-3-one, 3-octanol, and 1-octen-3-ol extracted using ZIF-8 were significantly higher than values achieved using Tenax®-TA from field testing and demonstrated good correlation with B. cinerea infection severities determined by B. cinerea antigen detection.

Novel TFN membranes were examined for the removal of heavy metals (Cu and Pb) from synthetic wastewater in forward osmosis (FO) experiments using MgCl2 as a draw solute. The TFN membranes were fabricated on top of a commercial PS35 ultrafiltration membrane by in-situ interfacial polymerization of piperazine (PIP) and 1,3,5-benzenetricarbonyl trichloride (TMC) containing different amounts of dispersed functionalized halloysite nanotubes (HNTs) nanoparticles. The HNTs nanoparticles were functionalized with the first generation of poly(amidoamine) (PAMAM) dendrimers. The TFN and the control TFC membranes showed rejections of Cu2+ and Pb2+, ranging from 94.5% to 98.1%. The presence of heavy metal in the feed solution enhanced the FO performance of all membranes. In particular, the reverse flux of MgCl2 decreased at least 2.5 times compared to the experiments with pure water as a feed. Simultaneously, the water flux also increased. The improved FO performance of the membranes in the presence of heavy metal ions is attributed to their adsorption by the membranes. The adsorption of heavy metals was confirmed by a decrease in the negativity of zeta potential and the results from inductively coupled plasma mass spectrometry (ICP-MS) of the membranes after the FO experiments.

During submerged laser peening using a pulsed laser, a bubble that behaves like cavitation is generated after laser ablation (LA). The bubble is referred to as laser cavitation (LC). The amplitude of the shock-wave in LA water is larger than that of LC; however, the impact passing through the target metal during LC is larger than that of LA. Thus, submerged laser peening is referred to as “laser cavitation peening”, as the peening method using the cavitation impact is known as “cavitation peening”. The impact induced by a hemispherical bubble is more aggressive than that of a spherical bubble with a microjet. Laser cavitation peening can improve the fatigue strength of metallic materials by producing work-hardening and the introduction of compressive residual stress. Three-dimensional additive manufactured metals (3D metals) such as titanium alloy are attractive materials for aviation components and medical implants; however, the fatigue strength of as-built components is nearly half that of bulk metals, and this is an obstacle for the applications of 3D metals. In the present study, published research papers were reviewed to identify the key factors of laser cavitation peening, with additional visualization of LC and data. Then, improvements in the fatigue strength of metallic materials, including 3D metals produced by laser cavitation peening, were summarized.

Metal-organic frameworks (MOFs), composed of metal nodes and inorganic linkers are promising for a wide range of applications due to their unique periodic frameworks that can be flexibly tuned. Understanding of the structure-activity relationships can facilitate the development and application of MOFs nanomaterials. Transmission electron microscopy (TEM) is a one-of-a-kind technique capable of characterizing MOFs microstructures at the atomic scale. Besides, in-situ TEM set-ups make it possible to direct visualize the microstructural evolution of MOFs in real time, which enables monitoring transitions of MOFs during growth as well as under working conditions. However, MOFs are so sensitive to the high-energy electron beam which makes TEM-based characterizing methods challenging. In this review, we first introduce the main damage mechanisms for MOFs under electron beam irradiation and two strategies to minimize the damages: low-dose TEM and cryo-TEM. Then, we discuss the techniques combined with the two strategies to analyze the MOFs’ microstructure, including three-dimensional electron diffraction, direct detection electron counting camera, and iDPC-STEM. Groundbreaking milestones and research advances with respect to static characterization of MOFs structures are highlighted. In-situ TEM studies are exemplary reviewed to provide insights into MOFs dynamics induced by various stimuli. Additionally, perspectives on promising techniques that may further facilitate the MOFs study using TEM are analyzed.

This research is aimed to develop the method for damage degree evaluation in metals and alloys during their deformation and destruction based on acoustic emission (AE) technique. Experimental studies were carried out on tensile specimens of high-strength steel with simultaneous registration of AE signals in tested material. It was shown that the time-dependent AE primary parameters, such as the AE signal maximum amplitudes and AE activity, do not have a clear relationship with the material damage degree. This fact makes it difficult to use standard methods for assessing the damage degree of acoustic signal sources, including defects. It was proposed to use the Kolmogorov-Smirnov criterion to differ the processes of metal plastic deformation and crack propagation during the rupture. The possibility of estimating the material damage degree by high-energy AE hits share was shown. Besides, a particular expression was obtained for evaluating the damage degree for the material under study.

Metallo-β-lactamases (MBLs) are a group of Zn(II)-dependent enzymes that pose a major threat to global health. They are linked to an increasing number of multi-drug resistant bacterial pathogens, but no clinically useful inhibitor is yet available. Since β-lactam antibiotics, which are inactivated by MBLs, constitute ~65% of all antibiotics used to treat infections, the search for clinically relevant MBL inhibitors is urgent. Here, derivatives of a 2-amino-1-benzyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile (1a) were synthesised and their inhibitory effects assessed against representatives of each of the three subgroups of MBLs (B1, B2, B3). Several compounds are potent inhibitors of each MBL tested, making them excellent candidates for the development of broad-spectrum drug leads. In particular, compound 5f is highly potent across the MBL subfamilies, with Ki values in the low µM range. Furthermore, this compound also dis-plays synergy in combination with antibiotics such as penicillin G, cefuroxime or meropenem. This molecule thus represents one of the most promising compounds developed yet to combat MBLs.

Surfaces of additively manufactured metal parts from powder-based processes typically show powder particle agglomerations and other features, resulting in high surface roughness. Proper characterization of those surfaces is necessary in order to assess part quality with respect to coatability, mechanical performance or corrosion resistance for use in aerospace, automotive, medical and more industrial applications. Optical surface texture measurement allows for collection of areal surface data, while the established contact stylus method only captures line profile data. When applying optical methods for surface topography measurements, proper data acquisition and post-processing in order to assess surface texture may be complex. A number of variables can be adjusted, such as different measurement settings, approaches to outlier removal, evaluated area size or form removal. This work shows the influence of selected z-range prior to measurement and the influence of choosing pre-defined outlier removal settings in MountainsMap 9.2 on selected ISO 25178-2:2022 parameters calculated from data obtained from confocal microscopy for as-built Ti6Al4V from laser powder bed fusion. The aim is to show the influence of variation in measurement and post-processing on calculated surface texture parameters and stress the importance of proper documentation in order to achieve reproducibility of data for quality management.

Laser Powder Directed Energy Deposition (LP-DED) is an Additive Manufacturing process in which a laser beam is used to generate a melt pool onto a substrate. The additional material, in form of powder material, is fed into the generated melt pool and a raised track is obtained. The LP-DED process is very powerful for different applications such as the repair operations and the production of functionally graded material, however the application is still limited and one of the main reasons is related to the lack of knowledge in the physics of the process mechanisms. The process is influenced by a huge number of parameters and three main mechanisms can be identi-fied. These mechanisms are the powder flow, the generation of the molten pool and the solidifica-tion process and for each of these mechanisms the process parameters have a different relevance. In this paper, a review of the main mechanisms and the relationship between the process parame-ters and the outcome of each step of the process is presented.

This article presents, for the first time, the efficacy and curing depth analysis of photo-thermal dual polymerization in metal (Fe) polymer composites for 3D printing of a 3-component (A/B/M) system based on the proposed mechanism of our group, in which the co initiators A and B are Irgacure-369, and charge-transfer complexes (CTC), respectively; and the monomer M is filled by Fe. Our formulas show the depth of curing (Zc) is an increasing function of the light intensity, but a decreasing function of the Fe and photoinitiator concentrations. Zc is enhanced by the additive [B] which produces extra thermal radical for polymerization under high temperature. The heat (or temperature) increase in the system has two components : (i) due to the light absorption of Fe filler, and (ii) heat released from the exothermic photopolymerization of the monomer. The heat is transported to the additive (or co-initiator) [B] to produce extra radical R' and enhance the monomer conversion function (CF). The Fe filler leads to temperature increase, but also limits the light penetration leading to lower CF and Zc, which could be overcome by the additive initiator [B] in thick polymers. Optimal Fe for maximal CF and Zc are explored theoretically.

The combination of organic matter, iron oxide, and clay minerals is of great significance for the adsorption of copper ions (Cu). The purpose of this study is to explore the characteristics of Cu adsorption and laws governing Cu complexation to organic–inorganic, organic–clay mineral, and iron-oxide–clay mineral complexes in the sediments in the estuary of plateau fault and sinking lake——Dianchi Lake. In this study, Cu adsorption tests were performed on the three complexes, in order to study the kinetic behavior of adsorption, Langmuir and Freundlich isotherm models were used. The samples before and after adsorption were characterized via scanning electron microscope (SEM), Fourier infrared spectroscopy (FTIR), and X-ray diffraction (XRD). Our results show that, the Freundlich isotherm models model was able to describe adsorbent behavior in comparison to the Langmuir models. During the Cu adsorption process, the iron-oxide–clay mineral complex is able to adsorb Cu, via coordination exchange, through the –OH contained therein. Organic-matter–clay mineral complexes bonded to the surfaces of clay minerals by replacing the hydroxyl groups with functional groups (carboxyl groups or phenolic hydroxyl groups) contained in the organic matter. Organic–inorganic composites then adsorbed Cu through the coordination exchange of –OH in the polar functional groups of alcohols, phenols, and carboxylic acids. The adsorption capacity of Cu in these three sediment complexes was observed to have the following order: organic–inorganic complex > organic-matter–clay mineral complex > iron-oxide–clay mineral complex. The semi-quantitative analysis results of Fourier Infrared Spectroscopy show that the organic matter (changes in the peak area of functional groups such as carboxyl groups) in the organic-inorganic composite material has an important effect on the amount of copper ions adsorbed by clay minerals.

Three-Dimensional mesoporous TiO2 scaffolds of anatase phase possess inherent eximious optical behavior that are beneficial in designing photoelectrodes for solar energy conversion applications. However, substantial efforts have been devoted in maximizing the UV and/or visible light absorption efficiency, and suppressing the annihilation of photogenerated charged species in pristine mesoporous TiO2 structure for improved solar illumination conversion efficiencies. This study provides the fundamental insights into Mxene functionalized mesoporous TiO2 as photoelectrode for the first time. This novel combination of Mxene functionalized TiO2 electrodes with and without TiCl4 treatments have been successfully optimized to intensify the process of photon absorption, charge segregation and photocurrent, resulting in superior photoelectrode performance. The photocurrent measurements of prepared photoelectrodes are significantly enhanced upon increased contents of Mxene due to improved absorption efficiency within the visible region as verified by UV–Vis absorption spectroscopy. Moreover, as evident through structural analysis, the anatase phase of TiO2 is well grown due to increased contents of Mxene and post-deposition heat treatments. Consequently, an appreciable coverage of well-developed grains on FTO surface observed in SEM images. Thereby, the newly fabricated conductive mesoporous TiO2 photoelectrodes are potential candidates for photoinduced energy conversion and storage purposes.

A critical challenge underpinning the adoption of Additive Manufacture (AM) as a technology is the postprocessing of manufactured components. For Selective Laser Sintering (SLS) this can involve the removal of powder from the interior of the component, often by vibrating the component to fluidise the powder to encourage drainage. In this paper we develop and validate a computational model of the flow of metal powder suitable for predicting powder removal from such AM components. The model is a continuum Eulerian multiphase model of the powder including models for the granular temperature; the effect of vibration can be included through appropriate wall boundaries for this granular temperature. We validate the individual sub-models appropriate for AM metal powders by comparison with in-house and literature experimental results, and then apply the full model to a more complex geometry typical of an AM Heat Exchanger. The model is shown to provide valuable and accurate results at a fraction of the computational cost of a particle-based model.

Monitoring volatile organic compounds (VOCs) places a crucial role in environmental pollutants control and indoor air quality. In this study, a metal-oxide (MOx) sensor detector (used in a commercially available monitor) was employed to delineate the composition of air containing three common VOCs (ethanol, acetone and hexane) under various concentrations. Experiments with a single component and double components were conducted to investigate how the solvents interact with the metal oxide sensor. The experimental results revealed that the affinity between VOC and sensor was in the following order: acetone > ethanol > n-hexane. A mathematical model was developed, based on the experimental findings and data analysis, to convert the output resistance value of the sensor into concentration values, which in turn can be used to calculate a VOC-based air quality index. Empirical equations were established based on inferences of vapor composition versus resistance trends, and on an approach of using original and diluted air samples to generate two sets of resistance data per sample. The calibration of numerous model parameters allowed matching simulated curves to measured data. As such, the predictive mathematical model enabled quantifying not only the total concentration of sensed VOCs, but also estimating the VOC composition. This first attempt to obtain semi-quantitative data from a single MOx sensor, despite remaining selectivity challenges, is aimed at expanding the capability of mobile air pollutants monitoring devices.

A new strategy to nanoengineer gold/fluorocarbon multilayer (ML) nanostructures is reported. We have investigated the morphological changes occuring at the metal-polymer interface in multilayer structures with varying volume fraction of gold (Au) and the kinetic growth aspect of the microscale properties of nano-sized Au in plasma polymer fluorocarbon (PPFC). Investigations were carried out at various temperatures and annealing time by means of grazing incidence small-angle and wide-angle X-ray scattering (GISAXS and GIWAXS). We have fabricated a series of multilayers with variying volume fraction (0.12, 0.27, 0.38) of Au and bilayer periodicity in ML structure. They show an interesting granular structure consisting of nearly spherical shaped nanoparticles within the polymer layer. The nanoparticle (NP) morphology changes due to the collective effects of NPs diffusion within ensembles in the in-plane vicinity and inter-layer with increasing temperature. The in-plane NPs size distinctly increases (from 1.9 to 4 nm) with increasing temperature. The NPs become more spherical thus reducing the surface energy. Linear growth of NPs with temperature and time shows diffusion-controled growth of NPs in the ML structure. The structural stability of the multilayer is controlled by the volume ratio of the metal in polymer. At room temperature UV-Vis shows a blueshift of the plasmon peak from 560 nm in ML Au/PTFE_1 to 437 nm in Au/PTFE_3. We have identified the fabrication and post-deposition annealing conditions to limit the Local Surface Plasmon resonance (LSPR) shift (from 〖∆λ〗_LSPR=180 nm (Au/PTFE_1) to 〖∆λ〗_LSPR=67 nm (Au/PTFE_3 ML)) and their optical response over a wide visible wavelength range. A variation in the dielectric constant of the polymer in precence of varying Au inclusion is found to be the main factor affecting the LSPR frequency. Our finding may provide insights in Nano engineering ML structure can be useful to systematically control the growth of NPs in polymer matrix.

The use of the LMD technology as a manufacturing and repairing technique in industrial sectors like the die and mold and aerospace is increasing within the last decades. Research carried out in the field of LMD process situates argon as the most usual inert gas, followed by nitrogen. Some leading companies have started to use helium and argon as carrier and shielding gas, respectively. There is therefore a pressing need to know how the use of different gases may affect the LMD process due to there is a lack of knowledge with regard to gas mixtures. The aim of the present work is to evaluate the influence of a mixture of argon and helium on the LMD process by analyzing single tracks of deposited material. For this purpose, special attention is paid to the melt pool temperature, as well as to the characterization of the deposited clads. The increment of helium concentration in the gases of the LMD processes based on argon will have three effects. The first one is a slightly reduction of the height of the clads. Second, an increase of the temperature of the melt pool. Last, smaller wet angles are obtained for higher helium concentrations.

Metal hydrides are one of the types of functional materials that allow safe and compact storage of a large amount of hydrogen, which is increasingly used today as an alternate fuel or energy source. The possibility of obtaining the initial energy necessary for the production of hydrogen by electrolysis process from renewable energy sources, such as solar panels and wind generators, makes hydrogen energetic quite attractive and rapidly developing industry sector. Solid form of hydrogen storage with the possibility of reversible sorption, gives opportunity for creation autonomous energy storage systems. La-Ni based alloys allow hydrogen storing at ambient temperatures and pressure not higher than 15 bar, which makes the application of these alloys quite practical, interesting and prospects for analysis and modifications on the ways of stored hydrogen capacity increasing, alloys price reducing and application for renewable energy storage.

One of the relevant goals in forging technologies is simplifying the existing process and developing new processes that can retain the original or very close to the original dimensions and billet shape after the end of the deformation cycle. This study attempts to develop a forging equipment design that provides alternating cyclic loading; the alternate cyclic forging (ACF) method is proposed. To preliminary evaluate the ACF and study the plastic deformation behavior, numerical simulation via finite element modeling (FEM) was conducted using DEFORM-3D. The main attention was paid to the metal flow characteristics, effective strain and stress distribution, and the forging load. The ACF results in non-uniform metal flow with the formation of diagonal and vortex flows were demonstrated. Maximum effective strains and stresses zones are localized at two points of the billet contact with the surface of the tooling container and at two points of the interface between the punches. It was also assumed that reducing the contact area between the punch and the billet using separate semi-cylindrical punches can reduce the forging load. Preliminary finite element analysis (FEA) results of the proposed process after four successive steps of the deformation cycle confirmed the feasibility of its general implementation.

Lithium-metal batteries offer high energy density, but are challenged by dendrite growth, which can lead to short circuits and battery failure. Various models with varying degrees of accuracy and computational cost have been developed to understand and predict dendrite growth. In this study, a simple simulation model to predict macroscale dendrite growth on lithium metal electrodes is presented. The model uses a 3D single-particle diffusion-limited aggregation (DLA) algorithm, biased by the electric field, to simulate dendrite growth. The model was validated using 3D MRI of dendrite growth in a lithium symmetric cell. It was used to simulate deposition between consecutive measured dendrite structures. The model also introduces an important parameter, namely the biasing factor c, which determines the balance between diffusion and electric field effects. This parameter was calibrated using the overlap and displacement of deposition sites metrics, achieving optimal results at c = 0.7. The model predictions were in good agreement with experimental data confirmed by fractal dimension analysis. This model provides a useful tool for predicting and studying dendrite formation in lithium and other metal batteries.

Objective: This study aimed to assess the impact of artificial intelligence (AI)-driven noise reduction algorithms on metal artifacts and image quality parameters in cone-beam computed tomography (CBCT) images of the oral cavity. Materials and Methods: This retrospective study included 70 patients, 61 of whom were analyzed after excluding those with severe motion artifacts. CBCT scans, performed using a Hyperion X9 PRO 13 × 10 CBCT machine, included images with dental implants, amalgam fillings, orthodontic appliances, root canal fillings, and crowns. Images were processed with ClariCT. AI deep learning model (DLM) for noise reduction. Objective image quality was assessed using metrics such as the differentiation between voxel values (ΔVVs), the artifact index (AIx), and the contrast-to-noise ratio (CNR). Subjective assessments were performed by two experienced readers, who rated overall image quality and artifact intensity on predefined scales. Results: Compared with native images, DLM reconstructions significantly reduced the AIx and increased the CNR (p<0.001), indicating improved image clarity and artifact reduction. Subjective assessments also favored DLM images, with higher ratings for overall image quality and lower artifact intensity (p<0.001). However, the ΔVV values were similar between the native and DLM images, indicating that while the DLM reduced noise, it maintained the overall density distribution. Orthodontic appliances produced the most pronounced artifacts, while implants generated the least. Conclusion: AI-based noise reduction using ClariCT. AI significantly enhances CBCT image quality by reducing noise and metal artifacts, thereby improving diagnostic accuracy and treatment planning. Further research with larger, multicenter cohorts is recommended to validate these findings.

With the ever-growing emphasis on global decarbonization and rapid increases in the power density of electronics equipment in recent years, new methods and lightweight materials have been developed to manage heat load as well as interfacial stresses associated with Coefficient of Thermal Expansion (CTE) mismatch between components. The Al-Si system provides an attractive combination of CTE performance and high thermal conductivity whilst being a very lightweight option. Such materials are of interest to industries where thermal management is a key design criterion, such as aerospace, automotive, consumer electronics, defense, EV and space. This paper will describe the development and manufacture of a family of high-performance hypereutectic Al-Si alloys (AyontEX™) by a powder metallurgy method. These alloys are of particular interest for structural heat sink applications that require high reliability under thermal cycling (CTE of 17μm/(m·°C)) as well as reflective optics and instrument assemblies that require good thermal and mechanical stability (CTE of 13μm/(m·°C)). Critical performance relationships are presented, coupled with the microstructure, physical and mechanical properties of these Al-Si alloys.

Transition metal complexes have historically played a pivotal role in creating vibrant pigments utilized across artistic mediums such as ceramics, paintings, and glass mosaics. Despite their extensive historical use, our understanding of the mechanisms governing transition metal complex behavior has predominantly emerged in recent times, leaving numerous aspects of this process ripe for exploration. These complexes exhibit striking color variations under diverse conditions when employed in pigment formulations. This review utilizes a bottom-up scientific approach, spanning from microscopic to macroscopic scales, to unravel the molecular origins of the colors generated by transition metal complexes in pigments and ceramic glazes. Advanced spectroscopy techniques and computational chemistry play pivotal roles in this endeavor, highlighting the significance of understanding and utilizing analytical data effectively, with careful consideration of each technique's specific application. Furthermore, the review investigates the influence of processing conditions on color variations, providing valuable insights for artists and manufacturers aiming to enhance the precision and quality of their creations while mitigating environmental impact.

Dissimilar welds between ferritic and austenitic steels represent a good solution for exploiting the best performance of stainless steels at high and low temperatures and in aggressive environments, while minimizing costs. Therefore, they are widely used in nuclear and petrochemical plants, however, due to the different properties of the steels involved, the welding process can be challenging. Fusion welding can be specifically addressed to connect low-carbon, or low-alloy steels, with high-alloy steels, which have similar melting point. Welding of thick plates can be performed with electric arc in multiple passes or in a single pass by means of a laser beam equipment. Since microstructure and consequently mechanical properties of the weld are closely related to composition, the choice of the filler metal and processing parameters, which in turn affects the dilution rate, plays a fundamental role. Numerous technical solutions were proposed for welding dissimilar steels and much research was developed on the weldment metallurgy; therefore, this article is aimed at a review of the most recent scientific literature on the issues relating to the fusion welding of ferritic / austenitic steels. Two specific sections are dedicated respectively to electric arc and laser beam welding; finally, metallurgical issues, related to dilution and thermal field are debated in the discussion section.

Memristors are state-of-the-art, nano-sized, two-terminal, passive electronic elements with very good switching and memory characteristics. Owing to their very low power usage and a good compatibility to the existing CMOS ultra-high-density integrated circuits and chips, they are po-tentially applicable in artificial and spiking neural networks, memory arrays, and many other de-vices and circuits for artificial intelligence. In this paper, a complete electronic realization of ana-log circuit model of modified neural net with memristor-based synapses and transfer function with memristors and MOS transistors in LTSPICE is offered. Each synaptic weight is realized by only one memristor, providing enormously reduced circuit complexity. The summing and scaling implementation is founded on op-amps and memristors. The logarithmic-sigmoidal activation function is based on a simple scheme with MOS transistors and memristors. The functioning of the suggested memristor-based neural network for pulse input signals is evaluated both analytically in MATLAB-SIMULINK and in LTSPICE environment. The obtained results are compared one to another and are successfully verified. The realized memristor-based neural network is an im-portant step towards the forthcoming design of complex memristor-based neural networks for ar-tificial intelligence, for implementation in very high-density integrated circuits and chips.

Contrast agents developed for X-ray computed tomography (CT) offer extremely valuable tools and techniques in diagnostics via contrast enhancements. Heavy metal-based nanoparticles (NPs) can provide high contrast in CT images. These result from a high density of heavy metal atoms with high X-ray attenuation coefficients that exceed that of iodine (I), which is currently used in hydrophilic organic CT contrast agents. Nontoxicity and colloidal stability are vital characteristics in designing heavy metal-based NPs as CT contrast agents. In addition, the particle size must be small for in vivo renal excretion. In vitro phantom imaging studies can provide X-ray attenuation efficiency, which is a critical parameter for CT contrast agents, and the imaging performance of CT contrast agents can be demonstrated via in vivo experiments. This review focuses on in vitro and in vivo studies of various heavy metal-based NPs (metal: Au, Pt, Pd, Ag, Ce, Gd, Dy, Ho, Yb, Ta, W, and Bi) and provides an outlook on their use as high-performance CT contrast agents.

The response of plasmonic metal particles to an electromagnetic wave undergoes significant features at the nanoscale level. Different properties of the internal composition of a metal, such as its ionic background and the free electron gas, begin to manifest more prominently. As the dimensions of the nanostructures decrease, the classical local theory gradually becomes inadequate. Therefore, Maxwellʹs equations need to be supplemented with a relationship determining the dynamics of current density which is the essence of nonlocal plasmonic models. In this field of physics, the standard (linearized) hydrodynamic model (HDM) has been widely adopted with great success, serving as the basis for a variety of simulation methods. However, ongoing efforts are also being made to expand and refine it. Recently, the GNOR (general nonlocal optical response) modification of the HDM has been used, with the intention of incorporating the influence of electron gas diffusion. Clearly, from the classical description of fluid dynamics, a close relationship between viscosive damping and diffusion arises. This offers a relevant motivation for introducing the GNOR modification in an alternative manner. The standard HDM and its existing GNOR modification also do not include the influence of interband electron transitions in the conduction band and other phenomena that are part of many refining modifications of the Drude‐Lorentz and other models of metal permittivity. In this article, we present a modified version of GNOR‐HDM that incorporates the viscosive damping of the electron gas and a generalized Drude‐Lorentz term. In the selected simulations, we also introduce Landau damping which corrects the magnitude of the standard damping constant of the electron gas based on the size of the nanoparticle. We have chosen a spherical particle as a suitable object for testing and comparing HD models and their modifications because it allows finding precise analytical solutions for the interaction and, simultaneously, it is a relatively easily fabricable nanostructure in practice. Our contribution also includes our own analytical method for solving the HDM interaction of a plane wave with a spherical particle. This method forms the core of calculations of the characteristic quantities, such as the extinction cross‐sections and the corresponding components of electric fields and current densities.

This short review is aimed at giving an overview of catalytic carbonylative double cyclization reactions, which are processes in which suitable organic substrates and carbon monoxide are sequentially activated by a promoting catalyst to afford the formation of two new cycles with concomitant incorporation of carbon monoxide as a carbonyl function into the final product. Paradigmatic examples of this powerful synthetic methodology, which allows the one-step synthesis of complex molecular architectures from simple building blocks using the simplest and readily available C-1 unit (CO) are illustrated and discussed. The review is divided into five sections: 1) Introduction; 2) Functionalized Olefinic Substrates; 3) Functionalized Acetylenic Substrates; 4) Functionalized Halides; 5) Conclusions and Future Perspectives.

The paradigm of drug delivery via nano- and microcarriers is one of the leading ideas that enable overcoming the limitations of traditional chemotherapy. The trend toward more complex drug carriers capable of multifunctionality is observed in the literature. To date, prospects of stimuli-responsive systems to control the cargo release in the lesion nidus are widely accepted. Both endogenous and exogenous stimuli are employed for this purpose, however, endogenous pH is one of the most common triggers. Unfortunately, scientists face difficulties in the implementation of this idea since a range of biological barriers, drug bioavailability issues, and challenges in the synthesis of carriers with required properties have arisen. Here, we discuss fundamental strategies of pH-responsive drug delivery as well as limits in its application and reveal the main problems, weak sides, and reasons for poor clinical results. Also, we have made an attempt to formulate the profiles of "ideal" drug carrier in the frame of different strategies and considered recently published studies through the lens of these profiles. This approach enables the identification of current trends and promising vectors in the development of pH-responsive drug delivery systems, as well as challenges to be resolved in the next generation of carriers.

Plazomicin is a recently U.S. Food and Drug Administration (FDA)-approved semisynthetic aminoglycoside. Its structure consists of a sisomicin scaffold modified by adding a 2(S)-hydroxy aminobutyryl group at the N1 position and a hydroxyethyl substituent at the 6′ position. These substitutions produced a molecule refractory to most aminoglycoside-modifying enzymes. The main enzyme within this group that recognizes plazomicin as substrate is the aminoglycoside 2′-N-acetyltransferase type Ia [AAC(2′)-Ia], which reduces the antibiotic’s potency. Designing formulations that combine an antimicrobial with an inhibitor of resistance is a recognized strategy to extend the useful life of existing antibiotics. We have recently found that several metal ions inhibit acetylation of numerous aminoglycosides catalyzed by the aminoglycoside 6′-N-acetyltransferase type Ib [AAC(6′)-Ib]. In particular, Ag1+, which also enhances the effect of aminoglycosides by other mechanisms, is very effective in interfering with AAC(6′)-Ib-mediated resistance to amikacin. Here we report that silver acetate is a potent inhibitor of AAC(2′)-Ia-mediated acetylation of plazomicin in vitro, and it reduces resistance levels of Escherichia coli carrying aac(2′)-Ia. The resistance reversion assays produced equivalent results when the structural gene was expressed under the control of the natural or the blaTEM-1 promoters. The antibiotic effect of plazomicin in combination with silver was bactericidal, and the mix did not show significant toxicity to human embryonic kidney 293 (HEK293) cells.

Residual stresses in fiber metal laminates (FML) inevitably develop during the manufacturing process. The main contributor to these stresses is the difference in the coefficients of thermal expansion (CTE) between fibers and metal in combination with high process temperatures. To quantify these stresses, the use of specimens with an asymmetric layup is an easily adaptable method. The curvature that develops after the manufacturing of flat laminates with an asymmetrical layer stack is a measure of the level of residual stresses evolving during cure. However, the accuracy of the curvature evaluation is highly dependent on specimen design and other influencing parameters. In this work a large set of FML specimens is investigated to identify relevant influencing parameters and derive conclusions about specimen design and evaluation techniques. For certain layups and process parameters, there is a good correlation between the curvature and the stress-free temperature, which is further covered by analytical solutions for bimetals. This correlation is the basis to transfer curvature into a stress-free temperature that can consequently be used for the quantification of residual stress levels in more complex FMLs. The transfer is validated by in-situ strain measurements during cure using a strain gage technique. Based on the results, the application of asymmetric specimens for residual stress characterization in more complex laminates is presented in the form of a workflow.

Structural health monitoring of lightweight constructions made of composite materials can be performed using guided ultrasonic waves. If modern fiber metal laminates are used, this requires integrated sensors that can record the inner displacement oscillations caused by the propagating guided ultrasonic waves. Therefore, we have developed a robust MEMS vibrometer that can be integrated with structural and functional compliance. This vibrometer is directly sensitive to the high-frequency displacements from structure-borne ultrasound when excited between its first and second natural frequency. The vibrometer is mostly realized by processes earlier developed for a pressure sensor but with additional femtosecond laser ablation and wafer bonding. The piezoresistive transducer made from silicon is encapsulated between top and bottom glass lids. The natural frequencies are experimentally determined using an optical micro vibrometer setup. The vibrometer functionality and usability for structural health monitoring are demonstrated on a customized test rig by recording application-relevant guided ultrasonic wave packages with a central frequency of 100 kHz at a distance of 200 mm from the exciting ultrasound transducer.

Radially polymerized dendritic compounds are nowadays an established polymer category next to their linear, branched and cross-linked counterparts. Their uncommon tree-like architecture is characterized by adjustable internal cavities and external groups. They are therefore exceptional absorbents and this attainment of high concentrations into their interior renders them ideal reac-tion media. In this framework they are applied in many environmentally benign implementa-tions. One of the most important among them is water purification though pollutant decomposi-tion. Simple and composite catalysts and photo-catalysts containing dendritic polymers and ap-plied in water remediation will be discussed jointly with some unconventional solutions and fu-ture prospects.

For the better part of a century researchers across disciplines have sought to explain the crystallography of the elemental transition metals: hexagonal close packed, body centered cubic, and face centered cubic in a form similar to that used to rationalize the structure of organic molecules and inorganic complexes. Pauling himself tried with limited success to address the origins of transition metal stability. These early investigators were handicapped, however, by incomplete knowledge regarding the structure of metallic charge density. Here we exploit modern approaches to charge analysis to first comprehensively describe transition metal charge density. Then, we use topological partitioning and quantum mechanically rigorous treatments of kinetic energy to account for the structure of the density as arising from the interactions between metallic tetrahedra. We argue that the crystallography of the early transition metals results from charge transfer from the so called “octahedral” to “tetrahedral holes” while the face centered cubic structure of the late transition metals is a consequence of antibonding interactions that increase octahedral hole kinetic energy.

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

The recovery of precious metals is a project with both economic and environmental significance. In this paper, it presents how to use bacterial mineralization to selectively recover gold from multi-ionic aqueous systems. The Bacillus licheniformis FZUL-63, separated from a landscape lake in FuZhou University, was shown to selectively mineralize and precipitate gold from coexisting ions in aqueous solution. The removal of Au(III) was almost happened in first hour, and FTIR data show that the amino, carboxyl and phosphate groups on the surface of the bacteria are related to the adsorption of gold ions. XPS results implied that Au(III) ions are reduced to monovalent, and then the Au(I) was adsorbed on the bacterial surface at the beginning stage(first hour). XRD results showed the gold biomineralization began about 10 hours after the interaction between Au(III) ions and bacteria. The Au(III) mineralization has been rarely influenced by other co-existing metal ions. TEM analysis shows the gold nanoparticles are polyhedral structure with a particle size of ~20 nm. The Bacillus licheniformis FZUL-63 could selectively mineralize and recover 478 mg/g(dry biomass) gold from aqua regia-based metal wastewater through four cycles. It could be of great potential in the practical application.

We summarize structural instabilities exhibited by the one dimensional (1D) (arene)2X family of organic conductors in relation with their electronic and magnetic properties. With a charge transfer of one electron to each anion X these salts exhibit a quarter-filled (hole) conduction band located on the donor stacks. Compounds built with donors such as fluorenthene and perylene derivatives and anions X such PF6 or AsF6 exhibit a high temperature (TP~170K) conventional Peierls transition which is announced by a sizeable regime of 1D 2kF charge density wave fluctuations (kF is the Fermi wave vector of the 1D electron gas located on Per stacks). Surprisingly, and probably because of the presence of a multi-sheet warped Fermi surface, the Peierls transition is considerably reduced in the perylene series α-(Per)2[M(mnt)2] where X is the dithiolate molecule with M=Au, Cu, Co and Fe. A special attention is devoted in this paper to physical properties of α-(Per)2[M(mnt)2] salts which with M=Pt, Pd and Ni incorporate segregated S=1/2 1D antiferromagnetic (AF) dithiolate stacks with 1D metallic Per stacks. We analyse conjointly the structural and magnetic properties of these salts in relation with the 1D spin-Peierls (SP) instability located on the dithiolate stacks. We show that the SP instability of the Pd and Ni derivatives occurs in the classical (adiabatic limit) while the SP instability of the Pt derivative occurs in the quantum (anti-adiabatic limit). Furthermore we show that in the Pd and Ni derivatives frustrated 1st neighbour direct and 2nd neighbour indirect (through a fine tuning with the mediated 2kF RKKY coupling interaction on Per stacks) AF interactions add their contribution to the SP instability to open a singlet-triplet gap. Our analysis of the data show unambiguously that magnetic α-(Per)2[M(mnt)2] salts are a typical realization of the physics predicted for two chain 1D Kondo lattices.

This study investigates the potential of reusing punched steel waste, a significant component of solid inorganic waste, in composite materials for construction applications. Driven by the growing global demand for raw materials (projected to quadruple by 2050) and the need for sustainable waste management practices, this research explores the creation of a composite material (PPLK) incorporating punched steel tape (LPM-4 grade) embedded in a polypropylene matrix. Experimental testing of PPLK specimens (310 x 90 x 6.30 mm) and finite element analysis (FEA) were employed to evaluate the mechanical properties and stress concentration coefficient. Results show that the PPLK composite exhibits a load-carrying capacity of 21.64 kN, exceeding the sum of its individual components by 11.37%, demonstrating a synergistic effect between the steel (average tensile strength 220.65 MPa) and polypropylene. FEA further revealed that increasing the matrix's modulus of elasticity to 42 MPa significantly reduces the stress concentration coefficient in the steel component, resulting in a 24% enhancement of the elastic force. The findings suggest a viable path toward sustainable waste management and improved material utilisation in the construction industry.

(1) Predictive assessment of the performance characteristics of metal-polymer (MP) plain bearings at the design stage is necessary and important for engineering practice. They include bearing capacity, linear wear of the bushing, and bearing life. However, no method for their calculation has been developed. (2) The authors have created a generalized analytical method for the mathematical modeling of MP sliding bearings as a classical science-based method of contact mechanics of conformal cylindrical bodies with consideration of polymer bushing wear. (3) Contact problem of the theory of elasticity takes into account the significant difference in the elasticity characteristics of polymeric materials from those of steel: Young's modulus is 60...250 times smaller, Poisson's ratio is 1.27...1.37 times larger. The method has been used to study MP bearings with several common groups of tribopolymers used for bushings: PA, PTFE, PET, and PEEK. The maximum contact pressures and durability of dry friction bearings have been calculated taking into account the load, radial clearance, bushing thickness, elasticity characteristics of tribopolymers, their wear resistance, sliding friction coefficient, and type of tribopolymer materials. (4) The paper establishes quantitative and qualitative regularities of the influence of these factors on the maximum contact pressures and bearing durability.

This article reports the preparation of a novel functionalized magnetic nanoadsorbent through an addition reaction between Fe3O4 nanoparticles coated with allyl silica gel and 4-pyridinyl ethylene, detailed characterization of Fe3O4@SiO2-yl-VP was conducted. Among them, in the infrared spectrum, we can easily see that the absorption peak of C=C stretching vibration at 1660 cm-1 in the raw material disappears after the addition reaction, indicating the successful grafting of polymer on the surface of silica gel. The appearance of N element in the EDS spectrum also proves the successful completion of the addition reaction and the successful synthesis of Fe3O4@SiO2-yl-VP. At pH=5 and pH=7, it only takes half an hour for Fe3O4@SiO2-yl-VP to achieve maximum adsorption capacities of 85.06 and 73.78 mg/g for Hg (II) and Pb (II), respectively. The adsorption process conforms to the Langmuir model and pesudo first and pesudo second order kinetic models, and can be reused 11 times, demonstrating excellent reusability.

Efforts to achieve carbon neutrality, which aims to reduce the net carbon emissions to zero by decreasing carbon emissions from human activities and increasing carbon absorption, are actively underway. Additionally, the search for clean energy alternatives to fossil fuels has become a global research trend. This paper presents research on metal-air batteries, focusing on the development of energy supply technologies that do not generate carbon emissions during power generation and require less space for power generation compared to existing renewable energy sources. The proposed Mg-Air Battery (MAB) in this study uses magnesium as the metal anode and theoretically offers a maximum open-circuit voltage of 3.1V and a high energy density of 6.8kWh/kg. While previous research has primarily focused on designing small-capacity cells and maximizing the performance of metal anodes, this study differentiates itself by designing a large-capacity MAB cell and optimizing its electrical performance. For the large-capacity cell design, the weight, shape, and size of the anode were designed based on MAB performance factors, and research was conducted on manufacturing methods to optimize the performance of the air cathode. Furthermore, to enhance usability and extend the lifespan of the MAB cell, it was designed to allow electrolyte circulation, and the electrolyte circulation performance was verified through simulations of fluid flow within the cell. Based on the study of the power performance of the newly designed large-capacity MAB cell, the feasibility of con-structing a kW-class system using multiple Mg-Air battery cell stacks was confirmed.

Landmines, with more than 600 varieties and an estimated 110 million scattered across various regions worldwide, pose a significant threat globally. Heavily found landmines like TM-62M, MON-100, PDM-1, etc., in the recent Russia-Ukraine war, confirm the continued incorporation of metals in munitions. Traditional handheld metal detectors are still state-of-the-art for technical sub-surface demining procedures but are slow, unsafe, and expensive. Drone-based metal detection techniques can provide promising solutions for the rapid and effective detection of landmines; however, their reliability and accuracy remain a concern, as a single miss can cost a life. In our research, we present the results of a comprehensive comparative analysis of three distinct metal detectors: the EM61 Lite, a highly sensitive air-borne metal detector specially designed for UXO detection; the CTX 3030, a traditional handheld all-metal detector; and the ML 3S, a traditional handheld ferrous-only detector. We tested these detectors in a test field containing various inert landmines similar to those currently found in landmine-affected countries, including Ukraine, the US, Russia, and Afghanistan. Our findings highlight the possible challenges and limitations of employing current airborne systems in practical scenarios. Our results also showcase the need for advanced image processing techniques for analyzing airborne metal detector data.

The binary metal oxide mesoporous interfacial layers (bi-MO meso IF layer) templated by a graft copolymer is synthesized between a fluorine-doped tin oxide (FTO) substrate and nanocrystalline TiO2 (nc-TiO2). Amphiphilic graft copolymers, Poly(epichlorohydrin)-graft-poly(styrene), PECH-g-PS, was used as a structure-directing agent, and the fabricated bi-MO meso IF layer exhibits good interconnectivity and high porosity. Even if the amount of ZnO in bi-MO meso IF layer increased, it was confirmed that the morphology and porosity of bi-MO meso IF layer was well maintained. In addtion, bi-MO meso IF layer coated onto FTO substrates show higher transmittance compared with a pristine FTO substrate and dense-TiO2/FTO, due to the reduced surface roughness of FTO. The overall conversion efficiency (η) of a solid state photovoltaic cells, dye-sensitized solar cell (DSSC) fabricated with nc-TiO2 layer/bi-MO meso IF layer TZ1 used as a photoanode reaches 5.0% at 100 mW cm-2, which is higher than that of DSSC with a nc-TiO2 layer/dense-TiO2 layer (4.2%), resulting from enhanced light harvesting, good interconnectivity, and reduced interfacial resistance. The cell efficiency of the device did not change after 15 days, indicating that the bi-MO meso IF layer with solid-state electrolyte has improved electrode/electrolyte interface and electrochemical stability. Additionally, commercial scattering layer/nc-TiO2 layer/bi-MO meso IF layer TZ1 photoanode fabricated solid state photovoltaic cells (DSSC) achieved an overall conversion efficiency (η) of 6.4% at 100 mW cm-2.

In the present work, we report on a 3D MOF of {[Pb5(3-OH)(3-NO3)3(6-pmdc)3·H2O}n formula (pmdc = pyrimidine-4,6-dicarboxylate) synthesized by an oven-heated solvent-free procedure. The large connectivity afforded by the three ligands in their coordination to lead(II) ions grows cubic building units characterized by a central Pb atom with an unusual coordination index of 12 and six pmdc ligands occupying the faces. These cubic units are linked one another giving rise to a quite condensed structure that represents an unprecedented topology showing the (4.62)6(43)2(45.610)3(45.68.82)6(46.69)6(612.83) point symbol. The crystalline material has been characterized by routine physico-chemical techniques to confirm its purity and its thermal behaviour has been also studied by thermogravimetric and thermodiffractometric analyses. The solid presents greenish blue photoluminescent emission based on pmdc ligands, as revealed time-dependent density-functional theory (TD-DFT) calculations, by that is substantially more intense than in free H2pmdc ligand according to its improved quantum yield. The emissive capacity of the material is further analysed according to decreasing temperature of the polycrystalline sample, finding that sizeable long-lasting phosphorescence is present.

The paper presents the development of cheap and selective Paper-based Analytical Devices (PADs) for Pd(II) determination. The PADs were obtained with an azoic ligand, (2-(tetrazolylazo)-1,8 dihydroxy naphthalene-3,6,-disulphonic acid), termed TazoC, and filter paper as the substrate. The orange TazoC-PADs interact quickly with Pd(II) solutions by forming a complex purple-blue-colored already at a very acidic pH (lower than 2). The dye complexes no other metal ions at such an acidic media, making TazoC-PADs highly selective to Pd(II) detection. Besides, at higher pH values, other cations, for example, Cu(II) and Ni(II), can interact with TazoC through the formation of stable and pink-magenta-colored complexes; however, it is possible to quantify Pd(II) also in the presence of other cations using a multivariate approach. Indeed, by applying Partial Least Square regression (PLS), the spectra of the TazoC-PADs were related to the Pd(II) concentrations both when present alone in solution and also in the presence of Cu(II) and Ni(II). The PLS models correctly predicted Pd(II) concentrations in unknown samples and tap water spiked with the metal cation.

The flavin derivatives 10‐methyl‐isoalloxazine (MIA) and 6-fluoro-10-methyl-isoalloxazine (6F-MIA) were encapsulated in two alternative metal-organic frameworks, (MOFs) MIL53(Al) and MOF5, using a post-synthetic, diffusion-based incorporation into microcrystalline MIL-53 powders and an in-situ approach during the MOF-5 synthesis. The flavin@MOF composites were analyzed by powder X-ray diffractometry (PXRD), N2-sorption studies and time-resolved fluorescence spectroscopy and microscopy. The maximum amount of flavin dye incorporation is 3.9 wt% for MIA@MIL-53(Al) and 1.5 wt% for 6F-MIA@MIL-53(Al), 0.85 wt% for MIA@MOF-5 and 27.6 wt% for 6F-MIA@MOF-5. The emission wavelengths of all flavin@MOF composites mostly correspond to the wavelengths of the flavins in solution. Time-resolved spectroscopy showed that the fluorescence lifetime of flavin@MOF of 2-4.7 ns also corresponds to those in solution but is significantly prolonged compared to the solid flavin dyes with less than 1 ns, thereby confirming the concept of "solid solutions" for dye@MOF composites. The fluorescence quantum yield (ΦF) of the flavin@MOF composites is about half of the solution but is significantly higher compared to the solid flavin dyes. Both the fluorescence lifetime and quantum yield of flavin@MOF decrease with the flavin loading in MIL-53. Theoretical calculations using plane-wave and QM/MM methods are in good correspondence with the experimental results and explain the electronic structures as well as the photoluminescence/photophysical properties of crystalline MIA and the flavin@MOF composites. In the solids flavins π-stacking interactions of the molecules lead to a charge transfer state with low oscillator strength resulting in aggregation-caused quenching (ACQ) with low lifetimes and quantum yields. In the MOF pores the flavin molecules are separated and the computed MIA@MOF structures do not find π-stacking interactions to the pore walls but only weak van-der-Waals contacts which reasons the enhanced fluorescence lifetime and quantum yield of the flavins in the composites compared to their neat solid state. The flexible MOF MIL-53(Al) was optimized essentially to the experimental large-pore form in the guest-free state with QuantumEspresso (QE) and with MIA molecules in the pores the structure contracted to close to the experimental narrow-pore form which was also confirmed by PXRD. In summary, the incorporation of flavins in MOFs yields solid-state materials with enhanced rigidity, stabilized conformation and reduced aggregations of the flavins, leading to increased fluorescence lifetime and quantum yield as controllable photo-luminescent and photo-physical properties.

This paper focuses on parametric model order reduction (PMOR) of guided ultrasonic wave propagation and its interaction with damage in a fiber metal laminate (FML). Structural health monitoring in FML seeks to detect, localize and characterize the damage with high accuracy and minimal use of sensors. This can be achieved by the inverse problem analysis approach which employs the signal measurement data recorded by the embedded sensors in the structure. The inverse analysis requires to solve the forward simulation of the underlying system several thousand times. These simulations are often exorbitantly expensive and triggered the need for improving their computational efficiency. A PMOR approach hinged on the proper orthogonal decomposition method is presented in this paper. An adaptive parameter sampling technique is established with the aid of a surrogate model to efficiently update the reduced-order basis in a greedy fashion. A numerical experiment is conducted to illustrate the parametric training of the reduced-order model. The results show that the reduced-order solution based on the PMOR approach is accurately complying with that of the high fidelity solution.

As a candidate for bifunctional asymmetric catalysts containing a half-sandwich C–N chelating Ir(III) framework (azairidacycle), a dinuclear Ir complex with an axially chiral linkage is newly designed. An expedient synthesis of chiral 2,2’-bis(aminomethyl)-1,1’-binaphthyl (1) from 1,1-bi-2-naphthol (BINOL) was accomplished by a three-step process involving nickel-catalyzed cyanation and subsequent reduction with Raney-Ni and KBH4. The reaction of (S)-1 with an equimolar amount of [IrCl2Cp*]2 (Cp* = 5-C5(CH3)5) in the presence of sodium acetate in acetonitrile at 80 °C gave a diastereomeric mixture of new dinuclear dichloridodiiridium (5) through the double C–H bond cleavage, as confirmed by 1H NMR spectroscopy. A loss of the central chirality on the Ir centers of 5 was demonstrated by treatment with KOC(CH3)3 to generate the corresponding 16e amidoiridium complex 6. The following hydrogen transfer from 2-propanol to 6 provided diastereomers of hydrido(amine)iridium with retaining the bis(azairidacycle) architecture. The dinuclear chlorido(amine)iridium 5 can serve as a catalyst precursor for the asymmetric transfer hydrogenation of acetophenone with a substrate to catalyst ratio of 200 in the presence of KOC(CH3)3 in 2-propanol, leading to (S)-1-phenylethanol with up to 67% ee.

Penicillium digitatum is the major postharvest pathogen of citrus fruit under Mediterranean climate conditions. In the present work, we have addressed the study of the role of P. digitatum’s proteases in virulence following two complementary approaches. In a first approach, we have undertaken the functional characterization of the P. digitatum prtT gene, which codes for a transcription factor previously shown to regulate extracellular proteases in other filamentous fungi. Deletion of prtT caused a significant loss in secreted protease activity during in vitro growth assays. However, there was no effect on virulence. Gene expression of the two major secreted acid proteases was barely affected in the ΔprtT deletant during infection of citrus fruit. Hence, no conclusion could be drawn on the role of these secreted acidic proteases on the virulence of P. digitatum. In a second approach, we have studied the effect of different protease inhibitors and chelators in virulence. Co-inoculation of citrus fruit with P. digitatum conidia and a cocktail of protease inhibitors resulted in almost a complete absence of disease development. Analysis of individual inhibitors revealed that the metalloprotease inhibitor 1,10-phenanthroline was responsible for the observed effect. The application of metal ions reverted the protective effect caused by the metallopeptidase inhibitor. These results may set the basis for the development of new alternative treatments to combat this important postharvest pathogen.

There is much interest in effective copper chelators to correct copper dyshomeostasis in neurodegenerative and oncological diseases. In this study, a recombinant fusion protein for expression in E. coli cells was constructed from glutathione-S-transferase (GST) and the N-terminal domain (ectodomain) of human high affinity copper transporter CTR1 (hNdCTR1), which has three metal-bound motifs. Several biological properties of the GST-hNdCTR1 fusion protein were assessed. It was demonstrated that in cells, the protein was prone to oligomerization, formed inclusion bodies and displayed no toxicity. Treatment of E. coli cells with copper and silver ions reduced cell viability in a dose- and time-dependent manner. Cells expressing GST-hNdCTR1 protein demonstrated resistance to the metal treatments. These cells accumulated silver ions and formed nanoparticles that contained AgCl and Ag0. In this bacterial population, filamentous bacteria with length about 10 μm were often observed. The possibility for the fusion protein carrying extracellular metal binding motifs to integrate into the cell’s copper metabolism and its chelating properties are discussed.

Present worldwide difficulties in healthcare and the environment have motivated the investigation and research of novel materials in an effort to find novel techniques to address the current chal-lenges and requirements. In particular, the use of nanomaterials has demonstrated a significant promise in the fight against bacterial infections and the problem of antibiotic resistance. Metal na-noparticles and carbon-based nanomaterials in particular have been highlighted for their excep-tional abilities to inhibit many types of bacteria and pathogens. In order for these materials to be as effective as possible, synthetic techniques are crucial. Therefore, in this review article, we high-light some recent developments in the design and synthesis of various nanomaterials, including metal nanoparticles (e.g., Ag, Zn, or Cu), metal hybrid nanomaterials, and the synthesis of mul-ti-metallic hybrid nanostructured materials. Following that, examples of these materials’ applica-tions in antimicrobial performance targeted at eradicating multi-drug resistant bacteria, material protection such as microbiologically influenced corrosion (MIC), or additives in construction ma-terials have been described.

The aging mechanism of 10% and 30% nickel substituted manganese hexacyanoferrate cathode material in aqueous zinc-ion batteries has been explored through the advanced synchrotron-based two-dimensional x-ray fluorescence technique. Thanks to the two-dimension modality, not only the metal concentration dynamics throughout the entire electrodes was followed during the aging process, but their spatial distribution was also revealed, suggesting the route of the material transformation. The dissolution of Mn and Ni, and the penetration of Zn inside the framework, alongside the Mn aggregations outside the hexacyanoferrate framework were detected. Additionally, the possibility of conducting x-ray absorption spectroscopy measurements on the regions of interest made it possible to explore the chemical state of each metal, and furthermore, synchrotron-based powder x-ray diffraction demonstrated the gradual structural modification in 30% Ni-containing sample series, in terms of the different phase formation.

The current economic development paradigm, which is based on steadily rising resource consumption and pollution emissions, is no longer viable in a world with limited resources and ecological capacity. The "green economy" idea has presented this context with a chance to alter how society handles the interplay between the environmental and economic spheres. The related concept of "green nanotechnology" aims to use nano-innovations within the fields of materials science and engineering to generate products and processes that are economically and ecologically sustainable, enabling society to establish and preserve a green economy. Many different economic sectors are anticipated to be impacted by these applications, including those related to corrosion inhibitor nano fertilizers, nano remediation, biodegradation, heavy metal detection, biofuel, insecticides & pesticides, and catalytic CO2 reduction. These innovations might make it possible to use non-traditional water sources safely and to create construction materials that are enabled by nanotechnology, improving living and ecological conditions. Therefore, our aim is to highlight how nanotechnology is being used in the green economy and to present promises for nano applications in this domain. Additionally, we want to critically examine the practical difficulties these applications raise, especially in consideration of any possible implications for the health and safety of those employed within this innovative sector. In the end, it emphasizes how critical it is to attain a really sustainable advancement in nanotechnology.