The large-scale processing of Cassava (Manihot esculenta Crantz.) generates significant quantities of solid wastes annually. Cassava peels (CP) account for 5 wt.% - 30 wt.% of wastes from the processing of cassava tubers. The poor disposal and management of CP pose risks to human health, safety and the environment. Therefore, there is an urgent need to identify and examine low cost, socially acceptable and environmentally friendly strategies to mitigate the immediate and long terms disposal and management challenges. Lack of such measures results in the accumulation of CP wastes, which are currently buried, combusted, or dumped in open fields. Therefore, this paper reviewed the potential routes for the biochemical, thermochemical, and plasma valorisation of CP. The literature reviewed revealed that biochemical technologies such as anaerobic digestion (AD) and fermentation are the most widely utilised approaches currently adopted for CP valorisation. AD produces biogas (methane 50-72 vol. % and carbon dioxide 25-45 vol. %), whereas fermentation yields bioethanol. However, the numerous challenges such as substrate-induced inhibition, associated with the biochemical processes hamper microbial degradation, methane formation, and process efficiency. Furthermore, the processes generate secondary wastes or digestate/sludge, which requires additional processing before disposal. Therefore, innovative thermal, thermochemical, and plasma technologies were proposed to valorise CP into syngas, biofuels, bioenergy, biochemicals, and fertilizers, among others. However, the waste products of fermentation cannot be effectively utilised as bio-fertilizers, whereas bioethanol causes corrosion in engines. Overall, the biochemical, thermal, thermochemical and plasma technologies can effectively valorise CP for effective net energy generation.

Thermal energy storage (TES) is a key technology to enhance the efficiency of energy systems as well as to increase the share of renewable energies. In this context, the present paper reports a literature review of the recent advancement in the field of adsorption TES systems. After a first introduction about different heat storage technologies, the adsorption TES working principle is explained and compared to the other technologies. Subsequently, promising features and critical issues at material, component and system levels are deeply analyzed and the ongoing activities to make this technology ready for marketing are introduced.

During the recent decades, global warming by greenhouse gas evolution has attracted worldwide attention and evermore strict regulations thereon have become institutionalized as international policies. In the process, more environment-friendly power generation technologies have been developed utilizing fossil fuels with a view to timely commercialization. As one of such “clean coal” technology, Integrated Gasification Fuel Cell system is a promising power generation means and COS hydrolysis reactor is installed downstream of coal syngas to remove acidic gas constituents such as H2S and COS. The most significant design parameters affecting performance of the COS hydrolysis reactor were selected to be GHSV, (catalytic) reaction temperature, and length ratio and numerical modeling was performed considering heat and fluid flow transfer as well as chemical reaction kinetics. Effect of the selected design parameters on the variation of conversion rate and reactant gas mixture concentration were comprehensively investigated to predict performance of COS hydrolysis reactor. Stochastic modeling of reactor performance was finally performed using Monte Carlo simulation and linear regression fitting.

In implantology, among the key choices, to obtain predictable results, it is essential to establish, on the basis of radiographic examinations, the bone site where to insert the implants; these selected locations must be identified first on the mucosa and then on the cortical bone. Surgical guides represent a valid aid especially in complex cases with more than 3 or 4 implants, whereas in single implant cases they are rarely used. This study evaluates the clinical precision with which the implant sites, on the patient's mucosa, are identified in surgical procedures planned without any templates. The verification of this precision is carried out through thermo-printed templates with radiopaque references which could however help the clinician to identify these sites in a simple, rapid and economical way.

The article discusses the results of investigations performed during a thermo-mechanical treatment of forgings made of chromium-molybdenum 42CrMo4 grade steel. The treatment was realized during a regular series production. The forging process was combined with a heat treatment carried out directly after forging on a specially adapted station. Such a production technology will make it possible to eliminate the step of repeated heating of the forgings. On the example of an element of a steering gear, it was demonstrated how it is possible to perform an isothermal annealing process starting from the temperature at which the trimming of the forgings ends. During the cooling of the forgings, it is enough to maintain the temperature at the proper level in order for the exothermal phase transformation of austenite into pearlite to take place. With an appropriate design of the processing line, the heat released during the transformation could be used to maintain the applied temperature, thus limiting the consumption of energy needed to power the devices. The test results show that, with the properly selected temperature of isothermal annealing, it is possible to obtain an equilibrial ferritic-pearlitic structure in the required hardness scope. Introducing such a solution into the industrial practice would allow significant savings of the energy used for the heat treatment.

This paper introduces a closed-loop control strategy for maintaining consistency of liquid temperature in commercial Drop on Demand (DoD) inkjet printing. No additional sensors or additional actuators are installed in the printhead while achieving the consistency in liquid temperature. To this end, this paper presents a novel in situ sensing-actuation policy at every individual liquid-nozzle, where the jetting mechanism has three distinct roles. It is used for jetting liquid droplet onto the print media based on the print-job. It is used as a soft sensor to estimate the real-time liquid temperature of the jetting nozzle. While not jetting liquid, it is used as a heating actuator to minimize the gradient of liquid temperature among nozzles. The soft sensing based in situ controller is implemented in an experimentally validated digital twin that models the thermo-fluidic processes of the printhead. The digital twin is scalable and flexible to incorporate an arbitrary number of liquid-nozzles, making the control strategy applicable for future designs of the printhead.

Controlling surface-protein interaction during wastewater treatment is the key motivation for developing functionally modified membranes. A new biocatalytic thermo-responsive poly(vinylidene fluoride)(PVDF)/nylon-6,6/poly(N-isopropylacrylamide)(PNIPAAm) ultrafiltration membrane was fabricated to achieve dual functionality of protein-digestion and thermo-responsive self-cleaning. The PVDF/nylon-6,6/PNIPAAm composite membranes were constructed by integrating a hydrophobic PVDF cast layer and hydrophilic nylon-6,6/PNIPAAm nanofiber layer where trypsin enzymes were covalently immobilized. The immobilization density of enzymes on the membrane surface decreased with increasing PNIPAAm concentration, due to the decreased number of amine functional sites. Through a ultrafiltration study using a model solution containing BSA/NaCl/CaCl₂, the PNIPAAm containing biocatalytic membranes demonstrated a combined effect of enzymatic and thermo-switchable self-cleaning. The membrane without PNIPAAm revealed superior fouling resistance and self-cleaning with an R_PD of 22%, compared to membranes with 2 and 4 wt% PNIPAAm with 26% and 33% R_PD, respectively, after an intermediate temperature cleaning at 50°C, indicating that higher enzyme density offers more efficient self-cleaning than the combined effect of enzyme and PNIPAAm at low concentration. The conformational volume phase transition of PNIPAAm did not affect the stability of immobilized trypsin on membrane surface. Such novel surface engineering design offer a promising route to severe surface-protein contamination remediation in food and wastewater applications.

Novel multifunctional fluorescent chemosensors composed of electrospun (ES) nanofibers with high sensitivity toward pH, mercury ions (Hg²⁺), and temperature were prepared from poly(N-Isopropylacrylamide-co-N-methylolacrylamide-co-rhodamine derivative) (poly(NIPAAm-co-NMA-co-RhBN2AM)) by employing electrospinning process. NIPAAm and NMA moieties provide hydrophilic and thermo-responsive properties (absorption of Hg²⁺ in aqueous solutions), and chemical cross-linking sites (stabilization of the fibrous structure in aqueous solutions), respectively. The fluorescent probe, RhBN2AM is highly sensitive toward pH and Hg²⁺. Synthesis of poly(NIPAAm-co-NMA-co-RhBN2AM) with different compositions were carried on via free-radical polymerization. ES nanofibers prepared from sensory copolymers with a 71.1:28.4:0.5 NIPAAm: NMA: RhBN2AM ratio (P3 ES nanofibers) exhibited significant color change from nonfluorescent to red fluorescence while sensing pH or Hg²⁺, and high reversibility of on/off switchable fluorescence emission when Hg²⁺ and ethylenediaminetetraacetic acid (EDTA) were sequentially added. The P3 ES nanofibrous membranes had a higher surface-to-volume ratio to enhance their performance than did the corresponding thin films. In addition, the fluorescence emission of P3 ES nanofibrous membranes exhibited second enhancement above the lower critical solution temperature. Thus, the ES nanofibrous membranes prepared from P3 with on/off switchable capacity and thermo-responsive characteristics can be used as multifunctional sensory devise for specific heavy transition metal (HTM) in aqueous solutions.

This works is related to the modeling of cellulose pyrolysis with a pseudo equilibrium approach. The objective is to model the kinetics of the cellulose pyrolysis with a semi-global mechanism obtained from the literature, in order to obtain the yield and the rate of formation of char. The pseudo equilibrium sense consists in the supposition that the solid phase devolatilization can be described kinetically - at finite rate - , preserving the competitive characteristic between the production of char and tar, while the gas phase can be described by means of chemical equilibrium. A set of ordinary, linear and non linear, differential equations was obtained and solved numerically with a simple but consistent scheme using the Totally Implicit Euler method. Chemical equilibrium was solved using CANTERA coupled with a code written in Matlab. Results showed that the scheme preserve the tar-gas competitive characteristic for cellulose pyrolysis. The gas phase, is defined as a mixture of CO₂, CO, H₂O, CH₄, H₂ and N₂ showed similarly composition compared with models from literature. Finally, the extension of the model to biomass in general, is straightforward, in order to include the hemicellulose and lignin.

Efficient heat management and control in optical devices, facilitated by advanced thermo-optic materials, is critical for many applications such as photovoltaics, thermal emitters, mode-locked lasers, and optical switches. Here, we investigate the thermo-optic properties of 2D graphene oxide (GO) films by precisely integrating them onto microring resonators (MRRs) with control over the film thicknesses and lengths. We characterize the refractive index, extinction coefficient, thermo-optic coefficient, and thermal conductivity of for the GO films with different layer numbers and degrees of reduction, including reversible reduction and enhanced optical bistability induced by photo-thermal effects. Experimental results show that the thermo-optic properties of 2D GO films vary widely with the degree of reduction, with significant polarization anisotropy, enabling efficient polarization sensitive devices. The versatile thermo-optic response of 2D GO substantially expands the scope of functionalities and devices that can be engineered, making it promising for a diverse range of thermo-optic applications.

Lightweight component design is effectively achievable through the sandwich structures, many past research studies in the aerospace and racing sectors (since 1920s) has proven it. To extend their application into automotive and other transport industries, the manufacturing cycle times must be reduced. This can be achieved by thermoplastic sandwich materials of continuous fibre-reinforced thermoplastic (CFRTP) cover layers and thermoplastic honeycomb cores. To widespread the application of flat thermoplastic-based sandwich panels into complex parts, a novel forming technology was developed by the Fraunhofer Institute of Microstructure of Materials and Systems (IMWS). For an increase in reproducibility of the sandwich component production and a decrease in manufacturing defects, numerical modelling methods and experimental validation are needed. The finite element (FE) modelling of this thermoforming process is a thermo-mechanical assignment with all three: material, geometry, and boundary non-linearities. In the scope of this work, the material behavior of different sandwich components (cover layers, honeycomb core, interface) under thermo-mechanical loads is characterized in detail, and a complex numerical model is developed to describe the thermoforming process of thermoplastic-based sandwich laminate. The critical forming condition like wrinkling that occurs due to friction in a sandwich or poor intra-ply shear in cross-ply studied, validated, and optimized. A thermoplastic sandwich made of polypropylene (PP) honeycomb core and polypropylene glass fibre (PP/GF) cross-ply as cover layers was used for this study, and numerical modelling was executed in LS-DYNA software.

The utilization and engineering of thermo-optic effects have found broad applications in integrated photonic devices, facilitating efficient light manipulation to achieve various functionalities. Here, we perform both an experimental characterization and theoretical analysis of these effects in integrated micro-ring resonators in high index doped silica (HIDS), which has had many applications in integrated photonics and nonlinear optics. By fitting the experimental results with theory, we obtain fundamental parameters that characterize their thermo-optic performance, including the thermo-optic coefficient, the efficiency for the optically induced thermo-optic process, and the thermal conductivity. The characteristics of these parameters are compared to those of other materials commonly used for integrated photonic platforms, such as silicon, silicon nitride, and silica. These results offer a comprehensive insight into the thermo-optic properties of HIDS based devices. Understanding these properties is essential for efficiently controlling and engineering them in many practical applications.

THz radiation has assumed a great importance thanks to the efforts in the development of technological tools used in this versatile band of the electromagnetic spectrum. Here we propose a reflecting bi-mirror axicon-like device with wavelength-independent long focusing performances in the THz band, by exploiting the high thermo-mechanical deformation of the elastomer polydimethylsiloxane (PDMS). This deformation permits to achieve significant optical path modulations in the THz band and effective focusing. The surface of a PDMS layer is covered with a gold thin film, acting as heater thanks to its absorption for wavelengths below ~500 nm . An invariance property of the Fresnel integral has been exploited to verify experimentally the THz performances of the device with an ordinary visible laser source, finding excellent agreement with the theoretical predictions at 1 and 3 THz. The same property allowed also to verify experimentally that the axicon focus has a longitudinal extension much greater than that one exhibited by a benchmark cylindrical mirror with the same optical power. The axicon is thermo-mechanically stable up to a heating power of 270 mW, although it might be potentially exploited at higher powers with a minor degradation of the optical performances.

The present study aimed to evaluate the effect of the citric acid on the properties of solid pine wood, which were submitted to thermomechanical treatment. A preliminary test was performed in a previous study to evaluate the influence of different temperatures of pressing and concentrations of citric acid over the physical properties of wood. After choosing the best treatments (170°C and 5% and 10% of citric acid) it was evaluated the effect of these on the chemical properties (SEM, FTIR and pH), on the density profile using an X-ray microtomography, and on the resistance to ageing through abrasion test. The result of the chemical analysis allowed to observe an increase of the presence of ester functional groups, as well as a better coverage and higher acidity of the surface. The density profile technique allowed to observe the formation of peaks of density on the surface where the acid was applied. Lastly, it was also possible to verify an increase in the resistance to abrasion because of the application of the citric acid.

Acetaldehyde decomposition was performed under heating at the temperature range of 25-125oC and UV irradiation on TiO2 doped by the metallic Ni powder and TiO2 supported on the nickel foam. Process was carried out in high temperature reaction chamber “The Praying MantisTM”, with simultaneous in situ FTIR measurements and UV irradiation. Ni powder was added to TiO2 in the quantity of 0.5 to 5.0 wt%. Photothermal measurements of acetaldehyde decomposition indicated, that the highest yield of acetaldehyde conversion on TiO2 und UV irradiation was obtained at 75oC. Doping of nickel to TiO2 did not increase its photocatalytic activity. Contrary to that, application of nickel foam as a support for TiO2 appeared to be highly advantageous, because increased decomposition of acetaldehyde from 31 to 52% at 25oC and then to 85% at 100oC by comparison with TiO2 itself. At the same time mineralisation of acetaldehyde to CO2 increased two times at the presence of nickel foam. However, oxidised nickel foam used as support for TiO2 was detrimental. Most likely, different mechanisms of electrons transfer between Ni-TiO2 and NiO-TiO2 occurred. Application of nickel foam greatly enhanced separation of free carriers in TiO2. As a consequence, high yields of the photocatalytic reactions were obtained.

This paper reports design of a 2 × 4 hybrid multimode interferometer-Mach-zehnder interferometer (MMI-MZI) configuration and compact thermo-optical switch consisting of slab waveguides on the silicon-on-insulator (SOI), platform. The device consisted of two identical MMIs as power splitters and couplers that are connected with two identical MMI-based phase shifters, and linear tapers at both ends of the MMIs to minimize the power coupling loss. A thin Al pad is used as a heating element, and a trench is created around this pad to prevent heat from spreading and to minimize loss. The calculated average thermo-optical switching power consumption, excess loss, and power imbalance are 1.4 mW, 0.9 dB, and 0.1 dB, respectively. The overall footprint of the device is 6 × 304 μm². The new heating method has advantages of compact size, ease of fabrication on SOI platform with the current CMOS technology, and offers low excess loss and power consumption as demanded by devices based on SOI technology. The device can act as two independent optical switches in one structure.

Based on literature data, an analysis was conducted on the thermodynamic and kinetic dependencies of the thermal decomposition of methane. Course of this process was analysed for both thermal and thermal-catalytic conditions. The elementary reaction, i.e. the synthesis of methane from its elements, including its reversibility, was used as the basis for the for considerations on the kinetic model. The conversion degree was adopted as the kinetic parameter (kinetic variable) since this measure is essential for determining the amount of carbon deposit formed and thus closing the mass balance of this process. Several different kinetic models for the elementary reaction were analysed to determine how do they relate in regard to the constant of the reaction rate. It was determined that regardless of whether the process is catalytic or purely thermal, for temperatures t>900°C, the influence of reversibility of the reaction, has negligible influence on the yield of hydrogen produced, and thus can be omitted from the kinetic models. Special attention was given to iron-based catalysts, analysing the reactivity of Fe/C systems. It was demonstrated that the determined kinetic parameters satisfy the Kinetic Compensation Effect (KCE). Furthermore, by incorporating elements of Transition State Theory (TST), the existence of Entropy-Enthalpy Compensation (EEC) was highlighted. Based on these findings Authors show that through analysis of the changes in activation energy (E=20–421 kJ·mol-1) only an estimate of the optimal process conditions can be found, because the isoconversional temperature is also dependent on the way in which the reaction is conducted (T_{iso}=1200-1450K\ >\ \ T_{eq}). In other words, it was found that strong influences of such factors as T, P, etc. can locally compensate each other. Finally, it was also shown that the relations between KCE and EEC complement each other, which is confirmed by the determined average activation entropy at the isokinetic temperature (∆SB= -275.0 J·(mol·K)-1).

In this paper thermo-mechanical behavior of 4D printed Polylactic Acid (PLA) was investigated, focusing on its response to varying strain rates and temperatures below the glass transition temperature. Dynamic mechanical analysis and uniaxial tensile tests confirmed PLA's dependency on strain rate, showcasing its sensitivity to external stimuli. Stress-strain curves exhibited typical thermoplastic behavior, with yield stresses varying with strain rates, underscoring PLA's responsiveness to different deformation speeds. Clear strain rate dependence was observed, particularly at quasi-static rates, with temperature and strain rate fluctuations significantly influencing PLA's mechanical properties, including yield stress and deformation behavior. Isothermal compression tests demonstrated predictable stress-strain curves with distinct yield points, while adiabatic tests reveal additional complexities such as heat accumulation leading to further softening. Thermal imaging revealed temperature increase during deformation, highlighting the material's thermo-sensitive nature. These findings provide the basis for future research with the focus on advanced modeling techniques and mitigation strategies for self-heating effects, aiming to enhance PLA-based product reliability and performance in applications with deformations at higher strain rates, while also developing models to simulate shape recovery in 4D printed PLA structures at both cold and hot programming temperatures.

Photocatalytic decomposition of ethylene was performed under UV-Led irradiation at the presence of nanocrystalline TiO2 (anatase, 15 nm) supported on the porous nickel foam. Process was carried out in the high temperature chamber with regulated temperature from ambient to 125°C under flow of reacted gas (ethylene in a synthetic air, 50 ppm) with simultaneous FTIR measurements of sample surface. Ethylene was decomposed with higher efficiency in elevated temperatures with maximum of 28% at 100-125°C. The nickel foam used as support for TiO2 allowed to enhance the ethylene decomposition at the temperature of 50°C. However, at 50°C the stability of ethylene decomposition was not retained within the following reaction run, but it was at 100°C. Performed photocatalytic measurements at the presence of some radicals scavengers indicated that higher efficiency of ethylene decomposition was obtained due to the improved separation of charge carriers and increased formation of superoxide anionic radicals, which were formed at the interface of thermally activated nickel foam and TiO2.

The paper focuses on two unconventional magnetic field-based treatment regimes applied to an alloyed steel before applying a thermochemical treatment. This study was conducted in order to improve the behavior of the chosen material during the wear process. Increasing the wear resistance and the micro-hardness of the superficial layer obtained from the treatments are a priority, as well as improving the mechanical properties of a Cr-Mo alloyed steel. Thermomagnetic treatment, applied before plasma nitriding treatment, improves the mechanical properties of the base material, especially in the case of a steel with a considerable chromium content (1,02%). This paper is a review of my own researches in the last years.

The leaf essential oils from five Eucalyptus spp.: E. astringens, E. camaldulensis, E. lehmanii, E. leucoxylon and E. sideroxylon growing in the same plantation area and conditions (plants with the same age and subjected to the same agronomic practices) were analyzed and evaluated for their antimicrobial activity. The essential oil yields ranged from 0.14 to 0.96% (w/w), and their chromatographic profiles were resolved into 48 compounds; among them, 11 were common to all essential oils. Terpenoids (oxygenated mono, and sesquiterpenes) dominated (55.66-76.67%) the oil profiles. Although 1,8-cineole (21.97-50.93%) was found as the main oxygenated monoterpene in all examined essential oils, principal component analysis observed and confirmed an interspecific chemical variability. Additionally, a set of distinctive chemical markers that could serve as a reliable tool for discrimination of Eucalyptus species and for authentication and quality control purposes (for commercial samples) has been defined for each essential oil. The antimicrobial disc-diffusion assay results revealed that all essential oils were endowed with a strong antimicrobial activity, with those derived from E. camaldulensis, E. lehmanii and E. leucoxylon being the most active.

In this paper we derived an expression that allows the determination of the thermo-optic coefficient of weakly-guiding germanium-doped silica fibers, based on the thermal behavior of optical fiber devices, such as, fiber Bragg gratings (FBGs). The calculations rely on the full knowledge of the fiber parameters and on the temperature sensitivity of FBGs. In order to validate the results, we estimated the thermo-optic coefficient of bulk GeO2 glass at 293 K and 1.55 m to be 18.3x10-6 K-1. The determination of this value required to calculate a correction factor which is based on the knowledge of the thermal expansion coefficient of the fiber core, the Pockels’ coefficients (p11=0.125, p12=0.258 and p44=-0.0662) and the Poisson ratio (=0.161) of the SMF-28 fiber. To achieve that goal, we estimated the temperature dependence of the thermal expansion coefficient of GeO2 and we discussed the dispersion and temperature dependence of Pockels’ coefficients. We have presented expressions for the dependence of the longitudinal and transverse acoustic velocities on the GeO2 concentration used to calculate the Poisson ratio. We have also discussed the dispersion of the photoelastic constant. An estimate for the temperature dependence of the thermo-optic coefficient of bulk GeO2 glass is presented for the 200-300 K temperature range.

Technical components should be produced sustainably and are subject to growing demands in terms of durability and reliability. To meet these expectations, the development of thermochemical processes is auspicious. Titanium alloys, which have a comparatively high gas solubility, allow temporary hydrogen (H) loading, often called thermo hydrogen treatment (THT). THT causes lattice deformation and reduces the β transformation temperature. These effects enable an adjustment of the microstructure, which improves the mechanical properties as compared to those produced conventionally. Furthermore, the process is applicable to complex geometries that cannot be surface hardened by mechanical surface treatment techniques. The investigation presented intends to realize a local microstructure gradient in additively via laser-powder bed fusion (L-PBF) manufactured cylindrical Ti–6Al–4V specimens by changing the distribution and morphology of strengthening precipitates as well as the β grain size depending on the distance to the surface, which should improve the material fatigue properties. To evaluate the mechanical properties of such THT-induced microstructure gradients, the resulting change in fatigue life in the LCF and HCF range was determined by stress-controlled cyclic deformation tests. Besides, the resulting microstructure was characterized by means of XRD and TEM. In addition to the additively manufactured and thermo hydrogen treated cylindrical specimens, conventionally produced tube-like specimens were thermo hydrogen treated and examined. For the THT-induced microstructure gradients, numerically simulated H concentration profiles as well as experimentally determined hardness profiles were used for the evaluation of the THT process. The study shows that H-loading at 500°C and H-degassing at 750°C, followed by aging at 550°C, allows the establishment of a microstructure gradient that shows an 8% improvement in fatigue properties compared to a reference condition without THT. The reason for this improvement is an increased volume fraction secondary alpha phase in the near-surface area of the specimens. Moreover, the results show that the process is applicable a tube-like specimen with varying wall thicknesses.

This study examines the behavior of stearic acid (SA) and 12-hydroxystearic acid (12-HSA) aqueous mixtures as a function of temperature and 12-HSA/SA molar ratio (R). Whatever R, the system exhibits a morphological transition at a given threshold temperature, from multilamellar self-assemblies at low temperature towards small micelles at high temperature, as shown by a combination of transmittance measurements, Wide Angle X-ray diffraction (WAXS), small angle neutron scattering (SANS) and differential scanning calorimetry (DSC) experiments. Such transition originates from the melting of the crystallized fatty acids within the lamellar phase. The precise determination of the threshold temperature, which ranges between 20°C and 50°C depending on R, allows for the construction of the whole phase diagram of the system as a function of R. At high temperature the micelles that are formed are oblate for pure SA solutions (R = 0) and prolate for pure 12-HSA solution (R = 1). In the case of mixtures, there is a progressive continuous transition from oblate to prolate shape when increasing R, with micelles that are almost purely spherical for R = 0.33.

The photoelectric effect induced by blackbody radiation could be a mechanism to harvest ambient thermal energy at a uniform temperature. Here, I describe (without going too much into mathematical details) the theoretical model I developed starting from 2010 to study that phenomenon, and I summarize the results of the numerical simulations. Simulations tell us that the process must be there. Moreover, at least two experimental tests have been performed in the past years that seem to corroborate, although not definitely, the alleged functioning of the proposed mechanism. Unfortunately, at present, the obtainable power density is extremely low and inadequate for immediate practical applications.

Agro-waste fibres for polymer composite reinforcement have gained increased interest in industry and academia as a more sustainable alternative to synthetic fibres. However, natural fibre composites (NFC) hygroscopicity is still an issue that needs to be solved. This work investigates how prolonged exposure to water affects the properties of the polypropylene (PP)--based injection moulded composites reinforced with different contents of rice husk (rh) and olive pit (op) fibres. Both rh and op composites became more hydrophilic with increased fibre charge due to the affinity of cellulose and hemicellulose OH groups. Meanwhile, lignin contributes to the protection of the composites from thermo-oxidative degradation caused by water immersion. The PPrh composites had a higher saturation water content of 1.47% (20 wt.% rh) and 2.38 (30 wt.% rh) in comparison to PPop composites with absorption of 1.13% (20 wt.% op) and 1.59% (30 wt.% op). Tensile elastic modulus has slightly increased, at the cost of increased saturated composites' rigidity, in composites with 30% rh and op fibre content (up to 13%) while marginally decreasing (down to 8%) in PP30%op compared to unsaturated counterparts. A similar trend was observed for the flexural modulus, enhanced up to 18%. However, rh and op composites with 30% fibre content ruptured in bending, highlighting their fragility after hydrolytic ageing.

Currently, efficient utilization of low-grade thermal energy is a great challenge. Thermoelectricity is an extremely promising method of generating electrical energy from temperature differences. As a promising energy conversion technology, thermo-electrochemical cells (TECs) have attracted much attention in recent years for their ability to convert thermal energy directly into electricity with high thermal power. Within TECs, anions and cations gain and lose electrons, respectively at the electrodes using the potential difference between the hot and cold terminals of the electrodes by redox couples. Additionally, the anions and cations therein are constantly circulating and mobile via concentration diffusion and thermal diffusion, providing an uninterrupted supply of power to the exterior. This review article focuses mainly on the operation of TECs, recent ad-vances in redox couples, electrolytes, and electrodes. The outlook for optimization strategies re-garding TECs is also presented in this paper.

The decreasing width, increasing aspect ratio RDL presents significant challenges to design for reliability (DFR) of advanced package. Therefore, this paper proposes a ML based RDL modeling and simulation method. In the method, RDL is divided into blocks and subdivided into pixels of metal percentage, and the RDL is digitalized as tensors. Then, an ANN-based surrogate model is built and trained by a subset of tensors to predict the equivalent material properties of each block. Lastly, all blocks are transformed into elements for simulations. For validation, line bending simulations were conducted on an RDL, with the reaction force as accuracy indicator. The results show that neglecting layout impact causes critical errors as substrate thins. By the method, the reaction force error is 2.81% and the layout impact can accurately be considered with 200×200 elements. For application, the TCT maximum temperature state simulation was conducted on a CPU chip. The simulation indicates that for advanced package the maximum stress more likely occurs in RDL rather than bumps, both RDL and bumps are critical impacted by layouts, and RDL stress is also impacted by vias/bumps. The proposed method precisely concerns layout impacts with little resources, presents an opportunity of efficiency improvement.

A computational simulation of a PT6A gas turbine engine operating at off-design conditions is described in the present article. The model consists of a 0-dimensional thermo-fluidic description of the engine by applying the mass, linear momentum, angular momentum, and energy balances in each engine's component. The transient behavior of the engine is simulated for different blends of the original JET-A1 fuel with bio-diesel. Simulated thermodynamic variables of the air at each engine's component, as well as some performance parameters correspond to the reported experimental measurements. The numerical results also demonstrate the ability of the computational simulation to predict acceptable fuel blends, such that the efficiency of the engine is maximized and its structural integrity is maintained.

Reticular and cluster materials often feature complex formulas, making a comprehensive overview challenging due to the need to consult various resources. While datasets have been collected for metal-organic frameworks (MOFs), covalent organic frameworks (COFs), and zeolites, among others, there remains a gap in systematically organized information for polyoxometalates. This paper introduces a carefully curated dataset of 1984 polyoxometalate (POM) and related cluster metal oxide formula instances, currently connecting over 2,500 POM material instances. These POM instances incorporate 75 different chemical elements, with compositions ranging from binary to octonary element clusters. This dataset not only enhances accessibility to polyoxometalate data but also aims to facilitate further research and development in the study of these complex inorganic compounds.

Vermicomposting is one of the most important waste management techniques in the process of vermiculture. In this study, a Neural Network-assisted novel paradigm is proposed to predict waste from vermicomposting. The proposed Neural Network Skeleton is based on a Gallium Arsenide Processing Schema, which is used to separate wastes. By comparing the proposed sys-tem with existing methods, it was found that the proposed approach had the highest average prediction ratio of 91.32%, outperforming other techniques like ERD, RNN, and Deep LSTM. The separation ratio analysis also demonstrated the effectiveness of the proposed method, with a range of 45-94%. Furthermore, the study emphasizes the importance of chemical equilibrium and the effectiveness of our proposed Gallium Arsenide Processing Schema in achieving high prediction and separation accuracies, showcasing its potential for practical application in waste management processes. Lastly, the prediction of the process evolution stages is detailed, indicating the efficiency of the proposed system in achieving various levels of waste separation. Overall, the study provides valuable insights into the potential of the proposed methods in op-timizing wastewater management processes, paving the way for more effective and sustainable vermicomposting practices.

Steady-state one-dimensional flows of five-component air behind a normal shock wave are considered with one-temperature model. A mathematical model is formulated to describe the relaxation of a five-component air mixture with a one-temperature non-equilibrium approximation. A numerical study of non-equilibrium flows of a reacting five-component air mixture behind shock waves at different heights and velocities of free flow is performed. The contribution of different types of reactions to the overall relaxation of the mixture is discussed, and the distributions of macro-parameters of the flow behind the shock wave front are calculated. The lengths of the relaxation zones behind the shock wave front are compared at different initial conditions.

Single photon ionization (SPI) based on vacuum ultraviolet (VUV) lamps has been extensively investigated and applied due to its clean mass spectra as a soft ionization method. However, the photon energy of 10.6 eV and photons flux of 106 photons/s of commercial VUV lamp limits its range of ionizable analytes as well as sensitivity. This work designs a chemical ionization focusing integrated (CIFI) ionization source time-of-flight mass spectrometry (TOFMS) based on VUV lamp for the detection of volatile organic compounds (VOCs) and oxygenated volatile organic compounds (OVOCs). The photoelectrons obtained from the VUV lamp through the photoelectric effect ionized the oxygen in the air to obtain the reagent ions O2+, and segmented quadrupole constituted the ion-molecule-reaction region (IMR) and radially focused the ions using a radio-frequency electric field, which improved the yield and transport efficiency of the sample ions and the sensitivity of mass spectrometry, resulting in 44-fold and 1154-fold increase in signal response to benzene and pentanal, respectively. To verify the reliability of the ionization source, the linear correspondence and repeatability of benzene and pentanal were investigated. Satisfactory dynamic linearity was obtained in the concentration range of 5-50 ppbv, and daytime RSD reached 3.91% and 6.26%, respectively. Finally, the CIFI ionization source TOFMS was applied to the determination of OVOCs, and the LOD of 12 types of OVOCs can reach the pptv level, indicating that the ionization source has the potential for accurate and sensitive online monitoring of atmospheric OVOCs.

SiOx films, frequently derived from amino silane precursors, have found several applications with high added value. Although frequently used, the deposition of coatings from Tris(dimethyl amino)silane (TDMAS) has been reported to demand considerable amounts of energy, mainly due to the difficulty of oxidizing such compound. As it is well known, Plasma-enhanced atomic layer deposition (PEALD) is able to improve the oxidation efficiency even under low process temperatures. Owing to that, PEALD can be considered as a very promising technique for the deposition of SiOx coatings. In this work, it has been investigated the deposition of silicon oxide films using TDMAS at 150°C. It has been evaluated the effect of the plasma oxidation time (6 to 18 s) and of the atmosphere composition (pure O2 or O2+Ar) on the chemical structure, elemental composition and chemical bonding state of the films. Increasing the plasma oxidation time in pure O2 resulted in larger proportion of retained C (Si-CH3) whereas N was preserved in the structure (Si-N). on the other hand, the formation of SiOx films from TDMAS is favored in shorter oxidation times in O2 + Ar plasmas.

Purpose: this paper evaluates the effect of thermo-formed aligners with complementary biomechanical attachments (CBA) on periodontal ligaments (PDL) during the expansion process of the maxillary arch using simulations based on the finite element method (FEM). Methods: four types of teeth (canine 3, premolar 4, premolar 5 and molar 6) were modeled using 3D CAD. In addition, aligners, CBAs and PDL were also 3D modeled. With this information, a FEM model was generated, and a clinical rehabilitation scenario was simulated. For the validation of the results, a comparison with medical records was performed. Results: for canine 3, the displacement was 0.134 mm with a maximum stress of 4.822 x10-3MPa in the amelocemental junction. For premolar 4, the displacement was 0.132 mm at a maximum stress of 3.273x10-3MPa in the amelocemental junction. Premolar 5 had a displacement of 0.129 mm and a stress of 1.358 x10-3MPa at 1 mm from the amelocemental junction. Molar 6 had a displacement of 0.124 mm and a maximum stress of 2.440 x10-3MPa. Conclusions: The simulations showed that the use of CBA reduces tooth tipping. The model with Vestibular CBA presented the best results in terms of the dental movement of expansion of the maxillary arch with the use of thermoformed aligners. Significance: Considering the difficulty of performing in vivo tests that evaluate the configuration effectiveness of the different CBA alternatives in thermoformed aligners, FEM techniques were used to reduce time and costs, and get accurate results with minimal errors.

Waste cooking oil (WCO) recycled asphalt is facing issues regarding insufficient thermal oxidation stability and aging resistance. In this research, glycerol esterification was adopted to pretreat WCO, and the consequences of this treatment on the aging resistance and thermal stability of WCO were analyzed. The impacts of varying levels of esterification of WCO on the high-temperature, low-temperature performances, fatigue properties, as well as aging resistance of recycled asphalt were investigated. Furthermore, the mechanisms of regeneration and anti-aging of deeply esterified WCO recycled asphalt were revealed by Fourier transform infrared spectroscopy (FTIR) and gel permeation chromatography (GPC) tests. The results indicated that variations in the physical properties of WCO during the aging process were reduced, and its aging resistance was improved following glycerol esterification therapy. The initial thermal decomposition temperature was increased by approximately 115°C, which resulted in the enhancement of thermal stability significantly. Recycled asphalt obtained from deeply esterified WCO exhibited superior high-temperature, low-temperature performances and fatigue properties. Moreover, the thermal oxidation stability and aging resistance of recycled asphalt with deep-esterified WCO could be promoted by reducing the oxidation and volatilization of light components during the aging process.

Due to their remarkable intrinsic physical properties, carbon nanotubes (CNTs) can enhance mechanical properties and confer electrical and thermal conductivity to polymers currently investigated for use in advanced applications based on thermal management. An epoxy resin filled with varying concentrations of CNTs (up to 3 wt.%) was produced and experimentally characterized. The electrical percolation curve identified two critical filler concentrations: 0.5 wt%, near the electrical percolation threshold, suitable for exploring mechanical and piezoresistive properties, and 3 wt% for investigating thermo-electric properties due to the Joule effect with applied voltages ranging from 70V to 200V. Numerical models were developed using multiphysics simulation software. Once validated with experimental data, these models were used to investigate additional physical properties of the composites. Furthermore, a statistical approach based on the design of experiments (DoE) was employed to examine the influence of certain thermal parameters on the final performance of the materials. The purpose of this research is to promote the use of contemporary statistical and computational techniques alongside experimental methods to enhance understanding of materials science. New materials can be identified through these integrated approaches, or existing ones can be more thoroughly examined.

Thermally-induced moisture flow in unsaturated soils is a complex coupled thermal-hydro process involving moisture flow both in vapor and liquid phases. Thermally-induced moisture flow in unsaturated sands is usually less pronounced than fine soils due to their low field capacity. It is affected by many factors, including soil density, particle size, moisture content, and gravity-induced flow. Besides, soil moisture sensors need to be highly accurate and calibrated for temperature effects in order to monitor the thermally induced moisture flow accurately. A silty sand with 35% non-plastic fines was selected to study the coupled thermo-hydro processes in a closed heat cell. The heat cell consists of two temperature-controlled heat exchanger plates at the top and bottom, heat flux sensors, moisture sensors, thermocouples, and heat conductivity sensors. The soil was prepared at various initial moisture content and tested under a constant 1-D temperature gradient. The soil moisture sensors were first calibrated in the test soil at room temperature and then at elevated temperatures. The soil moisture redistribution, temperature and thermal conductivity profiles were determined. The critical moisture content, corresponding to maximum moisture movement, was also determined. The results offer new insights into coupled moisture-heat flow in unsaturated sands.

In order to search possible residual minor phases in Y-Ba-Cu-O family, powdered mixtures of Y₂O₃ + BaCO₃ + CuO and, independently, superconducting compound YBa₂Cu₃O_7-x have been treated in evacuated cells and elevated temperatures.YBa₂Cu₃O_7-x was reduced to YBa₂Cu₃O₅ by use of the special home designed Taconis-Knudsen vacuum device. A subsequent doping by oxygen converts produced insulator YBa₂Cu₃O₅ to semiconductor or metal YBa₂Cu₃O_5+x (0<x<0.3). In addition to YBa₂Cu₃O₅, 0.05 volume percent of the minor delafossite phase Y₂Cu₂O₄ was being spotted in the powder mixture 1/2 Y₂O₃ + 2BaCO₃+6Cu₂O, heated up to 818 °C in an inert gas atmosphere. An attempt to prepare the insulating bulk delafossite samples was successful, and subsequent doping by oxygen produces novel metallic phases.

Silicon-based microchannel technology offers unmatched performances for cooling high energy physics silicon-pixels detectors. Although Si-Si direct bonding, used for the fabrication of cooling plates, meets the stringent requirements of this application, in particular high-pressure resistance (~200 bar), it is reported to be a challenging and expensive process. In this work, we have evaluated two alternative bonding methods towards a more cost-effective fabrication process: Si-Glass-Si anodic bonding (AB) with a thin-film glass and Au-Au thermocompression (TC). The bonding strength of the two methods were evaluated with destructive pressure burst tests (0 - 690 bar) on test structures, each made of a 1×2 cm² silicon die etched with a tank and an inlet channel and sealed with a plain silicon die using AB or TC bonding. The pressure resistance of the structures was measured to be higher for the TC sealed samples (max. 690 bar) than for the AB ones (max. 530 bar) but less reproducible. The failure analysis indicates that the AB structure resistance is limited by the adhesion force of the deposited layers. Nevertheless, both the TC and AB methods provided sufficient bond quality to hold the high pressure required for the high energy physics pixel detectors cooling application.

The aim of this paper is to expose the main involved physical phenomena underlying the alteration of convective heat transfer in a heat exchanger subjected to imposed vibrations. This technique seems to have interesting features and industrial applications, such as efficiency increase, heat transfer rate control and cleanliness action. However, a clear description and comprehension of how vibrations may alter the convective heat transfer coefficient in a heat exchanger is no still reached due to the complexity of the involved physical mechanisms. For this reason, after a presentation and a schematisation of the analyzed thermodynamic system, the fundamental alterations of the thermo-fluid dynamics fields are described. Then, the main involved physical phenomena are exposed for the three cases of gaseous, monophasic liquid and boiling liquid mediums. Finally, on the basis of the characteristics of these described phenomena, some considerations and indications of general validity are presented.

The nephrite belt in Altun Mountain-Western Kunlun Mountain region spanning approximately 1300 km in Xinjiang, NW China, constituting the world's largest preeminent nephrite deposit. The Qiemo region in the Altun Mountain is a crucial nephrite-producing area in China with demonstrating substantial prospects for future explorationl. While extant research has extensively study on secondary deposits in the Karakash River and native black nephrite deposits in Guangxi Dahua, a lacuna exists in the comprehensive investigation of black nephrite from original deposits in Xinjiang. Margou nephrite represents a recent discovery of black-toned nephrite deposits in Qiemo County, Xinjiang, warranting a comprehensive investigation into this primary source of black nephrite within the region. This scholarly inquiry deploys a suite of sophisticated analytical techniques, encompassing Polarizing microscope, electric microprobe, Backscattered Electron Image, X-ray Fluorescence, Inductively Coupled Plasma Mass Spectrometry. The rigorous experimental test is dedicated to elucidating the chemical and mineralogical composition, and further clarify the type of its genetic types of black-black cyan nephrite from Margou deposit in Qiemo, Xinjiang. Results delineate the mainly composed of tremolite-actinolite, characterized by Mg/(Mg + Fe2+) ratios ranging from 0.86 to 1.0. Minor minerals include diopside, epidote, pargasite, apatite, zircon, pyrite and iron hydroxide. Bulk-rock rare earth element patterns exhibit distinctive features such as negative Eu anomalies (δEu=0.00~0.17), decreasing light rare earth elements, a relatively flat distribution of heavy rare earth elements, and low with total REE concentrations (1.64~38.9 μg/g), concurrently, the Cr (6~21 μg/g) and Ni (2.5~4.5 μg/g) contents are conspicuously low. The magmatic influence of granite emerges as pivotal factor in the genesis of magnesia skarn hosting the Margou nephrite. The distinctive black-black cyan colour is attributed to heightened iron content, mainly associated with FeO (0.08~6.29%). The discerned chemical composition characteristics posit the Margou nephrite as an exemplar of the magnesia skarn-type nephrite deposit.

Pleione is a genus of Orchidaceae and is one of the major sources of Pseudobulbus Cremastrae seu Pleiones (PCsP). It contains many constituents, such as phenanthrene, bibenzyl, glycoside, flavonoid and so on, which have plenty of bioactivities, including anti-tumor, anti-oxidation, anti-inflammatory, lowering glycemic levels and other pharma cological activities. In order to further utilize the edible and medicinal functions of Pleione, and clarify its medicinal active ingredients, this review systematically summarizes the constituents and pharmacological effects of Pleione, which will provide a theoretical foundation for the clinical application and new drug development．

The chlorophyll content and mineral compositions of plants are highly dependent on the species' physiological responses and environmental stress tolerance. The chlorophyll content is important for determining abiotic stress tolerance in tomatoes and peppers. Several studies found that foliar applications of specific components increased tomato and pepper output by increasing nutrient uptake. After transferring the seedlings to the incubator, three tomatoes (Mobil, Korall, and Tyking F1) and three pepper varieties (Carma, Fokusz, and Bobita F1) were sprayed. The following solutions were applied at a rate of 4 mL to each different plant: sodium bicarbonate (0.52%), 50 mg L-1 salicylic acid, and distilled water. A chlorophyll sensor (SPAD-502) was used to collect 5 measurements from each plant after 2 days and 8 days of spraying. Five plant sap samples were collected from ten plants after 38 days of transplantation. The calcium ion (Ca+2), potassium ion (K+), and nitrate (NO3-) contents (mg L-1) in plant sap were measured using three calibrated electronic sensors of the type (HORIBA instruments LAQUA-TWIN). The factorial analysis of two factors was used in data collection and statistical analysis. The first variable was the variety and the second was the spray treatment, and each record had five observations. The Tukey-Kramer test in Minitab 20 was used to assess differences in means between groups. Minitab 20's regression response optimizer was used to determine the maximum and minimum responses to calcium, potassium, nitrate, and chlorophyll content factors in each plant. Salicylic acid 50 mg L-1 produces the strongest multiple responses, particularly in tomato cultivars (Tyking F1 and Korall). The multiple minimum responses were for the variety (Mobil). Spraying (Mobil) with salicylic acid (50 mg L-1) and sodium bicarbonate (0.52%) produced unsatisfactory results. Salicylic acid 50 mg L-1 elicits also the most powerful multiple responses, particularly in the (Carma) pepper cultivar. The results revealed multiple minimum responses for the variety (Bobita F1). Finally, it is recommended that growers grow tomatoes (Mobil) without any supportive spraying treatment because the vigor of tomato (Mobil) seedlings was significantly higher in suboptimal environmental conditions. Gardeners should consider growing (Carma) pepper with a supportive spraying application of salicylic acid 50 mg L-1.

The Covid‐19 pandemic, evolving needs of students & mentors, and the drive for global educational equality are collectively shifting how courses are packaged/distributed, ushering a more holistic approach and blending of fields. We recently created interdisciplinary courses in chemical biology aimed at massive open online and small private levels. These courses cover biology, chemistry, & physics, and concepts underlying modern chemical‐biology tools. We discuss what we learned while creating/overseeing these courses: content optimization and maintaining material freshness while fostering a stimulating learning environment. We outline mechanisms that help sustain student attention throughout rapidly‐moving courses, how to integrate adaptability to students’ needs in the short & long term, and speculate how we could have improved. We believe this will be an important guide for anyone wanting to develop online learning formats ideal for nurturing interdisciplinary scientists of tomorrow.

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

Quasicrystals are a class of ordered solids made of typical metallic atoms but they do not exhibit the physical properties usually signaling the presence of metallic bonding and their electrical and thermal transport properties resemble a more semiconductor-like than metallic character. In this paper I first review a number of experimental results and numerical simulations suggesting that the origin of the unusual properties of these compounds can be traced back to two main features. For one thing, we have the formation of covalent bonds among certain atoms grouped into clusters at a local scale. Thus, the nature of chemical bonding among certain constituent atoms should play a significant role in the onset of non-metallic physical properties of quasicrystals bearing transition-metal elements. On the other hand, the self-similar symmetry of the underlying structure gives rise to the presence of an extended chemical bonding network due to a hierarchical nesting of clusters. This novel structural design leads to the existence of quite diverse wave functions, whose transmission characteristics range from extended to almost localized ones. Finally, the potential of quasicrystals as thermoelectric materials is discussed on the basis of their specific transport properties.

We report the growth of graphene at a low temperature using the cold wall chemical vapor deposition technique (CWCVD). Few layered (~6-8 layers) graphene were grown on nickel-coated silicon with acetylene as the precursor gas. The advantage of the combination of the acetylene (as a carbon feedstock) and the nickel catalyst was the lowering of the graphene growth temperature. Nickel coated silicon samples were pre-treated (heat treatment in inert atmosphere) before the growth and the effect of the pre-treatment on the catalyst as well as on the grown film was studied. The final samples were characterized with scanning electron microscopy and Raman spectroscopy. In CWCVD route, the heating of only the substrate holder enabled high heating and cooling rates, which, along with the control over partial pressure of the precursor gas had profound effect on the formation of graphene. In the best sample we have achieved almost equal intensity of the G and 2D peaks in Raman spectrum, which implied about ~6-8 layers of Graphene. The defect peak (the D band) was extremely small in the sample and it was attributed to the ripples and the underlying roughness of the nickel film. We analyzed that a proper choice of the thickness of catalyst layer and a higher cooling rate after graphene growth it would be possible to obtain monolayered graphene. Similar samples grown in a normal atmospheric CVD (with some engineered design to promote fast cooling) were also compared with the cold wall CVD grown samples and plasma assisted CWCVD, and cold-wall CVD demonstrated a better control over the quality of graphene film through the fast cooling and a controlled partial pressure of the precursor gas.

Compound databases of natural products have a major impact on drug discovery projects and other areas of research. The number of databases in the public domain with compounds from natural origin is increasing. Several countries have initiatives in place to construct and maintain compound databases that are representative of their diversity. Examples are Brazil, France, Panama and recently Vietnam. Herein, we discuss the first version of BIOFACQUIM, a novel compound database with natural products isolated and characterized in Mexico. We discuss its construction, curation, and a complete chemoinformatic characterization of the content and coverage in chemical space. It is reported the profile of physicochemical properties, scaffold content, and diversity, as well as structural diversity based on molecular fingerprints. BIOFACQUIM is freely available.

Interior permanent magnet motors (IPMSMs) are extensively used as traction motors today because of their exceptional torque and power density, and wide constant power operating range. Under real-world usage, an IPMSM rotor undergoes varying electromagnetic, thermal, and mechanical loads. Under such conditions, fatigue life-based design criteria should be utilized over stress-based design criteria to ensure the structural integrity of the rotor. Moreover, the driving dynamics can change the rotor temperature continuously, which affects the electromagnetic, mechanical, and fatigue properties of rotor material. This paper proposes a robust thermo-mechanical rotor fatigue simulation workflow considering the significant loads acting on an IPMSM rotor and the temperature variation throughout a drive cycle. It discusses an accelerated fatigue life estimation approach based on peak valley extraction to reduce the simulation time significantly for stress and fatigue analysis. Then, it presents a method for stress-life curve generation for a variable loading. It also presents a sensitivity study with a median S-N curve, and a 90%-reliability 95%-confidence (R90C95) S-N curve.

Waste heat recovery stands out as a promising technique to tackle both energy shortages and environmental pollution. Currently, this valuable resource, generated from processes like fuel combustion or chemical reactions, is often dissipated into the environment, despite its potential to significantly contribute to the economy. To harness this untapped potential, a travelling-wave thermo-acoustic generator has been designed and subjected to comprehensive experimental analysis. Fifty-two data corresponding to different working conditions of the system were extracted to build ANN, ANFIS and ANN-PSO models. Evaluation of performance metrics reveals that the ANN-PSO model demonstrates the highest predictive accuracy (R^2=0.9959), particularly in relation to output voltage. This research demonstrates the potential of machine learning techniques for the analysis of thermo-acoustic systems. By doing so, it is possible to get an insight into nonlinearities inherent to thermo-acoustic systems. This advancement empowers researchers to forecast the performance characteristics of alternative configurations with a heightened level of precision.

This paper reports 2 × 4 hybrid Mach-zehnder interferometer (MZI) - multi-mode interferometers (MMI) based compact thermo-optical switch consisting of slab waveguides on silicon-on-insulator, SOI, platform. The device consists of two identical MMIs, each of 6 μm wide and 140 μm long connected with two phase shifters MMIs each with 2 μm wide and 8 μm long and linear tappers each 4 μm long, connected at both ends of the MMIs to minimize the power coupling loss. The loss for linear taper is found to be below 0.02dB. The footprint of the whole device is six 6 μm × 324 μm. This structure is based on unique multimode region shape, which leads optical switch to have less coupling loss and reduced cross-talk. The average thermo-optical switching power consumption is 1.4 mW, the excess losses are 0.8 dB, and the imbalances are 0.1 dB. Aluminum is used as a heating pad, and a trench is created around this pad to prevent from spreading of heat and reduce power loss almost by a factor of 2 to the adjacent phase shifter. Our new heating method has advantages of compact size and ease of fabrication with the current CMOS technology.

In this tutorial review, we compare and contrast the chemical mechanisms of electrophile/oxidant sensing, and the molecular mechanisms of signal propagation. We critically analyze biological systems in which these different pathways are believed to be manifest and what the data really mean. Finally, we discuss applications of this knowledge to disease treatment and drug development.

Zinc oxide (ZnO) as a semiconductor in its crystalline or amorphous form is still a promised material, especially under isobaric and isothermal ensembles. In this work, Parallel and Equilibrium Molecular Dynamics and DL_POLY_4 software are employed to predict the relationship between the behavior of ZnO chemical bonds and the phase transition literatures, using correlation function g(r) of Zn-Zn, Zn-O, and O-O pairs. Our system is composed of 5832 atoms of ZnO rocksalt structure (2916 atoms of Zn2+ and 2916 atoms of O2-), under the temperature of 300 (K) and the range of pressure 0-400 (GPa). The lengths of ZnO bonds, the standard error, standard deviation, the maximum of g(r), and the percentage of the variation of the bonds are analyzed. The interatomic interactions are modeled by the potential of Buckingham for short-range and Coulomb for long-range interactions. The calculations were run on the RAVEN Supercomputer of Cardiff University (UK). Our data are mostly in the vicinity of available information of bonds lengths; the rest can be deduced from the pressure of phase transition to use it as a new approach of phase transition confirmation. However, the rest of our results are still a prediction because of no results under extended pressure used in this work.

Objective: This study aimed to validate the use of liquid phenol-based chemical peeling therapy for cervico-vaginal intraepithelial neoplasia (CIN and VaIN), with the goal of circumventing obstetric complications associated with surgical treatment. Methods: A total of 483 eligible women diagnosed with CIN and/or VaIN participated in this study. Participants underwent phenol-based chemical peeling therapy every 4 weeks until disease clearance. Disease clearance was determined by negative Pap tests for four consecutive weeks. HPV genotyping was conducted at the onset of the study and after disease clearance in select cases. Results: Among the 476 participants (excluding those with cancer), the number of treatment sessions until CIN/VaIN clearance ranged from 2 to 49 (median = 7 sessions). Forty-five participants (9.4%) underwent surgical treatments. Seven participants (1.5%) experienced recurrence, presenting with CIN2/VaIN2 or worse lesions; of these, three underwent LEEP, while four repeated the chemical peeling therapy. No obstetrical complications were noted among the 98 pregnancies following this therapy. The findings suggest that phenol-based therapy is safe and effective for CIN, although it requires numerous and lengthy treatments. Factors associated with resistance to this therapy include immune suppression, high-grade lesions, multiple HPV type infection, and direct or passive smoking.

Nanofibres have gained increasing attention due to their advantages of having a high porous structure, narrow pore size and distribution, and a high specific surface area. One of the most efficient techniques for producing nanofibres is via electrospinning. Nanofibres are currently being used in various fields, including water filtration. Although nanofibres possess the ability to filter various components, the fibres generally have a low mechanical strength that can mitigate the performance over time. Therefore, in overcoming this issue, several studies have focused on improving the strength of the nanofibre membranes for a water filtration application. This review discusses the advantages and challenges of nanofibres for water filtration membranes and summarises the methods to increase the strength of the membranes, including solvent vapour, thermal treatment, and chemical crosslinking.

The conversion of methane into chemicals is of interest to achieve a decarbonized future. Fuel cells are electrochemical devices commonly used to obtain electrical energy, but can be utilized either for chemicals production or both energy and chemicals cogeneration. In this work, the partial oxidation of methane in fuel cells for electricity generation and valuable chemicals production at the same time is reviewed. For this purpose, different types of methane-fed fuel cells, both low temperature fuel cells, such as PEMFCs and AAEMFCs, and high temperature fuel cells, such as SOFCs, have been used. Also if few works have been devoted to this topic, the promising results drive the development of fuel cells using methane as the source for the cogeneration of power and valuable chemicals.

Various techniques have been used to “clean-up” industrial phosphoric acid: precipitation, flotation, activated charcoal or clay treatment. To address membrane processes potential in phosphoric acid clarification process, this study explores the advantage of membrane techniques as new route for phosphoric acid clarification in an eco-efficient way through the use of “regenerated spent membrane”. Regeneration of the spent membranes was performed on of 0.15 m2 active area regeneration. These membrane samples were used to study the phosphoric acid clarification at a laboratory scale. They were immersed in an oxidizer for at most seven days. The samples were characterized systematically before immersion in an oxidant media. In this study, the potential to regenerate spent membranes and application of this media to clarify the 29% P2O5 phosphoric acid was demonstrated. This study shows, by tests that the reverse osmosis (RO) membranes achieve an abatement of 70% and 65% for solids and organic materials, respectively. These positive results will pave the way for implementing these membranes phosphoric acid treatment process. Moreover, besides being economically advantageous, the use of the spent membrane is likely an environmentally friendly route (no waste, no organic solvent and effluent to be regenerated later on).

The kinetics of biogas production from biomass depends on several factors such as: carbon to nitrogen ratio (C/N), reactor temperature (T), and retention time (RT). The purpose of this study was to obtain a new model for predicting biogas production. Spent Mushroom Compost (SMC) was used to produce biogas in a batch type reactor. The experiments were carried out with different C/N ratios (12.1, 20, 30 and 40) and in both mesophilic (35°C) and thermophilic (55°C) temperatures. The results showed that the Maximum biogas production at 35°C, C/N=20 was equal to 41.9 mL/gVS and 55°C, C/N=30 was equal to 51.6 mL/gVS. By using experimental data, a new kinetic model was proposed to predict biogas production. Comparing the values of the results indicate that the total values of RMSE for Logistics, Gampartz and new kinetic models was 0.1906, 0.1830 and 0.1617, respectively. Therefore, the process of anaerobic digestion of biomass can be assumed to be just a chemical reaction, and the new kinetic model is an appropriate alternative to microbial growth models.

Mammalian cells maintain the complex glycerophospholipid (GPL) class compositions of their various membranes within close limits because this is essential to their well-being or viability. Surprisingly, however it is still not understood how those compositions are maintained except that GPL synthesis and degradation closely coordinated. Here, we hypothesize that abrupt changes in the chemical activity of the individual GPL classes coordinate the synthesis and degradation, as well other homeostatic processes. A previously proposed model proposed that in cellular membranes only a limited number of “allowed” or optimal GPL glass compositions exist because they are energetically more favorable than the other compositions, i.e. they represent local free energy minima (Somerharju et al. 2009). This model, however, could not satisfactorily explain how the optimal compositions are sensed by the key homeostatic enzymes i.e., the rate-limiting synthetizing enzymes and the degrading enzymes (i.e., homeostatic phospholipases). We now propose that when the mole fraction of a GPL class exceeds an optimal one, its chemical activity abruptly increases, which (i) increases its propensity to efflux from the membrane thus making it susceptible for hydrolysis by homeostatic phospholipases, (ii) increases its potency to inhibit its own biosynthesis via a feedback mechanism, (iii) enhances its conversion to another GPL class via a novel process termed “head group remodeling” or (iv) enhances its translocation to other subcellular membranes. Accordingly, abrupt changes in the chemical activity of the individual GPL classes is proposed to regulate and coordinate those four processes maintaining GPL class homeostasis in mammalian cells.

Detection of formaldehyde is very important in terms of life protection, as it can cause serious injury to eyes, skin, mouth and gastrointestinal function if indirectly inhaled and hence researchers are putting effort in developing novel and sensitive device. In this work, we have fabricated an electro-chemical sensor in the form of a field effect transistor (FET) to detect formaldehyde over wide range (10 nM to 1 mM). For this, ZnO nanosheets (NS) were first synthesized by hydrothermal method with in-situ deposition on cleaned SiO₂ coated Si (100) substrate. The synthesized materials were characterized for morphology and purity and surface area (31.718 m²/g). The developed device was tested for formaldehyde detection at room temperature that resulted in a linear response with concentration (96%), sensitivity value of 0.27 mA/M/cm² and a low detection limit of 210 nM, and a high 0.93194 return.

Even if silicon alkoxides (especially ethylsilicates) have long been used as consolidants of weathered stone monuments, their physical properties are not ideal. In this study, an innovative procedure for the consolidation of sedimentary rocks was developed that combines the use of organometallic and alkylamine catalysts with the addition of well-defined nanoparticles exhibiting a narrow size distribution centered at ca 10 nm. As a suitable test material, the Pietra di Lecce limestone was selected because of its color and problematic physico-chemical properties, such as rather low hardness. Using the developed procedure, the mechanical and surface properties of the limestone were improved without the unwanted over-consolidation of the surface layers of the stone, and any significant deterioration in the pore size distribution, water vapor permeability or the stone’s appearance. The developed modified ethylsilicates penetrated deeper into the pore structure of the stone than the unmodified ones and increased the hardness of the treated material. The formed xerogels within the stone pores did not crack. Importantly, they did not significantly alter the natural characteristics of the stone.

The high hydrophobicity of fullerenes and the resulting formation of aggregates in aqueous solutions hamper the possibility of their exploitation in many technological applications. Noncovalent bioconjugation of fullerenes with proteins is an emerging approach for their dispersion in aqueous media. Contrary to covalent functionalization, bioconjugation preserves the physicochemical properties of the carbon nanostructure. The unique photophysical and photochemical properties of fullerenes are then fully accessible for applications in nanomedicine, sensoristic, biocatalysis and materials science fields. However, proteins are not universal carriers. Their stability depends on the biological conditions for which they have evolved. Here we present two model systems based on pepsin and trypsin. These proteins have opposite net charge at physiological pH. They recognize and disperse C₆₀ in water. UV-Vis spectroscopy, zeta-potential and atomic force microscopy analysis demonstrates that the hybrids are well dispersed and stable in a wide range of pH’s and ionic strengths. A previously validated modelling approach identifies the protein-binding pocket involved in the interaction with C₆₀. Computational predictions, combined with experimental investigations, provide powerful tools to design tailor-made C₆₀@proteins bioconjugates for specific applications.

Groundwater is an important role of the environment in natural resources. The major sources of groundwater contamination in this study were open discharges of domestic sewage, inadequate sewerage system, open defecation, septic tanks, soak pits, contaminated water pools, unorganized solid waste dumping and use of fertilizers, pesticides for agriculture deteriorated the condition. In this present study revealed that the physical and chemical characteristics of ground water in different areas of Kannur district in Kerala have been determined different seasons with respect to its suitability for drinking and agricultural purposes. For this study the groundwater samples were collected during pre-monsoon and post-monsoon seasons from 70 wells representing the entire the study area. The groundwater samples were analyzed for Physico-chemical characteristics using standard techniques in laboratory and compared with standards. The samples were analyzed with reference to the WHO and BIS standards. The groundwater quality information of the entire study area have been prepared using statistical and GIS technique for all the parameters. This paper proved in GIS will be helpful for measuring, monitoring and managing the groundwater pollution in the study area and suggested to protect groundwater resources in the environment.

Development of load-bearing polymer composite constructions in civil engineering, such as industrial chimneys and gas ducts, requires filling some research gaps. These gaps are related to long-term behavior under mechanical and temperature loads, cyclic ones as well. Such conditions mean that viscoelasticity should be considered. First of all, viscoelastic parameters should be calculated, based on the used inner structure model. Then, due to the high working temperatures, thermal aging should be considered as well. This research is devoted to effects of thermal aging on viscoelastic behavior of polymers. Two sets of experiments were conducted: creep tensile tests and cyclic heating in constrained state. The Kelvin-Voigt viscoelasticity model was used to determine the rheological parameters of binder from experimental creep curves. Thermally-aged binder turned out to lose its viscous properties and became elastic. Cyclic heating was used to compare the behavior of normal and thermally-aged binder and to evaluate the possibility of temperature stress accumulation. Similar to creep tests, cyclic heating showed that aged binder lost viscosity and worked almost perfectly elastic. Non-aged binder was prone to stress accumulation much more. As a result, the rheological behavior of aged and non-aged binder was compared and showed a significant difference. In addition, the influence of temperature stress accumulation on stress—strain state was evaluated and turned out to be significant as well. The obtained results can be further used to predict the mechanical behavior of structures made of polymer composites operating for a long time at elevated temperatures, including those exceeding the glass transition temperature.

High-performance properties of interpenetration polymer network (IPN) hydrogels, based on physically crosslinked chitosan (CS) and chemically crosslinked poly(N-isopropylacrylamide) (PNiPAM), have been successfully developed. The IPN of CS/PNiPAM is proposed to overcome the limited mechanical properties of the single CS network. In this study, the viscoelastic behaviors of prepared materials in both solution and gel states have been extensively examined, considering the UV exposure time and crosslinker concentration as key factors. The effect of these factors on gel formation, hydrogel structures, thermal stabilities of networks, and HeLa cell adhesion were studied sequentially. The sol-gel transition was effectively demonstrated through the scaling law, which agrees well with Winter and Chambon's theory. By subjecting the CS hydrogel to the process operation in an ethanol solution, its properties can be significantly enhanced with increased crosslinker concentration, including the shear modulus, crosslinking degree, gel strength, and thermal stability in its swollen state. The IPN samples exhibit a smooth and dense surface with irregular pores, allowing for much water absorption. The HeLa cells were adhered to and killed using the CS surface cationic derivative, then released through hydrolysis by utilizing the hydrophilic/hydrophobic switchable property or thermo-reversible gelation of the PNiPAM network. The results demonstrated that IPN is a highly attractive candidate for anti-fouling materials.

Ni-Al alloys have good corrosion-resistant properties making them preferable as a material of choice compared to ordinary metals. A good understanding of the phase diagram and thermodynamic properties of the Ni-Al alloy binary system is essential in determining relevant industrial applications of the system. The Ni-Al phase diagram is being reassessed since those found in the literatures are based on very old experimental studies. The phase diagram and thermodynamic properties of the Ni-Al alloy is determined using the Thermo-Calc 2022b software over a temperature range of 200 K to 2000 K and 1 atm of pressure. A total of nineteen fields (including elemental Al and Ni) comprising of five single solid phases, one liquid phase, and twelve double regions was obtained from the equilibrium calculation. The thermodynamic calculation has six invariant reactions comprising of two eutectic reactions (914.83 ± 0.025 K and 1641.80 ± 0.025 K), three peritectic reactions (1123.55 ± 0.025 K, 1400.72 ± 0.025 K and 1642.65 ± 0.025 K), and one peritectoid reaction (913.96 ± 0.025 K). The solubility of Al in Ni is also determined. The Thermo-Calc temperature – composition of the Ni-Al alloy is compared with the existing experimental studies to identify the physical properties of the different thermodynamic properties of the Ni-Al alloy binary system.

Recently, Indium Tin Oxide, a highly transparent, well conductive, and CMOS-compatible material, has been paying strong attention to the thermo-optic controlled silicon photonics industry because it allows a miniature of the gap between the core silicon and the heater, thus enabling reducing the electric power consumption and enhancing the switching speed. In this article, we propose an ultralow loss and small-size ITO microheater for the phase shift tuning. The designated microheater is manipulated in realizing a numerical co-design of compact and high bandwidth three-mode converter and three-mode selective router. Simulation results illustrate the 3-dB bandwidth for the three-mode converter and three-mode selective router as much as 100-nm and 40-nm during crosstalk under -25 dB, respectively. Besides, co-designed devices attain relatively large fabrication tolerances corresponding to width and height tolerances of ±50 nm and ±5 nm. In addition, the proposed devices consumed less than 90 mW total power consumption and took a fast switching time below 8 μs. Moreover, both two co-designs can be integrated into an estimated compact footprint of 8 μm2160 μm. Such excellent performances demonstrate the attractive potential of ITO as low-loss thermo-optic phase shifters and open an alternative way for enabling ultrafast and high-speed mode division multiplexing systems and very large-scale photonic integrated circuits.

A formulation of nonequilibrium thermo field dynamics has been performed using the nonequilibrium statistical operator method by D.N. Zubarev. Generalized transfer equations for a consistent description of kinetics and hydrodynamics of the dense quantum-field system with strongly coupled states are derived.

With the COVID-19 pandemic behind us, the U.S. Food and Drug Administration (FDA) has approved 55 new drugs in 2023, a figure consistent with the number authorized in the last five years (53 per year on average). Thus, 2023 is the second-best FDA harvest after 2018 (59 approvals) in all the series. Monoclonal antibodies (mAbs) continue to be the class of drugs with most approvals, with an exceptional 12, a number that makes it the most outstanding year for this class. As in 2022, five proteins/enzymes have been approved in 2023. However, no antibody–drug conjugate (ADC) has been released onto the market. With respect to TIDES (peptides and oligonucleotides), 2023 has proved a spectacular year, with a total of nine approvals, corresponding to five peptides and four oligonucleotides. Natural products continue to be the best source of inspiration for drug development, with 10 new products on the market. Three drugs in this year’s harvest are pegylated, which may indicate the return of pegylation as a method to increase the half-lives of drugs, after the withdrawal of peginesatide from the market in 2013. Following the trends of recent years, two bispecific drugs have been authorized in 2023. As in preceding years, fluorine and/or N-aromatic heterocycles are present in most of the drugs. Herein, the 55 new drugs approved by the FDA in 2023 are analyzed exclusively on the basis of their chemical structure. They are classified as the following: biologics (antibodies, proteins/enzymes); TIDES (peptide and oligonucleotides); combined drugs; pegylated drugs; natural products; nitrogen aromatic heterocycles; fluorine-containing molecules; and other small molecules.

This paper examines whether classical extensional mereology is adequate for formalizing the whole-parts relation in quantum chemical systems. Although other philosophers have argued that classical extensional and summative mereology does not adequately formalize whole-parts relation within organic wholes and social wholes, such critiques often assume that summative mereology is appropriate for formalizing the whole-parts relation in inorganic wholes such as atoms and molecules. However, my discussion of atoms and molecules as they are conceptualized in quantum chemistry will establish that standard mereology cannot adequately fulfill this task, since the properties and behavior of such wholes are context-dependent and cannot simply be reduced to the summative properties of their parts. To the extent that philosophers of chemistry have called for the development of an alternative mereology for quantum chemical systems, this paper ends by proposing behavioral mereology as a promising step in that direction. According to behavioral mereology, considerations of what constitutes a part of a whole is dependent upon the observable behavior displayed by these entities. Thus, relationality and context-dependence are stipulated from the outset and this makes behavioral mereology particularly well-suited as a mereology of quantum chemical wholes. The question of which mereology is appropriate for formalizing the whole-parts relation in quantum chemical systems is relevant to contemporary philosophy of chemistry, since this issue is related to the more general question of the reducibility of chemical wholes to their parts and of the reducibility of chemistry to physics, which have been of central importance within the philosophy of chemistry for several decades. More generally, this paper puts contemporary discussions of mereology within the philosophy of chemistry into a broader historical and philosophical context. In doing so, this paper also bridges the gap between formal mereology, conceived as a branch of formal ontology, and ‘applied’ mereology, conceived as a branch of philosophy of science.

Keywords: Chemical Intolerance, Drug Intolerance, Food Intolerance, QEESI, BREESI, Multiple Chemical Sensitivity, Toxicant-induced Loss of Tolerance, Prevalence

Curcumin, a nontoxic and cheap natural medicine, has high therapeutic efficacy for many diseases including diabetes and cancers. Unfortunately, its exceedingly low water-solubility and rapid degradation in the body severely limit its bioavailability. In this work, we prepare a series of biocompatible poly(vinyl anisole)@nonlinear poly(ethylene glycol) (PVAS@PEG) core-shell nanogels with different PEG gel shell thickness to provide high water solubility, good stability, and controllable sustained release of curcumin. The PVAS nanogel core is designed to attract and store curcumin molecules for high drug loading capacity and the hydrophilic nonlinear PEG gel shell is designed to offer water dispersibility and thermo-responsive drug release. The obtained nanogels are monodispersed in spherical shape with clear core-shell morphology. The size and shell thickness of the nanogels can be easily controlled by changing the core-shell precursor feeding ratios. The optimized PVAS@PEG nanogels display a high curcumin loading capacity of 38.0 wt%. The nanogels can stabilize the curcumin from degradation at pH =7.4 and release the curcumin in response to heat in the physiologically important temperature range. The nanogels can enter cells effectively and exhibit negligible cytotoxicity to both the B16F10 and HL-7702 cells at a concentration up to 2.3 mg/mL. Such designed PVAS@PEG nanogels have a great potential to be used for delicate drug delivery.

Steam boiler has a significant role in the industrial sector. The failure in boiler tubes significantly reduces the availability of the plant. Furthermore, deposits on the inner tube wall contribute to such failure by changing the thermal resistance of the wall, which causes a significant increase in the tube wall's temperature and, consequently, lower allowable stress. The presented thermal-fluid model is developed for the water tube. The model is implemented using ANSYS FLUENT to estimate the wall maximum water tube wall temperature considering the deposits layer and then determine the minimum thickness of the tube wall via ASME standards to assure safe operation. The model is verified via a mesh independence test. The minimum tube thickness is recommended and justified given the thermo-mechanical performance of the water tubes at several operating loads of 50, 75, and 100 %. These loads are implemented by different convective heat transfer coefficients of flue gases under different deposit thicknesses, thermal conductivity, and flue gas temperature. The present work contributes to the literature by recommending the minimum thickness of the water wall tubes and highlighting the thermo-mechanical effect of the deposits on water tube resilience under different operating conditions.

Honey is a natural product that, thanks to its composition, particularly the high sugar content, is highly appreciated as an energy nourishment. In addition to sugars, it contains many other substances (carbohydrates, free amino acids, enzymatic proteins, organic acids, polyphenols) from which the therapeutic properties of honey arise: hydrating and osmotic activity, antimicrobial action, antioxidant and anti-inflammatory power. The present work aims to deepen the activity of skin protection exerted by honey, as a synergic result of its multiple therapeutic effects.Moreover, the study want to find possible correlations between biological properties and chemical-physical traits of honey. To carry out this research, five varieties of citrus honey, one of acacia honey, one of chestnut honey and, finally, one of multifloral honey were used. The honeys were first characterized by chemical-physical analysis (determination of water content, sugars, amino acids, polyphenols) and then subjected to qualitative melissopalynological analysis. Tests were also carried out to evaluate both their antioxidant power and the effect on collagenase, an enzyme involved in the degradation of collagen present in the extracellular matrix and, therefore, in the processes of skin aging. Finally, they were used in in vitro experiments to assess their action in stimulating cell viability and proliferation on human keratinocytes.

The objective of this study was to determine the chemical composition of sugarcane spirits and commercial cachaças, comparing them with the limits established by national legislation and with studies conducted in previous periods. Previous studies have shown that 50% of the samples of this distillate were above the contaminant limits allowed by national legislation, which was one of the main factors responsible for the low volume of exports. Volatile compounds and contaminants established by current Brazilian legislation were evaluated in 531 samples of commercial sugarcane brandy and cachaça. Among the samples analyzed, approximately 90% met the Brazilian standards of identity and quality. These results suggest that Brazilian producers have faced fewer difficulties related to the use of Good Manufacturing Practices, ensuring good quality during the production process and standardization of these beverages compared to previous studies.

The present study aimed to investigate the effect of solution of ethanol extractions of different microalgae species: Spirulina sp., Dunaliella sp. and Chlorella sp. on the accumulation of biologically active compounds in tomato fruits. Ethanol solution as well as treatment with drinking water were used as a control. Tomato cultivar ‘Belle’ F1 (Enza Zaden) was grown in 25 L pots, in peat substrate (pHKCl 5.5, producer Laflora LTd), polycarbonate greenhouse. Chemical composition – total carotenoids, lycopene and β-carotene content, total phenolics and anthocyanins, organic acids, vitamin C as well as dry matter, pH and soluble solids content – was determined in tomato fruits at the stage of full ripen. The influence of tested extracts on biologically active compounds on quality parameters of tomatoes was different, but no negative effect was observed. As only pH values as well as total phenol content and total soluble solids had statistically significant differences, results can be described with genetical stability of the cultivar.

This paper introduces an innovative approach that enables automated and precise prediction of the steel's chemical composition based on the desired Jominy curve. The microstructure, and in fact the presence of martensite, is decisive for the hardness of the steel, so the study considered the occurrence of this phase at particular distances from the quenched-end of the Jominy sample. Steels for quenching and tempering and case hardening were investigated. With representative collected dataset of hardness values from quenched-end of Jominy specimen, microstructure and chemical composition of steels, the complex regression model was made using supervised artificial neural networks. The balance between cost and required hardenability can be achieved through optimizing the chemical composition of steel. This model of designing steel with required hardenability can be of great benefit in the mechanical engineering and manufacturing industry. The model is verified experimentally.

In the Lemongrass (Cymbopogon citratus), the investigations showed a wide range of active molecules their biological properties. However, most of these studies were conducted on the wid varieties, while cultivated plan addressed. This study aimed to characterize the biomolecules and biological activities of Lemongrass growing us African conditions sons in in Marocco. Marocco. Phenolic compound profiles of aqueous (AE) E) ethanol ethanol (EE), (EE), and methanol (ME) extract: fractions were obtained with steric exclusion chromatography on Sephadex 050 gel and identified by LC-MS/MS polyphenols (TPC), flavonoids (TFC), and antioxidant activities (FRAP: scavenging value and TAC: Total Antioxidant C the fraction were evaluated as well as the antimicrobial activity Obtained results showed that the ME contained e compounds (ie. Apigenine-7-0-rutinoside and myricitine-3-0-rutinoside). The AE showed the presence of five mole kaemiferol-3-0-glucuronide), while EE showed the presence of three molecules (Le. Quercetine-3-0-rutinoside). Reg chemical characterization, the rization, e highest value of Total phenolic content (TPC) was obtained in conten btained in AE ΑΕ (25) (4.60-0.29 mg highest value of Total flavonoids content (TFC) was obtained Ined in ME (29) (0.7±0.08 mg/g). Concerning the antioxide the highest FRAP was obtained in ME (29) (97.89%) and the highest total antioxidant capacity (TAC) was obtained (89.89%) Correlation between FRAP, TPC, and TFC was noted poly in fractions of AE and ME. All tested extracts of and their fractions showed a significant antimicrobial effect. The lowest minimum inhibitory concentration (MIC) wa for ME against E. col. Extracts biological activities and their fractions were governed by their active molecules. Ther new and clarify a novel aspect of bioactive molecules in the extracts of cultivated C. citratus Equaly, throughout this we clarified the relationship between identified molecules and their biological properties including antioxidant and comparative studies new activities, which is new for the study area. This study is suggested to be a reference. assays of other biological activities for the study plant

Raman spectra of [TeX6](Y2) (X, Y - Cl, Br, I) were recorded in the temperature range 5-300 K. The vibration frequency of molecular halogens as function on temperature and the type of halogen X- in the [TeX6]2- complex was obtained. The vibration frequency of the molecular halogen Y2 depends on the type of halogen X- complex [TeX6]2- The temperature dependence of the Y2 frequency is anomalous compared to what was expected for a conventional anharmonic oscillator. It is shown that the interpretation of the experimental results based on the concept of traditional chemical bonding is quite satisfactory in all cases. The study was motivated by the need to consider the mechanism of interaction in the X-Y2 contacts.

Gadolinium-based contrast agents (GBCA) are complexes, highly stable in vivo, used in Magnetic Resonance Imaging (MRI), administered in patients and then eliminated via renal, passing through wastewater treatment plants (WWTP) before being discarded in the receiving medium, without apparent removal. In this study, it was studied if different exposure periods to several environmental parameters (solar radiation, different salinities, temperatures and pH) will influence the stability of these complexes, namely, the Gd-DOTA. Gd-DOTA solutions were processed in a seaFAST-pico saline matrix pre-concentration and elimination system and Gd concentrations were determined by ICP-MS. Results showed that the complex remained stable in fresh, brackish and saline water environments, even when exposed to extreme temperatures (40ºC) or slightly acidic to basic conditions (6-10), for an exposure period of 96h. A small increase in the free Gd concentration was observed after 18 days when exposed to pH&lt;4, in all tested salinities (0, 18 and 36 PSU), with a degradation increase of up to 29%, after 5 weeks of exposure in freshwater. When exposed to direct solar radiation a low Gd-DOTA degradation (4%) was observed after 24h at salinity 18 PSU and remained constant until the end of the exposure period (96h), while the remaining salinities showed negligible values.

Cocoa beans of the CCN-51 clone harvested in the Tumaco region (Nariño, Colombia) were fermented following four different treatments: (1) spontaneously (at room temperature for 120 h) in traditional conditions (Control); (2) traditional processing with a pre-drying (sun-dried for 24 h) treatment (PD); (3) with fermentation (for 120 h) after inoculation of a yeast starter culture (YS); and (4) including both treatments, pre-drying and yeast inoculation (PD+YS). Chemical composition, fatty acids, total polyphenol, methylxanthines (theobromine and caffeine) and lactic acid content of cocoa beans were determined. Chemical and fatty acid composition and theobromine content were not affected by the different fermentation treatment applied. When analysing total polyphenol content, YS and PD+YS treatments significantly increased the content of these compounds at the end of the fermentation process, while PD treatment decreased the caffeine content of cocoa beans. Finally, lactic acid content decreased as a consequence of both inoculation of yeast starter and mainly the pre-drying treatment. In conclusion, solar pre-drying in the open air and the inoculation of a yeast starter treatments could improve the final quality of coca beans.

Four decades have elapsed since the first quasiperiodic crystal was discovered in the Al-Mn alloy system, and many progresses have been made during this time interval in the science of quasicrystals (QCs). Notwithstanding this, a significant number of open questions still remain regarding both fundamental and technological aspects. For instance: What are QCs good for? How can we improve the current provisional QC definition? What is the role of the underlying quasiperiodic order and the characteristic inflation symmetry of these compounds in the emergence of their unusual physicochemical properties? or, What is the nature of chemical bonding in QCs formed in such different sorts of materials as alloys, oxides, or organic polymers? In this essay I will discuss these, and other closely related, issues from an interdisciplinary perspective and will comment on appealing prospectives in the field for the years to come.

Strontium (Sr) is a trace element in human body that able to promote bone formation and inhibit bone absorption. The conversion coating of strontium phosphate (Sr-P) on the surface of titanium (Ti) can improve its biological properties, and has a wide application prospect in the fields of dentistry and orthopedics. In this present study, Sr-P coatings with SrHPO4 and Sr3(PO4)2 crystals on Ti are prepared by phosphate chemical conversion (PCC) treatment. And the effect of pH on the properties of Sr-P coatings is researched. The results prove that phase composition, morphology and corrosion resistance of coated Ti are different with the pH values in PCC solution. The morphologies of conversion deposition on Ti change from plat-like to cluster-like, and then homogeneous microcrystals, as pH value changed from 2.50 to 3.25. Only discrete SrHPO4 crystals are generating on substrate at lower pH value, while relative stable Sr3(PO4)2 and SrHPO4 crystals are growing and subsequently forming an integrated coating on Ti as pH is higher than 2.50. The corrosion resistance of coated Ti improves comparing with that of bare Ti because of forming Sr-P coatings with Sr3(PO4)2 phase. In addition, it is indicated that the Sr-P coatings can improve the adhesion and differentiation of BMSCs.

Abstract: Chemical burns are one of the most dangerous and aggressive types of burns as they can cause significant tissue damage, leading to pain, inflammation, necrosis, and scarring. We present a burn case report associated with the use of Acellular Dermal Matrix (MatriDerm® MedSkin Solution Dr. Suwelack AG, Billerbeck, Germany) for the reconstruction of a Hallux after the patient was mistakenly administered intramuscular Nitric Acid at another institution. The patient presented with a third degree burn that compromised the medial aspect of the hallux’s skin, the distal phalanx and nail bed. Early debridement was performed, and Negative Pressure Wound Therapy (NPWT VAC, 3M, US) was used to preserve and promote tissue viability. Eight days later, the patient was taken to the OR, and Acellular Dermal Matrix and split-thickness skin graft were used to reconstruct her right hallux’s defect. The patient achieved adequate clinical evolution and was discharged with complete reconstruction of the burned area. Acellular Dermal Matrix proved to be an important and viable option for reconstructive surgery after a chemical burn, and further studies are warranted to ensure its routine usage in this kind of lesions. Keywords: chemical burn, acellular matrix, hallux reconstruction, NPWT

Man-made chemicals have played an important role in the development of our modern society. They have revolutionized such areas as healthcare and farming and they are essential in the manufacture of a wide range of consumer products. In studying the behavior of radionuclides and metals in the bottom sediment-water system, special attention is paid to identifying the forms of existence of pollutants in terms of substantiating their migration ability and, as a result, the po-tential for their subsequent spread, i.e. secondary pollution. On the example of bottom sediments of the Yenisei River, such radionuclides as K-40, Cs-137 are shown to be present mostly in the undecomposed residue. Eu-252 and Am-241 are associated with the organic component of bottom sediments, consisting of plant and animal remains, as well as soil washed away from the floodplain part of the river bed. The radionuclide Co-60, depending on the mineralogical composition of bottom sediments, can either be almost evenly distributed between the undecomposed residue and organic matter, or dominate in the undecomposed residue. Thus, it is shown that man-made ra-dionuclides can have a high tendency to migrate, both in the thickness of bottom sediments and between such phases as bottom sediments and water.

Cynomorium songaricum is an important endangered plant with significant medicinal and edible values. However, the lack of resources and quality variation have limited the comprehensive developments and sustainable utilization of C. songaricum. Here, we evaluated chemical and genetic traits of C. songaricum from the highly suitable habitat regions simulated with species distribution models. The PCA and NJ tree analyses displayed intraspecific variation in C. songaricum, that could be divided into two ecotypes: ecotype I and ecotype II. Furthermore, the LC-MS/MS-based metabolomic was used to identify and analyze the metabolites of two ecotypes. The results indicated that a total of 589 compounds were detected, 236 of which were significantly different between the two ecotypes. Specifically, the relative content and the kind of flavonoids were more abundant in ecotype I, which were closely associated with the medicinal activities. In contrast, amino acids and organic acids were more enriched in ecotype II, which may provide better nutritional quality and unique flavor. In summary, our findings demonstrate the ecotype division and chemical diversity of C. songaricum in China from different geographical regions and provide a reference for the development of germplasm and directed plant breeding of endangered medicinal plants.

A technology for obtaining nanosized aluminum nitride powder by plasma-chemical synthesis is presented. Nitrogen gas (N2), melamine (C3H6N6) and ammonia (NH3) were used as a source of nitrogen. Aluminum powder of different fractions was used as a source of aluminum. The influence of the nitrogen source, the height of the injector, and the input power of the plasma equipment on the synthesized aluminum nitride powder is shown. The resulting aluminum nitride powder has a size d90=60 nm. The parameters of aluminum nitride synthesis did not in any way affect the granulometric composition of the synthesized powder materials. It was found that, due to the high binding energy, the nitrogen molecule (N2) reacts poorly with aluminum powder particles, as a result a mixture of nitrogen and ammonia gases was used in a ratio of 70/30 (mol.%) for aluminum nitride synthesis.

Of the manifold concepts in drug discovery and design, covalent drugs have re-emerged as one of the most promising over the past 20-or so years. All such drugs harness the ability of a covalent bond to drive an interaction between a target biomolecule, typically a protein, and a small molecule. Formation of a covalent bond necessarily prolongs target engagement, opening avenues to targeting shallower binding sites, protein complexes, and other difficult to drug manifolds, amongst other virtues. This opinion piece discusses frameworks around which to develop covalent drugs. Our argument, based on results from our research program on natural electrophile signaling, is that targeting specific residues innately involved in native signaling programs are ideally poised to be targeted by covalent drugs. We outline ways to identify electrophile-sensing residues, and discuss how studying ramifications of innate signaling by endogenous molecules can provide a means to predict drug mechanism and function and assess on- versus off-target behaviors.

Mimosa bush (Vachellia farnesiana) is an invasive woody weed widely distributed in Australia. While it can be controlled using several mechanical and chemical techniques, this study evaluated a novel new herbicide delivery mechanism that minimizes the risk of spray drift and potential non-target damage. It was developed by Bioherbicides Australia and involves the implantation of encapsulated granular herbicides into the stem of intact plants or into the stump after cutting off plants close to ground level (cut stumped). Trials were implemented near Moree (NSW, Australia) on intact (two trials) plants and cut stumped (two trials) plants. For each trial, an untreated control plus the conventional basal bark application of a liquid formulation of triclopyr/picloram mixed with diesel was included for comparison. Encapsulated glyphosate, aminopyralid/metsulfuron-methyl, hexazinone and clopyralid were also tested in all trials. In addition, triclopyr/picloram, and metsulfuron-methyl were included in at least one of the whole plant trials. Aminopyralid/metsulfuron-methyl was consistently most effective at controlling intact plants, whilst aminopyralid/metsulfuron-methyl and clopyralid provided highest mortality when applied to cut stumps of mimosa bush. Overall, highest efficacy was achieved on single stemmed plants, but with some further refinement of the technique it should be possible to achieve similar results for multi-stemmed species.

This investigation was conducted to determine the chemical composition and nutritional value of five plant species commonly used as ruminant feeds namely: Artemisia herba-alba, Acer monspessulanum, Amygdalus lycoides, Amygdalus scoparia, and Atriplex leucoclada. After the collecting samples, the chemical compositions of plants included dry matter (DM), organic matter (OM), crude protein (CP), ether extract (EE), ash (CA), cell wall (NDF), and non-lignin cell wall (ADF) were determined according to standard methods. For degradation testing, the nylon bag technique was applied using three native Sistani fistula calves. Organic matter digestibility (OMD) and metabolisable energy (ME) were determined through the gas production technique. The CP value ranged from 5.30 (Amygdalus scoparia) to 11.72% (Atriplex leucoclada) while NDF value ranged from 52.62 (Amygdalus lycoides) to 69.05% (Amygdalus scoparia). The range of OMD, DOMD, and ME was from 36.67 to 53.27%, 34.67 to 49.11%, and 5.57 to 8.08 (MJ/kg), respectively. The results showed a positive correlation between cell wall composition and dry matter digestibility in plant species. The nutritional value of Amygdalus lycoides, Atriplex leucoclada, Acer monspessulanum, and Artemisia herba-alba was acceptable composition and digestibility.

According to the French Agency for Food, Environmental and Occupational Health & Safety, electromagnetic hypersensitivity affects more than 3 million people in France, and headaches are a very frequent cause of complaint in electrohypersensitive patients, to the point of dominating the clinical picture. These headaches share characteristics with migraine pathology, and clinical improvement with anti-migraine therapy has led us to consider that the headache in the electrohypersensitive patient may be a variant of the migraine disease mediated by the TRPA1 receptor, which if confirmed, would offer effective therapeutic possibilities to relieve the electrohypersensitive patient.

We have conducted a comprehensive year-long sampling campaign for particulate matter (PM) pollutants at a site near a major highway, following standard protocols. Total mass, and elemental and chemical composition of the fine fractions (PM2.5) of traffic-related pollutants are determined utilizing several complementary techniques. These complementary techniques included gravimetric analysis, X-ray fluorescence (XRF), scanning electron microscopy and energy dispersive spectroscopy, X-ray diffraction (XRD) and black carbon multi-wavelength absorption. The results show that the PM2.5 mass concentrations are within or slightly above international standards and include natural dust and anthropogenic pollutants such as black carbon, sulfates and other traffic-related elements. Anthropogenic sources include the secondary pollutants Mascagnite and Koktaite, traffic emissions such as exhaust emissions and tires, brakes and road erosions. It was found that the sulfates are the highest contributors to PM2.5 (~40%), as evident from XRD results and the S content in the XRF analysis.

The purpose of this study was to recommend to the government about the appropriate land use based on geoelectric and hydrochemical works. The results were supposed to be used as models for effective land use. During the study, a groundwater survey using a geoelectrical method was conducted and was used to map an aquifer flow. In general, Solok groundwater mapping was meant to provide information necessary to optimize follow-up activities for the use of clean water. It was also intended to minimize the negative impacts of exploitation and utilization of groundwater. This research aimed to provide information on groundwater conditions in Solok. It focused on the survey of groundwater sources, the inversion of measurement data on Sclumberger electrode configuration geoelectric in thirteen districts, and chemical analysis of pH, Fe, Nitrite, and DHL. The results show there was a great potential for groundwater-unconfined aquifers.

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

The present study aims at deposition of zinc phosphate coatings with the incorporation of nano Titanium dioxide particles by chemical phosphating method. Zinc phosphate coatings were developed on low carbon steel by using nano TiO2 in the standard phosphating bath. The Coated low carbon steel samples were assessed for corrosion studies using electrochemical impedance spectroscopy and potentiodynamic polarisation techniques in 3.5% NaCl solution. Chemical composition of the coatings was analysed by energy dispersive X-ray spectroscopy (EDX). Significant variations in the coating weight, porosity and corrosion resistance were observed with the addition of nano TiO2 in the phosphating bath. Corrosion rate of nano TiO2 incorporated chemical phosphate coated samples was found to be 3.5 mpy which was 4 times less than the bare uncoated low carbon steel (~14 mpy). Electrochemical impedance spectroscopy studies revels in the reduction of porosity in nano TiO2 phosphate coated samples. It was found that nano TiO2 particles in the phosphating solution yielded phosphate coatings of higher coating weight, greater surface coverage and enhanced corrosion resistance than the normal zinc phosphate coatings (developed using normal phosphating bath).

The Polyurethane (PU) mixture is a high−performance engineering material with different dynamic properties compared to a hot−mixed asphalt mixture (HMA). This paper analyzed whether the Kramers−Kronig (K−K) relation and thermo−rheological simple properties were applicable to the PU mixture. Based on the result discussion, the PU mixture exhibited thermo−rheological simple properties within the test conditions. The time−temperature superposition principle (TTSP) was applicable for the PU mixture to construct the dynamic modulus master curve using the standard logistic Sigmoidal (SLS) model, the generalized logistic sigmoidal (GLS) model, and the Havriliak−Negami (HN) model. The Hilbert integral transformed SLS and GLS models for the phase angle can accurately fit the measured phase angle data with newly fitted shift factors and predict the phase angle within the viscoelastic range. The Core−Core and black space diagrams both displayed single continuous smooth curves, which can be utilized to characterize the viscoelastic property of the PU mixture. The K−K relation is applicable for the PU mixture to obtain the phase angle master curve model, storage modulus, and loss modulus from the complex modulus test results. The phase angle of the PU mixture cannot be derived from the dynamic modulus data and currently needs to be derived from the laboratory measurement.

innate and adaptive immune responses lead to wound healing by regulating a complex series of events promoting cellular cross-talk. An inflammatory response is presented with its characteristic clinical symptoms: heat, pain, redness, and swelling. Some smart thermo-responsive polymers like chitosan can be used to create biocompatible and biodegradable scaffolds with 3D architectures similar to human structures, allowing their efficient and safe use as tissue engineering and drug delivery systems in chronic wounds. Locally heated tumors above polymer lower critical solution temperature can induce its conversion into a hydrophobic form, enhancing drug release until the thermal stimulus is gone, where a lower release is due to the swelling of the material. This paper integrates the relevant reported contributions of bioengineered scaffolds for thermo-responsive drug delivery in wound healing. Therefore, we present a comprehensive review that aims to demonstrate the capacity of these systems to provide spatially and temporally controlled release strategies for one or more drugs used in wound healing. In this sense, the novel manufacturing techniques of 3D-printing and electrospinning are explored for the tuning of their physicochemical properties to adjust therapies according to the patient’s convenience, as well as reduce drug toxicity and side effects.

Arbutus unedo (strawberry tree) is a small Mediterranean tree capable of vigorous regrowth after disturbances like fire. Traditionally used for biomass fuel, its bark and branches hold potential for higher-value products through ecovalorisation into liquid mixtures that could replace petro-leum-based materials. This study aimed to explore the chemical composition of various compo-nents of Arbutus unedo and to produce a liquefied material from its internal (IB) and external bark (EB). Chemical compositions of internal and external bark were determined using TAPPI standards including ash, extractive content, lignin, and cellulose. Metal cations were analyzed by ICP. Liquefaction of bark was optimized in a PARR reactor, evaluating factors such as particle size, temperature, and time and the best polyols were monitored by FTIR-ATR. Polyurethane foams were made with internal and external bark liquefied materials by polymerization with isocyanate, a catalyst and water as blowing agent. Results showed that EB has a higher extractive and lignin content, while IB contains more cellu-lose. Liquefaction yields were higher for IB (74%) than EB (68%), with IB yielding polyols that produced stronger and more resilient foams. Mechanical properties of the foams were influenced by the NCO/OH ratio and catalyst levels. Overall, the internal bark demonstrated superior performance for foam production, highlighting its potential as an eco-friendly alternative to petroleum-derived materials.

Euler's theorem about the relationship between the numbers of individual elements of planar graphs (vertices, edges, faces) is also satisfied when the graph has zero vertices. The problem of the existence or not of such graphs has so far been the subject of very few studies. Plus, research that didn't prove anything. The paper presents an interpretation of this kind of graphs as mathematical formations lying on piecewise smooth surfaces. The lines of intersection of two or more smooth surfaces (faces of a graph) form edges without a vertex of the graph. The elementary properties of such graphs are discussed, the method of counting non-isomorphic 0-vertex graphs and their importance in physics and chemistry are given.