Performing optimisation and scale-up studies of crystallisation systems requires accurate and computationally efficient mathematical models. The assumption of the ideal mixing conditions in batch reactors typically produce inaccurate results while the computational expense of CFD models is still prohibitively high. Therefore, in this work, a new intermediary approach is proposed that takes into account the non-ideal mixing conditions in the reactor and requires less computational resources than full CFD simulations. Starting with the Danckwerts concept of the intensity of segregation, an analogy between its application to chemical reactions and the kinetics of the crystallisation phenomena (such as nucleation and growth) has been made. As a result, the modified kinetics expressions have been derived which incorporate the effect of non-idealities present in stirred reactors. This way, based on the experimental measurements of the mixing time using the Laser Induced Fluorescence (LIF) technique, computationally more efficient mathematical models can be developed in two ways: (1) the accurate semi-empirical correlations are available for standard mixing configurations with the most often used types of impellers, (2) CFD simulations can be utilised for estimation of the mixing time; in this case it is necessary to simulate only the mixing process. The benefits offered by the LIF experimental technique have been demonstrated and some frequent problems in its application analysed. The mixing time results for configurations with and without baffles for three types of impellers and four different rotational speeds have been presented. The false shorter mixing times in the non-baffled configurations have been observed and this phenomena explained by the existence of two segregated zones in the reactor and confirmed by additional experiments. The precise measurements in these cases have been shown as difficult using the LIF technique, particularly for higher rpms. The experimental data has been compared to the preliminary simulation results obtained from the Smoothed Particle Hydrodynamics method and the standard k-ε turbulence model with the modest success. The shortcomings of the SPH model have been recognized and the directions for the future work discussed.

The second article in the series presents the application of the Smoothed Particle Hydrodynamics (SPH) method to modelling of batch crystallisation in stirred tanks. A methodology to integrate the population balance equations (PBE) in parallel and independently from the Navier-Stokes equations is demonstrated. The benefits of the proposed methodology in terms of computational requirements, accuracy and availability of the crystal size distribution are discussed. The specific formulation of the SPH equations where the resulting system of ordinary differential equations is solved using the weighted contributions rather than numerically by solving a linear system of equations allows for massive parallelisation and a very loose coupling of the population balance and the fluid dynamics. It has been demonstrated, that the population balance equations can be solved on a Shared Memory Architecture (SMA) system using the OpenMP interface while the fluid dynamics equations being computed independently on a General Purpose Graphics Processing Unit (GPGPU) using the NVidia CUDA technology. This way, a significant portion of the computational overhead due to the large number of additional transport equations resulting from the discretisation of the population balance was removed: the SPH simulation coupled with 200 population balance equations was only 40% slower compared to SPH-only simulation. Two methods for the solution of population balance equations that preserve full crystal size distribution were implemented: discretised population balance (DPB) and method of characteristics (MOCH). The DPB equations are solved using the high-resolution finite-volume method with flux limiter and the effect of a large number of different flux limiters have been investigated. Both methods were validated using the case studies from the literature where an analytical solution can be derived. The developed models were applied to a numerical solution of coupled computational fluid dynamics and population balance equations to model a batch crystallization process. The effect of the hydrodynamics on the local temperature/supersaturation and the resulting crystal size distribution was captured and compared to the ideal mixing case. The simulation results from the DPB and MOCH methods were compared in terms of computational requirements and accuracy and MOCH selected as computationally more efficient and accurate.

A convenient and efficient strategy for the preparation of 2-sulfonylindoles has been achieved through iodophor/H2O2-mediated 2-sulfonylation of indoles with readily available sulfonyl hydrazides in aqueous phase. Iodophor is commercially available and serves as the green catalyst and aqueous phase. A series of 2-sulfonylated products from indoles and N-methylpyrrole were synthesized in moderate yields in only 10 min. Control experiments were also conducted to reveal the mechanism. This method is environment friendly, easy to operate and suitable for a wide range of substrates.

Several series of new polymers were synthesized: binary copolyesters of vanillic (VA) and hydroxybiphenylcarboxylic (HBCA) acids, as well as ternary copolyesters additionally containing hydroxybenzoic acid (HBA) and obtained via three different ways (in solution, in melt and in solid state). The high values of logarithmic intrinsic viscosities and insolubility of several samples proved its high molecular weights. It has been shown that the use of vanillic acid leads to the production of copolyesters with a relatively high glass transition temperature (about 130°C). Thermogravimetric analysis revealed onset of weight loss temperatures of ternary copolyesters occurred at 330-350 °C, the temperature of 5% mass loss is in the range of 390-410 °C. Two-stage thermal destruction is observed for all aromatic copolyester of vanillic acid: decomposition begins with VA units at 420-480 °C, and then decomposition of more heat-resistant units demonstrated above 520 °C. The copolyesters are thermotropic and exhibit a typical nematic type of liquid crystalline order. Mechanical characteristics of copolyesters are close to those for semi-aromatic copolyesters, but are much lower than typical values for fully aromatic thermotropic polymers. Thus, vanillic acid is a mesogenic monomer suitable for the synthesis of thermotropic fully aromatic and semi-aromatic copolyester, but resulting processing temperature must not exceed 280°C.

Synthesis of nickel oxide nanoparticles (NiO NPs) is a low cost and ecofriendly route that brings great benefits over chemical and physical methods of synthesis. Our approach consisted of using aqueous extracts from treated waste of Manihot Esculenta (Cassava) as reducing, stabilizing and capping agents for the synthesis of NiO NPs. The results proved this approach might be a viable alternative. Extracts were mixed during 30 minutes with Ni(NO3)2.6H2O leading to NPs formation. NiO NPs were characterized through FTIR, XRD, TEM and Raman spectroscopy. NiO NPs showed different shapes and sizes around 5-10 nm in agreement with the particle size calculated by XRD Scherrer equation.

The açaí (Euterpe oleracea Mart.) is a native fruit of the Amazon that is well-known due to its commercial value. Its production chain is centered in the state of Pará, largely supplied by extractivism. The processing of açaí fruits in nature generates huge amount of solid waste, which can pose serious risks to the environment if not used and managed properly. Due to a small number of systhematic studies on the effect of chemical activation by pyrolysis of açaí seeds and fibers, and with the aim of providing a basis for future applications of the waste generated by processing of açaí fruits, the present work proposes a study of the pyrolysis of açaí seeds and fibers and the physicochemical and compositional characterization of the aqueous phase products. In this way, açaí seeds were collected from a local artisan processing facility in the city of Belém, PA. The seeds were dried at 105°C until constant weight, and subsequently, the fibers were separated from the seeds in a rotating drum. The seeds and fibers were impregnated with NaOH solutions at 0.5M, 1.0M, and 2.0M, and then pyrolyzed at a laboratory scale at 450 °C and 1 atm. The liquid products from pyrolysis were characterized through acidity index analysis, Fourier-transform infrared spectroscopy, and gas chromatography. The increase in the concentration of the impregnating agent resulted in an increase in bio-oil yield from both the seeds and fibers, rising from 3.3% (raw seeds) to 6.6% (seeds impregnated with 2M NaOH) and from 1.2% (raw fibers) to 3.7% (fibers impregnated with 2M NaOH). The yield in the aqueous phase after biomass pyrolysis showed an inverse behavior to the bio-oil yield, decreasing from 33.7% (raw fibers) to 21.2% (fibers impregnated with 2M NaOH) and from 41% (raw seeds) to 37.5% (seeds impregnated with 2.0M NaOH). High acidity levels were found in the aqueous phase samples and bio-oils derived from the seeds and fibers, which decreased as the concentration of the impregnating agent increased. The increase in the concentration of the impregnating agent (NaOH) influenced the chemical composition of the obtained liquid products, leading to a decrease in oxygenated compounds and an increase in nitrogenous compounds in both experimental matrices, which was also evidenced by the reduction in acidity.

Many natural signals exhibit a quasi-periodic behavior and are conveniently modeled as a combination of several harmonic sinusoids whose relative frequencies, magnitudes and phases vary with time. The waveform shape of those signals reflects important physical phenomena underlying their generation, which requires that those parameters be accurately estimated and modeled. In the literature, accurate phase estimation and modeling has received much less research effort than frequency estimation, or magnitude estimation. First, this paper addresses accurate DFT-based phase estimation of individual sinusoids in six scenarios involving two DFT-based filter banks and three different windows. It is shown that bias in phase estimation is less than 1E-3 radians when the SNR is equal to or larger than 2.5 dB. Taking as a reference the Cramér-Rao Lower Bound, it is shown that one particular window offers a performance of practical interest by approximating better the CRLB when signal conditions are favorable, and by minimizing the performance deviation when signal conditions are adverse. Second, this paper explains how a shift-invariant phase-related feature can be devised that characterizes harmonic phase structure, which motivates a signal processing paradigm that greatly simplifies parametric modeling, transformation and synthesis of harmonics signals, in addition to facilitating the understanding and reverse engineering of the phasegram. Theory and results are discussed in a reproducible perspective using dedicated experiments that are supported with code allowing not only to replicate figures and results in this paper, but also to expand research.

The one pot hydrogenolysis/hydrogenation reaction of maltose to 2 moles of sorbitol has been carried out over different supported Cu catalysts in water at 180°C and 40 bar of H2. Only the catalysts supported on silicas were found to be effective in this reaction giving up to 86% yield in the desired product while the bare supports and the catalysts supported on alumina or silica alumina gave messy reactions. The peculiar activity of the two Cu/Silica systems tested was ascribed to high metal dispersion and suitable polarity of the catalyst surface. The reduced catalyst, exposing metallic Cu particles on the surface, showed unusual stability in the presence of water as a solvent and could be reused several times without any treatment.

This paper describes the influence of the regeneration treatments on 4-chloro-2-methyl-phenoxyacetic acid (MCPA)-loaded activated carbons (ACs) on adsorption-desorption cycles with two commercial ACs, Merck and Norit 1240 X ( Norit 1240 X was used in a granular and powder form). The ACs were saturated with MCPA and then submitted to four regeneration cycles, by washing with ethanol, NaOH solutions and washed with NaOH solutions followed by a thermal treatment. The ACs regenerated with ethanol showed a better performance concerning the successive adsorption-desorption cycles. On the first cycle, the MCPA desorbed, from washing with ethanol, from all ACs was higher than 99%. After a fourth adsorption-desorption cycle, washing regeneration combined with thermal treatment allowed excellent regeneration results. The amount of MCPA adsorbed on Norit 1240 X AC was higher than the amount adsorbed in the first cycle. MCPA adsorption kinetic data were analyzed by applying pseudo-first-order, pseudo-second-order, and Weber-Morris models. The pseudo-second-order fit better fit to the data and the Weber-Morris representation allows confirming that on Norit 1240 X, in a granular form, the pore diffusion was the limiting factor concerning the MCPA adsorption.

Zinc oxide (ZnO) nanostructures have been studied extensively in the past years due to the novel electronic, photonic, mechanical and electrochemical properties. Recently, more attention has been paid to assemble nanoscale building blocks into three dimensional (3D) complex hierarchical structures, which not only inherit the excellent properties of the single building blocks but also provide potential applications in the bottom-up fabrication of functional devices. This review article focuses on 3D ZnO hierarchical nanostructures, and summarizes major advances in the solution phase synthesis, applications in environment, and electrical/electrochemical devices. We present the principles and growth mechanisms of ZnO nanostructures via different solution methods, with an emphasis on rational control of the morphology and assembly. We then discuss the applications of 3D ZnO hierarchical nanostructures in photocatalysis, field emission, electrochemical sensor, and lithium ion batteries. Throughout the discussion, the relationship between the device performance and the microstructures of 3D ZnO hierarchical nanostructures will be highlighted. This review concludes with a personal perspective on the current challenges and future researches.

The research community has shown significant interest in the aqueous synthesis of nanomaterials due to its ability to eliminate the need for complex organic solvents. This synthesis approach aligns with the principles of green chemistry, attracting considerable attention. Aqueous solution technology in fabricating nanostructures has gained recognition for its potential to create ultrasensitive, low-energy, and ultrafast optoelectronic devices. This report focuses on synthesizing lead iodide (PbI2) nanoplates using a water-based solution technique and fabricating a planar photodetector. The photodetectors with a planar type of device structure (ITO/PbI2 NPs/Au) demonstrated a remarkable photosensitivity of 3.9×103 and a photoresponsivity of 0.51 mA/W at a wavelength of 405 nm. Notably, the asymmetrical output properties of ITO/PbI2 NPs/Au detector deliver additional evidence of the effective creation of a Schottky contact. Thus, the photodetector exhibited a photoresponse even at 0 V bias, leading to the realization of self-powered photodetectors. Additionally, the device exhibited a rapid photoresponse of 0.21/0.38 s (−5 V) in the visible range. This study has expanded the horizons for the aqueous-phase synthesis of nanoplate nanostructures, enabling the large-area fabrication of high-performance photodetectors.

This review considers the generation of relatively simple biomolecules, e.g., primary amino acids, resulting from the rapid collapse of bubbles in aqueous solutions containing various, low molar mass, gases. Some of the possible primary reactions occurring to produce the biomolecules are introduced and discussed. A brief discussion is included on the possible involvement of hydrodynamic cavitation, at the primordial seashore, as the initiating processes for the formation of the first organic molecules on prebiotic earth and the origins of life on Earth some 4 billion years ago.

Phytochemicals have a long and successful history in drug discovery. With recent advancements in analytical techniques and methodologies, discovering bioactive leads from natural compounds has become easier. Computational techniques like molecular docking, QSAR modelling and machine learning, and network pharmacology are among the most promising new tools that allow researchers to make predictions concerning natural products' potential targets, thereby guiding experimental validation efforts. Additionally, approaches like LC-MS or LC-NMR speed up compound identification by streamlining analytical processes. Integrating structural and computational biology aids in lead identification, thus providing invaluable information to understand how phytochemicals interact with potential targets in the body. Emerging computational approach is machine learning involving QSAR modelling and deep neural networks that interrelate phytochemical properties with diverse physiological activities such as antimicrobial or anticancer effects.

PURPOSE: To investigate the oxylipin profiles in aqueous humor of primary open angle glaucoma (POAG) patients. METHODS: Aqueous humor samples were collected from 17 POAG patients and 15 cataract subjects and subjected to the liquid chromatography-mass spectrometry (LC-MS) analysis to detect the oxylipins. The prediction potential of the differential abundant oxylipins was assessed by the receiver operating characteristic (ROC) curves. Pathway and correlation analyses on the oxylipins and clinical and biochemical parameters were also conducted. RESULTS: The LC-MS analysis detected a total of 76 oxylipins, of which 29 oxylipins reached the detection limit. The multivariate analysis identified 5 differential abundant oxylipins, 15-keto-prostaglandin F2 alpha (15-kPGF2α), Leukotriene B4 (LTB4), 12,13-Epoxyoctadecenoic acid (12,13-Epome), 15-Hydroxyeicosatetraenoic acid (15-HETE) and 11-Hydroxyeicosatetraenoic acid (11-HETE). The 5 oxylipins are enriched in the arachidonic acid metabolism and linoleic acid metabolism pathways. Pearson correlation analysis showed that 11-HETE was positively correlated with intraocular pressure and central corneal thickness and negatively with cup/disk ratio in the POAG patients. In addition, 15-kPGF2α was positively correlated with visual field defect, and LTB4 was negatively correlated with macular thickness.  CONCLUSIONS: This study revealed the oxylipin profile in the aqueous humor of POAG patients. Oxylipins involved in arachidonic acid metabolism pathway could play a role in POAG and anti-inflammatory therapies could be potential treatment strategies for POAG.

Indonesia is one of the largest banana producing countries in the world remaining abundance solid waste of banana fruit bunch. The banana fruit bunch contains high natural fibers which were obtained by an impregnation process using potassium hydroxide (KOH) and followed by a carbonization process under steam at 250°C for 5 h. The nanomaterial of TiO₂/fibre was prepared by a hydrothermal process at 200°C for 4 h. Surface morphology proved that the TiO₂ was loaded into the fibre by an increasing roughness of the surface and irregular size of porosity. The development of amorphous to crystalline phase of TiO₂/fibre was clearly observed. The effectiveness of TiO₂/fibre for removal of rhodamine B was investigated from different parameters of adsorptions in aqueous solution. The equilibrium adsorptions show that the Langmuir and Freundlich isotherm exhibited the best correlation coefficient (R² > 0.94) relating to the chemisorption and physisorption interaction in the adsorption process. Kinetic models were well described by the pseudo-first and second-order with the best correlation coefficient (R² > 0.99). These results indicate that nanomaterial TiO₂/fibre can be used as an effective adsorbent for removal of rhodamine B in aqueous solution.

The present investigation highlights the synthesis of polyaniline (PANI) coated graphene oxide doped with SrTiO3 nanocube nanocomposites through facile in-situ oxidative polymerization method for the efficient removal of carcinogenic dyes, namely, the cationic dye methylene blue (MB) and the anionic dye methyl orange (MO). The synthesised nanocomposites were characterised by field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA), X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FTIR). The adsorption efficiencies of graphene oxide (GO), PANI homopolymer and SrTiO3 nanocubes-doped nanocomposites were assessed by monitoring the adsorption of methylene blue and methyl orange dyes from aqueous solution. The adsorption efficiency of nanocomposites doped with SrTiO3 nanocubes were found to be of higher magnitude as compared with undoped nanocomposite. Moreover, the nanocomposite with 2 wt% SrTiO3 with respect to graphene oxide demonstrated excellent adsorption behaviour with 99% and 91% removal of MB and MO respectively, in a very short duration of time.

The theory and working principle of fabric phase sorptive extraction (FPSE) is presented that eloquently explains the mystery behind this new and powerful sample preparation technique. FPSE innovatively integrates the benefits of sol-gel coating technology and the rich surface chemistry of cellulose/polyester/fiberglass fabric, resulting in a microextraction device with very high sorbent loading in the form of an ultra-thin coating. This porous sorbent coating and the permeable substrate synergistically facilitate very fast extraction equilibrium. The flexibility of the FPSE device allows for direct insertion into original, unmodified samples of different origin. Strong chemical bonding between the sol-gel sorbent and the fabric substrate permits the exposure of FPSE devices to any organic solvent for analyte back-extraction/elution and to highly acidic or basic environments (pH 1-12) if required. A sol-gel derived sorbent, highly polar sol-gel poly(ethylene glycol) coating, was generated on cellulose substrates. Five cm2 segments of these coated fabrics were used as the FPSE devices for sample preparation using direct immersion. An important class of environmental pollutants, substituted phenols, was used as model compounds to evaluate the extraction performance of FPSE. The high primary contact surface area (PCSA) of the FPSE device and porous structure of the sol-gel coatings resulted in very high sample capacities and incredible extraction sensitivities for both the compound classes in a relatively short period of time. Different extraction parameters were evaluated and optimized. The new extraction devices demonstrated part per trillion level detection limits for substituted phenols, a wide range of detection linearity, and good performance reproducibility.

Retinoblastoma (Rb) is a rare cancer that nonetheless represents the most common ocular malignancy in children. Rb exists as familiar and sporadic cancer and the increasing incidence of the sporadic one and its pathogenesis is mostly unknown. To date the management of retinoblastoma requires intensive chemotherapy and sometimes invasive surgery in order to preserve vision and quality of life in Rb patients. The discovery of the epigenetic nature of non-hereditable/sporadic Rb led to the development of high-throughput precision investigation strategies for the study of its epigenetic landscape. Here we investigated the effect of the demethylating 5-Aza-2’- deoxycytidine (Decitabine; DAC) agent on preclinical models to assess its possible use as anti-cancer drug in the treatment of Rb patients. We found that DAC treatment induced cell cycle arrest and apoptosis in Weri-Rb-1 cells. We investigated the variation of differential gene expression profile in Rb cells in relation to time of exposure to DAC with respect to controls. Network map analysis evidences 15 hub/driver genes, which share pathways of regulation of TNF-, FAS-, p53-dependent apoptotic signaling and NF-kB pro-survival pathways. Furthermore, a computing expression profile analysis of publicly available datasets of patients’ primary tumors and normal retina cell-derived organoids vs WeriWeri-Rb-1 DEGs depicted the relevancy of these 15 hub genes on retinoblastoma genesis. The antiproliferative effect of DAC treatment on Rb was confirmed in vivo, both in subcutaneous xenograft and orthotopic models also showing the changes the gene methylation status in treated Weri-Rb-1, shedding a new light on the reprogramming antiproliferative dynamics induced by the epigenetic therapy and on the role of this therapeutic approach to spare children sight and life.

Until now, crystalline NiCo2S4 and its composites have demonstrated improve performances in supercapacitor applications, compared to their oxide analogous, due to their relatively higher electrical conductivity, and multifaceted redox reaction. However, amorphous phase materials have recently shown promise in electrochemical energy storage systems. In this work, urea-assisted amorphous NiCo2S4 on nickel foam (referred to as aNCS) with high nitrogen atom% content, was obtained via hydrothermal method. In comparison to the crystalline NiCo2S4 (referred to as cNCS), aNCS exhibited superior electrochemical performance with specific capacitance of ~3506 F g-1 which is higher than cNCS specific capacitance of ~2185 F g-1 at 2 A g-1. Additionally, aNCS in two-electrode asymmetry supercapacitor exhibited specific capacitance and energy density of ~196 F g-1 and 56 Wh kg-1, respectively.

Red mud (RM) is composed of a waste alkaline solution (pH = 13.3) obtained from the production of alumina. It contains high concentrations of soluble hematite (Fe2O3), goetite (FeOOH), gibisite [Al(OH)3], a boemite (AlOOH), anatase (Tetragonal - TiO2), rutile (Ditetragonal dipyramidal - TiO2), hydrogarnets [Ca3Al2(SiO4)3−x(OH)4x], and perovskite (CaTiO3). It was shown to be an excellent catalytic mixture for biodiesel production. To demonstrate the value of RM, an environmentally friendly process of transesterification in aqueous medium using waste cooking oil (WCO), MeOH and waste alkaline solution (WAS) obtained from aluminum production was proposed. Triglycerides of WCO reacted with MeOH at 60 oC to yield mixtures of fatty acid methyl esters (FAMEs) in the presence of 0.019% (w/w) WAS/WCO using the WAS (0.204 mol L-1, predetermined by potentiometric titration) from aluminum production by the Bayer process. The use of the new catalyst (WAS) resulted in a high yield of the products (greater than 99% yield).

The frequency synthesizer is a critical component in Cs beam clock technology. In this paper, we present a demonstration of a direct microwave frequency-synthesis chain for a cesium-beam atomic clock, which utilizes frequency multiplication and a dual-phase-locked loop mode. A detailed analysis of the frequency-synthesis chain is conducted, and a mathematical model is established. The phase settling time and system stability are simulated, measured, and verified. The experimental results for the phase settling time align with the simulation outcomes. The phase settling time can be adjusted within the range of 644.5 µs to 1.5 ms, and the absolute phase noise values are -63.7 dBc/Hz, -75.7 dBc/Hz, -107.1 dBc/Hz, and -122.5 dBc/Hz at 1 Hz, 10 Hz, 1 kHz, and 10 kHz offset frequencies, respectively. Additionally, the Ramsey fringes are detected, and the Allan deviations of the 10 MHz output from the cesium-beam atomic clock are measured to be 2.99×10−12 at 1s and 8.02×10−14 at 10,000 s.

Aflatoxin B1 (AFB1) is a mycotoxin considered as a potent carcinogenic for humans that contaminates a wide range of crops. Various strategies have been established to reduce or block the synthesis of AFB1 in food and feeds. The use of aqueous extracts derived from plants with high antioxidant activity has been a subject of study in recent years due to their efficacy in inhibiting AFB1. In this study, we assessed the effect of Aloysia citrodora aqueous extract on Aspergillus flavus growth and on AFB1 production. A bio-guided fractionation followed by High Performance Liquid Chromatography (HPLC) and Mass spectrometry analysis of active fraction were applied to identify the candidate molecules responsible for the dose-effect inhibition of AFB1 synthesis. Our results revealed that polyphenols are the molecules implicated in AFB1 inhibition, achieving almost a total inhibition of the toxin production (99%). We identified luteoline 7- diglucuronide as one of the main constituents in A. citrodora extract, and demonstrated that it is able to inhibit, by itself, AFB1 production by 57%. This is the first study demonstrating the anti-Aflatoxin B1 effect of this molecule, while other polyphenols surely intervene in A. citrodora anti-AFB1 activity.

This study represents a significant stride in advancing furan chemistry, presenting the synthesis of high-molecular-weight polyfurfuryl alcohol (PFA) resin (Mw = 118,959 g/mol) from furfuryl alcohol (FA) using a co-catalytic system as against the conventional single-catalytic methods. The resulting PFA resin is fully characterised, and we conclude that it exhibits good shelf life and potential in diverse applications, serving as a standalone moulded material or contributing to composites, coatings, adhesives, and nanostructured carbons.

The development and improvement of methods for the synthesis of environmentally friendly catalysts based on base metals is currently an urgent and promising task of modern catalysis. Catalysts based on nanoscale magnetite and maghemite have fast adsorption-desorption kinetics and high chemical activity. The purpose of this work was to obtain magnetic composites, determine their physicochemical characteristics and verify their activity in the process of liquid-phase oxidation of phenol with oxygen. Magnetic nanocomposites were obtained by chemical co-deposition of salts of ferrous and trivalent iron. The synthesized magnetic composites were studied by X-ray diffractometry, energy dispersive X-ray fluorescence and Mössbauer spectroscopy, IR-Fourier spectroscopy, elemental analysis. To increase the catalytic activity in oxidative processes, the magnetite surfaces were modified using cobalt nitrate salt. Further, CoFe2O4 was stabilized by adding polyethylenimine (PEI) as a surfactant. Preliminary studies of the oxidation of phenol with oxygen, as the most typical environmental pollutant were carried out on the obtained Fe3O4, CuFe2O4, CoFe2O4/PEI catalysts. The spectrum of the reaction product shows the presence of CH in the aromatic ring and double C=C bonds, stretching vibrations of the C=O groups of carbonyl compounds; the band at 3059 cm–1 corresponds to the presence of double C=C bonds, the band at 3424 cm–1 hydroquinone compounds. The band at 1678 cm–1 and the intense band at 1646 cm–1 refer to vibrations of the С=О bonds of the carbonyl group of benzoquinone. Peaks at 1366 cm–1 and 1310 cm–1 can be related to the vibrations of C–H and C–C bonds of the quinone ring. Thus it was demonstrated that produced magnetic composites based on iron oxide are quite effective in the oxidation of phenol with oxygen.

Enteroviruses (EV) are important pathogens causing human disease with various clinical manifestations. To date, treatment of enteroviral infections is mainly supportive since no vaccination or antiviral drugs are approved for their prevention or treatment. Here, we describe the antiviral properties and mechanisms of action of leucoverdazyls - novel heterocyclic compounds with antioxidant potential. The lead compound, 1a, demonstrated low cytotoxicity along with high antioxidant and virus-inhibiting activity. A viral strain resistant to 1a was selected, and the development of resistance was shown to be accompanied by mutation of virus-specific non-structural protein 2C. This resistant virus had lower fitness when grown in cell culture. Taken together, our results demonstrate high antiviral potential of leucoverdazyls as novel inhibitors of enterovirus replication and support previous evidence of an important role of 2C proteins in EV replication.

Polymer inclusion membranes (PIMs), which contained cellulose tri-acetate used as a polymer base, a plasticizer in the form of o-NPOE, and meso-tetra methyl tetrakis-[methyl-2-(4-acetlphenoxy)] calix[4]pyrrole (KP) used as a carrier, were prepared and tested for the effective purification of aqueous solutions of methylene blue dye. The scanning electron microscope (SEM), thermogravimetric analysis (TGA), and attenuated total reflection Fourier transform infrared (ATR-FTIR) were used to define the microstructure and surface of PIMs. Experimental results showed that with the increased concentration of methylene blue in an aqueous solution, the removal percentage also increased. Further observation also showed that the flux increased with the rise of the source phase pH values from 3 to 10. The carrier and plasticizer content in the membrane significantly influenced the membrane’s transport properties. The optimal composition of the membrane in per cent by weight was for KP: 74% plasticizer; 18% support; 8% carrier. It was shown that the membrane with optimal composition showed good reusability and enabled the easy and spontaneous separation of methylene blue from aqueous solutions.

High temperature Ni-superalloys are limited by reliance on critical elements and complex processing steps. High entropy alloys (HEAs) have demonstrated stable single/dual phase microstructures with strong ordering tendencies. A dual phase (FCC+BCC) Al0.5Co0.5CrFeNi1.5Ti0.25 alloy (developed using CALPHAD) was tested for room and high temperature compression behavior. The microstructure mainly comprises of coarse ordered FCC(L12) surrounding decomposed lamellae of ordered FCC(L12) and BCC(L21) phases, which coarsened upon annealing at high temperature (1100 °C) into a bi-continuous structure of disordered FCC+BCC(B2). Additionally, cold rollability of the cast alloy increased from <5% to ~40% after annealing, with a corresponding softening observed in room temperature compression mainly due to disordering of FCC and BCC phases. Peak flow stresses of 793.45MPa, 535.12MPa, and 324.40MPa were achieved at 800oC, 900oC, and 1000oC respectively for the high temperature annealed alloy.

This study explores the enhancement of aqueous zinc-ion batteries (AZIBs) using ammonium-enhanced vanadium oxide cathodes. Density Functional Theory (DFT) calculations reveal that NH₄⁺ incorporation into V₆O₁₆ lattices significantly facilitates Zn²⁺ ion diffusion by reducing electrostatic interactions, acting as a structural lubricant. Subsequent experimental validation using (NH₄)₂V₆O₁₆ cathodes synthesized via a hydrothermal method corroborates the DFT findings, demonstrating remarkable electrochemical stability with a capacity retention of 90% after 2000 cycles at 5 A g⁻¹. These results underscore the potential of NH₄⁺ in improving the performance and longevity of AZIBs, providing a pathway for sustainable energy storage solutions.

The goal of this research is to determine the optimal microwave-assisted sol-gel synthesis pa-rameters of TiO2 nanoparticles with the achievement of the crystalline TiO2 nanoparticles with the highest specific surface area and the lowest energy band gap. Titanium isopropoxide was used as a precursor to prepare the sol (colloidal solution) of TiO2, isopropanol as a solvent, acetylacetone for complexation, and nitric acid as a catalyst. Four samples of titanium dioxide were synthesized from the prepared colloidal solution in a microwave reactor at a temperature of 150 °C for 30 minutes and at a temperature of 200 °C for 10, 20, and 30 minutes. The phase composition of the prepared samples was determined by X-ray diffraction analysis (XRD) and Fourier-transform infrared spectroscopy (FTIR). Nitrogen adsorption/desorption isotherms were used to determine the spe-cific surface area and pore size distributions by Brunauer-Emmett-Teller (BET) method. The band gap energy values of the TiO2 samples were determined by diffuse reflectance spectroscopy (DRS). CrystallineTiO2 nanoparticles with the highest specific surface area and the lowest energy band gap were obtained for the TiO2 sample synthesized at 200 °C for 10 minutes.

Copper ferrite attracts a lot of interest from researchers as a material with unique magnetic, optical, catalytic and structural properties. In particular, the magnetic properties of this material are structurally sensitive and can be tuned by changing the distribution of Cu and Fe cations in octahedral and tetrahedral positions by controlling synthesis parameters. In this study, we propose a new simple and convenient method for the synthesis of copper ferrite nanoparticles using a strongly basic anion exchange resin in OH form. The effect and possible mechanism of polysaccharides addition on the elemental composition, yield and particle size of CuFe2O4 is investigated and discussed. It is shown that anion exchange resin precipitation leads to a mixture of unstable at standard temperature cubic (c-CuFe2O4) and stable tetragonal (t-CuFe2O4) phases. The effect of the reaction conditions on the c-CuFe2O4 stability is studied by temperature-dependent XRD measurements and discussed in terms of the cations distribution, Jahn−Teller distortion and Cu2+ and oxygen vacancies in the copper ferrite lattice. The obtained differences in the values of saturation magnetization and the coercive force of prepared samples are explained with a reference to variations in the particle sizes and the structural characteristics of copper ferrite.

Iron is an essential nutrient for humans and microbes, such as bacteria. Iron deficiency occurs commonly in critically ill patients, but iron replacement therapy is not considered during the acute phase of critical illness, since it increases iron availability for invading microbes and oxidative stress. However, persistent iron deficiency in the recovery phase is harmful with potential adverse outcomes such as cognitive dysfunction, fatigue and cardiopulmonary dysfunction. Therefore, it is important to treat iron deficiency timely and efficiently. This article reviews current knowledge about iron-related biomarkers in critically ill patients and provides possible criteria to guide decision-making for iron supplementation in the recovery phase of critical illness.

Background: The microbiome of the ocular surface has been characterised, but only limited in-formation is available on a possible silent intraocular microbial colonisation in normal eyes. Therefore, we performed next generation sequencing (NGS) of 16S rDNA genes in aqueous hu-mor. Methods: Aqueous humor was sampled from three patients during cataract surgery. Air swabs, patient’s and healthy donor conjunctival swab served as controls. Following DNA extraction, the V3 and V4 hypervariable regions of the 16S rDNA gene were amplified and sequenced fol-lowed by denoising. The resulting Amplicon Sequence Variants were matched to a subset of the Ribosomal Database Project 16S database. The deduced bacterial community was then statis-tically analysed. Results: DNA content in all samples was low (0-1.49 ng/µl) but sufficient for analysis. Main phyla in all samples were Acinetobacteria (48%), Proteobacteria (26%), Firmicutes (14%), Acidobac-teria (8%) and Bacteroidetes (2%). Patients conjunctival control samples and anterior chamber fluid showed similar patterns of bacterial species containing many waterborne species. Non-disinfected samples showed a different bacterial spectrum than the air swab sample. Conclusions: The data confirm the existence of an ocular surface microbiome. A distinct intraoc-ular microbiome was not discernable from the background, suggesting the absence of an intra-ocular microbiome in normal eyes.

Biomass materials have received attention for energy storagebecaused of the advantage of low-cost, easy-to-prepare, and eco-friendliness. Three-dimensional carbon materialswith abundant pore structure gradually becomeresearch hotspot in high-performance energy storage. In this study, an easy-to-prepare, green, light and elastic activated carbon was present using the biomass Juncus effusus (JCE) via high-temperature pyrolysis, followed by activation in air. Compared with previously reported bio-carbons, the proposed air-activated bio-carbon contributes in the fabrication of pores to preserve the interconnected, reticular and tubular structure. Moreover, the interconnected porous material also inherits the excellent tenacity of the original JCE such as the material can be bended to below 90^o under an external force while maintaining structural integrity. The activated porous carbon material exhibits an enhanced electric double-layer capacitance (~210 F g^-1 at 1 A g^-1), with capacitance retention of ~78.62% at 10 A g^-1. The interconnected porous carbon microtubes electrode as a double-layer symmetric capacitor exhibits considerable capacitance retention (84%) after 2000 cycles at 1 A g^-1. The improved energy storage performance was proposed to be attributed to the shortened ionic diffusion distance and sufficient contact between the interface of the carbon electrode and electrolyte, which is resulted from the elastic, undamaged structure and types of pores. These results demonstrated that as-preparedcarbon materials have potentional application in symmetric capacitors.

The results of the investigation showed that second-order kinetics govern the adsorption process, and the corresponding rate constants were found. To evaluate the parameters related to the adsorption process, the adsorption equilibrium was examined using a variety of mathematical models, such as the Langmuir, Freundlich, Temkin, and Dubinin-Radushkevich isotherm models. The Langmuir isotherm was found to be the best appropriate among all models for describing the adsorption of Cu2+ and Ni2+ ions using bio-nanocomposite beads. The positive values of ΔH° indicate that the adsorption is physical and endothermic, in agreement with experimental results. The negative value of ∆G° shows that the adsorption process is spontaneous. Positive ΔS° values indicate increased randomness at the solid/liquid interface, during adsorption of Cu2+ and Ni2+ cations onto the engineered bio-nanocomposite. The maximum adsorbed amounts of metal ions by the bio-nanocomposite used were 370.37 mg/g for Ni2+ and 454.54 mg/g for Cu2+ from single system. For the binary system, according to the Langmuir isotherm, the maximum adsorbed amounts of Ni2+ and Cu2+ were 357.14 mg/g and 370,37 mg/g, respectively. There is proof that Alginate-Moroccan clay bio-nanocomposites can serve as a different, less expensive source of sorbents for the removal of metal ions from single and binary systems.

This work aims to investigate systematically the influence of process temperature and biomass-to-water ration on the chemical composition of aqueous and gaseous phases and mass production of chemical by hydrothermal processing of Açaí (Euterpe Oleraceae, Mart.) seeds. The hydrothermal carbonization carried out at 175, 200, 225, and 250 °C, 2 °C/min, biomass-to-water ratio of 1:10, and at 250 °C, 2 °C/min, and biomass-to-water ratios of 1:10, 1:15, and 1:20, in technical scale. The chemical composition of aqueous phase determined by GC and HPLC and the volumetric composition of gaseous phase by using an infrared gas analyzer. For constant biomass-to-water ratio of 1:10, the yields of solid, liquid, and gaseous phases varied between 53.39 and 37.01% (wt.), 46.61 and 59.19% (wt.), and 0.00 and 3.80% (wt.), respectively. The yield of solids shows a smooth exponential decay with temperature, while that of liquid and gaseous phases a smooth growth. By variation of biomass-to-water ratios, the yields of solid, liquid, and gaseous reaction products varied between 53.39 and 32.09% (wt.), 46.61 and 67.28% (wt.), and 0.00 and 0.634% (wt.), respectively. The yield of solids decreases exponentially with increasing water-to-biomass ratio and that of liquid phase increases in a sigmoid fashion. For constant biomass-to-water ratio, the concentrations of Furfural and HMF decrease drastically with temperature, reaching a minimum at 250 °C, while that of phenols increases. In addition, the concentrations of CH3COOH and total carboxylic acids increase, reaching a maximum at 250 °C. For constant process temperature, the concentrations of aromatics vary smoothly with the temperature. The concentrations of furfural, HMF, and cathecol decrease with temperature, while that of phenols increases. The concentrations of CH3COOH and total carboxylic acids decrease exponentially with temperature. Finally, for the experiments with varying water-to-biomass ratios, the productions of chemicals (furfural, HMF, phenols, cathecol, and acetic acid) in the aqueous phase is highly dependent on the biomass-to-water ratio.

(S)-Atenolol ((S)-2-(4-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide) has been synthesized in >99% ee with use of Candida antarctica lipase B from Syncozymes (Shanghai, China), in a kinetic resolution of the corresponding racemic chlorohydrin. Deprotonation of the starting phenol building block was base catalyzed. The enantiopurity of the chlorohydrin building block remained unchanged upon subsequent amination. All four steps in the synthesis protocol have been optimized compared to previously reported methods, which makes this new protocol more sustainable and in accordance with green chemistry principles compared to previously reported protocols.

Thromboembolic conditions, such as stroke and myocardial infarction [MI], are the primary causes of mortality globally. High efficiency was demonstrated by fibrinolytic enzymes isolated from microbial sources in dissolving various blood clots. The study aimed to investigate and produce bacterial fibrinolytic enzymes from various Egyptian soil conditions using recombinant DNA technology. Fifty soil samples were examined to determine the production of fibrinolytic enzymes. The plasmin plate technique assessed the thrombolytic activities of the strong fibrinolytic enzyme-producing bacterial isolates. In addition to determining the molecular mass using a mass spectrometer and the western blot method, the activity and thermostability of the enzymes were characterized. An affinity chromatography approach was used to purify the fibrinolytic enzymes. However, bacterial recombinant DNA technology produced the pure bacterial fibrinolytic enzyme. Several dosage formulations for the formulation of fibrinolytic enzymes were tested. By using affinity chromatography and the SDS-PAGE test, the isolated bacterial fibrinolytic enzyme in this investigation was almost 83% pure. Bacillus cereus ATCC 4342 was identified as the predominant bacterial isolate secreting fibrinolytic enzymes. It was discovered that the fibrinolytic enzyme activity of fifty soil samples ranged from 0.167 U/ml to 1.853 U/ml. The extracellular enzyme extracted from Bacillus cereus culture supernatant demonstrated a relatively stable fibrinolytic activity over 18 hours at a pH range of 7.4–10, as well as stability with maximum productivity at 43℃ for over 60 minutes. In this investigation, the enzyme was referred to as Fibrin-proteinase[ FP]. The fibrin clots were directly thrombolyzed by the FP. The calculated values for the specific activity and molecular mass of the FP were approximately 40.71 units/mg of protein and approximately 30 KDa, respectively. It was observed that the presence of Fe+3 marginally boosted protease activity, but the presence of EDTA decreased it. On the other hand, adding monovalent cations like K+1 and Na+1 significantly increased the fibrinolytic activity of FP. The enzyme exhibited activity throughout the temperature range of 20 to 65℃, peaking at 55℃. The ideal range for the generation of protease was 35–43℃ and 8.0–10. The thermostable fibrinolytic enzyme FP, which was isolated from Bacillus cereus ATCC 4342 in various soil environments in Egypt during the current study, was a promising fibrinolytic enzyme because it demonstrated a more extensive and effective fibrinolytic activity and fewer side effects than the fibrinolytic enzymes that are currently available worldwide. It is advised that further research be done on optimizing the right formulation of bacterial fibrinolytic enzymes in the future to help dissolve different types of blood clots and, as a result, lower the high death rate that exists worldwide.

Transition-metal-free synthesis of 4-pyrones via TfOH-promoted nucleophilic addition/cyclization of diynones and water has been developed. This transformation is simple, atom economical and environmentally benign, providing rapid and efficient access to substituted 4-pyrones.

Malaria remains an important and challenging infectious disease, and novel antimalarials are required. Benzyl isothiocyanate (BITC), the main breakdown product of benzyl glucosinolate, is present in all parts of Tropaeolum majus L. (T. majus) and has antibacterial and antiparasitic activities. To our knowledge, there is no information on the effects of BITC against malaria. The present study evaluates the antimalarial activity of BITC and T. majus seeds, leaves, and stems aqueous extracts. We used flow cytometry to calculate the growth inhibition (GI) percentage of the extracts and BITC against unsynchronized cultures of chloroquine-susceptible Plasmodium falciparum (P. falciparum) 3D7-GFP strain. Extracts and/or compounds with at least 70% GI were validated by IC50 estimation against P. falciparum 3D7-GFP and Dd2 (chloroquine-resistant strain) unsynchronized cultures by flow cytometry, and the resistance index (RI) was determined. T. majus aqueous extracts showed some antimalarial activity higher in seeds than in leaves or stems. BITC’s GI was comparable to chloroquine’s. BITC’s IC50 was similar in both strains, thus a cross-resistance absence with aminoquinolines was found (RI < 1). BITC presented features that could open new avenues for malaria drug discovery.

Nowadays, the growing concern about improving thermal comfort in textiles, asphalt pavements and buildings has stimulated research into phase change materials (PCMs). However, the incorporation of PCMs directly causes mechanical impacts. Therefore, this study herein reported focuses on designing coaxial phase change fibres using commercial cellulose acetate (CA) or recycled CA obtained from cotton fabrics (CAt) as a coating and polyethylene glycol (PEG) 2000 as a core. The phase change fibres (PCF) were produced by wet spinning, varying the parameters: (i) CA concentration, molecular weight and source (virgin versus recycled); and (ii) PEG concentration and ejection. For phase change recycled fibres (PCFt), PEG concentration and ejection were varied. The fibres were assessed for their optical, chemical, thermal and mechanical properties. Bright-field microscopy images and Scanning Electron Microscopy (SEM) micrographs proved the coaxial structure. Fourier Transform Infrared spectroscopy (FTIR) confirmed the presence of PEG in the core. Thermogravimetric Analysis (TGA) proved the ability of PCFs to tolerate high temperatures. Differential Scanning Calorimetry (DSC) attested to the presence of PEG2000 peaks, since their melting points were close to those of virgin PEG2000, with a slight change in the PCFs and PCFts caused by the protective sheath of CA and CAt.

Epilepsy is a common neurological condition, typically diagnosed using Electroencephalogram (EEG). Large scale EEG datasets have recently been made publicly available, allowing the use of advanced Machine Learning (ML) algorithms to analyze EEG patterns associated with epilepsy. While most existing studies focus on identifying seizures in the EEG, few have tried to identify preictal EEG segments. Identifying preictal EEG segments are not only useful in developing early warning systems but also helps inform the course of treatment for the patient. In this study, we propose to represent EEG segments as images, instead of time-series data, and identify preictal EEG segments using a preexisting ML algorithm (YOLOv8) designed for image processing. Multiplexed images (containing the original EEG signal represented on a 2D grid, kurtosis, and spectral entropy) achieve the best accuracy of 95.75% on the dataset while images just containing the EEG signal result in an accuracy of 91.25%. Using only spectrograms, generated from the original EEG signal, results in an accuracy of 90.15%.

In this paper, a novel microwave catalyst Ni@SiC/CNFs (NSC), C/Ni (NC), and C/SiC (SC) were successfully synthesized by electrostatic spinning method, and proved to degrade methylene blue with high efficiency under microwave irradiation. The results imply that the catalyst Ni@SiC/CNFs with double shell structure gave a 99.99 % removal rate in 90 s for the degradation of methylene blue under microwave irradiation, outperformed the C/Ni and C/SiC and most other reported catalysts in similar studies. On the one hand, the possible mechanism of the methylene blue degradation should be ascribed to that double shell structure increases the polarization source of the material, resulting in excellent microwave absorption properties; and on the other, the in-situ generation of active species OH• and O2 - under microwave radiation and the synergistic coupling effect of metal plasma greatly improved the degradation efficiency of methylene blue. The findings of this study could provide a valuable reference for the green degradation of industrial dye wastewater and its sustainable development process.

Underwater Sensor Networks (UWSNs) can enable a broad range of applications such as resource monitoring, disaster prevention, and navigation-assisted. It is especially relevant for sensor nodes location in UWSNs. Global Positioning System (GPS) is not suitable for using in UWSNs because of the underwater propagation problems. Hence some localization algorithms based on the precise time synchronization between sensor nodes have been proposed which are not feasible for UWSNs. In this paper, we propose a localization algorithm called Two-Phase Time Synchronization-Free Localization Algorithm (TP-TSFLA). TP-TSFLA contains two phases, namely, range-based estimation phase and range-free evaluation phase. In the first phase, we address a time synchronization-free localization scheme base on the Particle Swarm Optimization (PSO) algorithm to decrease the localization error. In the second phase, we propose a Circle-based Range-Free Localization Algorithm (CRFLA) to locate the unlocalized sensor nodes which cannot obtain the location information through the first phase. In the second phase, sensor nodes which are localized in the first phase act as the new anchor nodes to help realize localization. Hence in this algorithm, we use a small number of mobile beacons to help achieve location without any other anchor nodes. Besides, to improve the precision of the range-free method, an extension of CRFLA by designing a coordinate adjustment scheme is updated. The simulation results show that TP-TSFLA can achieve a relative high localization ratio without time synchronization.

Design process can be divided into stages of analysis and synthesis. This paper presents the application of the object-oriented technique to the synthesis as well as theoretical considerations concerning to design of gear size ranges. The synthesis consists in composition (aggregation) of single details into units – according to the rule: “from details up to general view”. The basics of the object-oriented synthesis were formulated. Furthermore, the consecutive stages of synthesis were formulated. The interactions between these stages were discussed. Some aspects were described in details e.g.: creation of interfaces for performance of the embodiment phase the designed artefact via CAD system drawing with specification (dimensions are still parametrically set). The final step of the procedure is creation of so called substantial (concrete) form of artifacts i.e. final assignment of dimensions which stored in the special data base. The final stage of the design process is issuing of technical documentation (technical drawings) created automatically via CAD system. The considerations are terminated by the list of advantages connected with the object-oriented approach to design (in comparison to the traditional way).

In this study, nanostructured cerium-doped TiO2 (Ce-TiO2) films with the addition of different amounts of cerium (0.00, 0.08, 0.40, 0.80, 2.40, and 4.10 wt. %) were deposited on a borosilicate glass substrate, by flow coating sol-gel process. After flow coating, deposited films were dried at the temperature of 100 °C for 1 h, followed by calcination at the temperature of 450 °C for 2 h. For the characterization of sol-gel TiO2 films, the following analytic techniques were used: X-ray diffraction (XRD), thermal gravimetry (TG), differential thermal analysis (DTA), and differential scanning calorimetry (DSC). Sol-gel derived Ce-TiO2 films were used for photocatalytic degrada-tion of the ciprofloxacin (CIP). The influence of the amount of Ce in TiO2 films, the duration of the photocatalytic decomposition, and the irradiation type (UV-A and simulated solar light) on the CIP degradation were monitored. Kinetics parameters (reaction kinetics constants and the half-life) of the CIP degradation, as well as photocatalytic degradation efficiency, were determined. The best photocatalytic activity was achieved by the TiO2 film doped with 0.08 wt.% Ce, under both UV-A, and solar irradiation.

Red mud (RM) is a residue obtained from the production of alumina. It contains a high concentration of metal oxides and waste concentrated sodium hydroxide solution (pH = 13). To increase the value of RM, an environmentally friendly process of transesterification using waste cooking oil (WCO), MeOH and concentrated sodium hydroxide solution (CSHS) from aluminum production was proposed. Triglycerides of WCO reacted with MeOH at 60 oC to yield mixtures of fatty acid methyl esters (FAMEs) in the presence of 2.03% (w/w) CSHS/WCO using the CSHS (0.204 mol L-1, predetermined by potentiometric titration) from aluminum production by the Bayer process or with the addition of 0.68% (w/w) fabric softener (3% w/w cetyltrimethylammonium chloride in solution) as a phase transfer (PTA) agent. The addition of PTA to the catalyst resulted in a better yield of the products (greater than 98% yield). A simplified mechanism is presented to account for the experimental results.

Delivering nucleic acid therapeutics across cell membranes is a significant challenge. Cell-penetrating peptides (CPPs) containing arginine (R), tryptophan (W), and histidine (H) show promise for siRNA delivery. To improve siRNA delivery and silencing a model STAT3 gene, we hypothesized that oleyl acylation to CPPs, specifically (WRH)n, would enhance STAT3 silencing efficiency in breast and ovarian cancer cells. Using Fmoc/tBu solid-phase peptide chemistry, we synthesized, purified, and characterized the oleyl-conjugated (WRH)n (n = 1-4) peptides. The peptide:siRNA complexes were non-cytotoxic at N/P 40 (~20 μM) against MDA-MB-231, MCF-7, SK-OV-3, and HEK-293 cells after 72 h incubation. All peptide:siRNA complexes showed serum stability at N/P ≥40. The synthesized conjugates, with a diameter of &lt;100 nm, formed nano complexes with siRNA and exhibited stable range of zeta potential values (13-18 mV at N/P 40). Confocal microscopy and flow cytometry analysis provided qualitative and quantitative evidence of successful cellular internalization of siRNA. Peptides oleyl-(WRH)3 and oleyl-(WRH)4 showed ~60% and ~75% cellular uptake of siRNA, respectively, in both MDA-MB-231 and SK-OV-3 cells. Western blot analysis of oleyl-(WRH)4 demonstrated effective silencing of the STAT-3 gene, with ~75% silencing in MDA-MB-231 cells and ~45% in SK-OV-3 cells.

Pyrethroid pesticides (PYRs) as the third most widely used pesticides, following organophosphorus and carbamate pesticides, which are of significant importance in the analysis and detection of vegetables. However, the current pretreatment technology for PYRs confronts challenges of difficult separation and low enrichment efficiency, resulting in a cumbersome and time-consuming pretreatment process with poor selectivity. Here, a simple and efficient magnetic solid-phase extraction (MSPE) strategy was developed to simultaneously purify and enrich five PYRs in vegetables, with the magnetic covalent organic framework nanomaterial COF-SiO2@Fe3O4 as an adsorbent. The COF-SiO2@Fe3O4 was prepared by a simple solvothermal conditions method, using Fe3O4 as magnetic core, benzidine and 3,3,5,5-tetraaldehyde biphenyl as two building units. COF-SiO2@Fe3O4 could effectively capture the targeted PYRs by virtue of its abundant π-electron system and hydroxyl groups. The impact of various experimental parameters on extraction efficiency was investigated to optimize the MSPE conditions, including adsorbent amount, extraction time, elution solvent type and elution time. Subsequently, method validation was conducted under the optimal conditions in conjunction with gas chromatography-mass spectrometry (GC-MS). Within the range of 5.00–100 μg·kg-1 (1.00–100 μg·kg-1 for bifenthrin and 2.5–100 μg·kg-1 for fenpropathrin), the five PYRs exhibited a strong linear relationship, with determination coefficients ranging from 0.9990 to 0.9997. The limits of detection (LODs) were 0.3–1.5 μg·kg-1, and the limits of quantification (LOQs) were 0.9–4.5 μg·kg-1. The recoveries were 80.2–116.7% with relative standard deviations (RSDs) below 7.0%. Finally, COF-SiO2@Fe3O4, NH2-SiO2@Fe3O4 and Fe3O4 were compared as MSPE adsorbents for PYRs. The results indicated that COF-SiO2@Fe3O4 was an efficient and rapid selective adsorbent for PYRs. This method holds promising prospects for the determination of PYRs in real samples.

Non-isocyanate polyurethane synthesis by non-Sn catalysis is an essential challenge toward green polyurethane synthesis. Bismuth compounds are attractive candidates due to their low cost, low toxicity, and availability to urethane chemistry. We applied various Bi catalysts to the self-polycondensation of a bishydroxyurethane monomer and found BiCl3 to be an excellent catalyst through optimization. The catalytic activity and price of BiCl3 are comparable to those of Bu2SnO, while its toxicity is significantly low. BiCl3 is, therefore, a promising alternative to Sn-based catalysts in non-isocyanate polyurethane synthesis.

In this paper, a semi-empirical model of air waves induced by falling rock is described. The model is composed of a uniform motion phase (velocity close to 0 m·s^-1) and an acceleration movement phase. The uniform motion phase was determined based on experimentally and the acceleration movement phase was derived by theoretical analysis. A series of experiments were performed to verify the semi-empirical model and elucidated the law of the uniform motion phase. The acceleration movement phase accounted for a larger portion with a greater height of the falling rock. Experimental results of different falling heights of the goaf showed close agreement with theoretical analysis values. The semi-empirical model could accurately and conveniently estimate the velocity of air wave induced by falling rock. Thus, the semi-empirical model can provide a reference and basis for estimating the speed of air waves and designing protective measures in mines.

The chemical investigation of the anti-yeast methanol extract from the stem bark of Terminalia mantaly led to the isolation of seven compounds: 3-O-methyl-4-O-α-rhamnopyranoside ellagic acid (1), 3-O-mehylellagic acid (2), arjungenin or 2,3,19,23-tetrahydroxyolean-12-en-28-oïc acid (3), arjunglucoside or 2,3,19,23-tetrahydroxyolean-12-en-28-oïc acid glucopyranoside (4), 2α,3α,24-trihydroxyolean-11,13(18)-dien-28-oïc acid (5), stigmasterol (6), stigmasterol 3-O-β-D-glucopyranoside (7). Their structures were established by means of spectroscopic analysis and comparison with published data. Compounds 1-5 were tested in vitro for activity against three pathogenic yeast isolates, Candida albicans, Candida parapsilosis and Candida krusei. The activity of compounds 1, 2 and 4 were comparable to that of the reference compound fluconazole (MIC values below 32 µg/ml) against the three tested yeast isolates. They were also tested for inhibitory properties against four enzymes of metabolic significance: Glucose-6-Phosphate Deshydrogenase (G6PD), human erythrocyte Carbonic anhydrase I and II (hCA I and hCA II), Glutathione S-transferase (GST). Compound 4 showed highly potent inhibitory property against the four tested enzymes with overall IC₅₀ values below 4 µM and inhibitory constant (Ki) <3 µM.

The multiphase motors due to their reliability find new areas of application in the industry and transportation. Developing of any system with multiphase motors at first requires elaborate model of the system, define control mode and controllers. The model of control system for the six-phase drive is based on its conventional d-q mathematical model and indirect field-oriented control. Simulink model of six-phase drive with indirect field-oriented control and simulated with two types PID and PID fuzzy controllers. The simulation results, reflecting step response and provided speed reference law as well as load application at constant speed, are presented and analyzed. Fuzzy controller with 49 rules is considered and applied. Six-phase electric drive with field-oriented control at well-tuned PID controller has good step response specifications: settling time 0.13 s at starting without load, step response has no overshoot, small about 1 % short time decrease of speed at load of 5 Nm application. The system employing PID fuzzy controller shows slightly better results in response to torque application: the decrease in speed 1 % is eliminated in shorter time. Simulation results indicate the robustness of both systems with six-phase drive to disturbance and provide high quality transient specifications at determined reference speed.

This work aims to investigate systematically the influence of process temperature, bio-mass-to-water ratio, and production scales (laboratory and pilot) on the chemical composition of aqueous and gaseous phases and mass production of chemical by hydrothermal processing of Açaí (Euterpe Oleraceae, Mart.) seeds. The hydrothermal carbonization carried out at 175, 200, 225, and 250 °C, 2 °C/min, biomass-to-water ratio of 1:10, and at 250 °C, 2 °C/min, and biomass-to-water ratios of 1:10, 1:15, and 1:20, in technical scale, as well as at 200, 225, and 250 °C, 2 °C/min, bio-mass-to-water ratio of 1:10, in laboratory scale. The elemental composition (C, H, N, S) of solid phase determined to compute the HHV. The chemical composition of aqueous phase determined by GC and HPLC and the volumetric composition of gaseous phase by using an infrared gas an-alyzer. For the experiments in pilot scale with constant biomass-to-water ratio of 1:10, the yields of solid, liquid, and gaseous phases varied between 53.39 and 37.01% (wt.), 46.61 and 59.19% (wt.), and 0.00 and 3.80% (wt.), respectively. The yield of solids shows a smooth exponential de-cay with temperature, while that of liquid and gaseous phases a smooth growth. By varying the biomass-to-water ratios, the yields of solid, liquid, and gaseous reaction products varied be-tween 53.39 and 32.09% (wt.), 46.61 and 67.28% (wt.), and 0.00 and 0.634% (wt.), respectively. The yield of solids decreases exponentially with increasing water-to-biomass ratio and that of liquid phase increases in a sigmoid fashion. For constant biomass-to-water ratio, the concentrations of Furfural and HMF decrease drastically with increasing temperature, reaching a minimum at 250 °C, while that of phenols increases. In addition, the concentrations of CH3COOH and total car-boxylic acids increase, reaching a maximum at 250 °C. For constant process temperature, the concentrations of aromatics vary smoothly with the temperature. The concentrations of furfural, HMF, and cathecol decrease with temperature, while that of phenols increases. The concentra-tions of CH3COOH and total carboxylic acids decrease exponentially with temperature. Finally, for the experiments with varying water-to-biomass ratios, the productions of chemicals (furfu-ral, HMF, phenols, cathecol, and acetic acid) in the aqueous phase is highly dependent on the biomass-to-water ratio. For the experiments in laboratory scale with constant biomass-to-water ratio of 1:10, the yields of solid ranged between 55.9 and 51.1% (wt.), showing not only a linear decay with tem-perature, but also a lower degradation grade. The chemical composition of main organic compounds (furfu-ral, HMF, phenols, cathecol, and acetic acid) dissolved in the aqueous phase in laboratory scale shows the same behavior of those in obtained in pilot scale.

Abstract. Results of research into four-membered phosphorus(V)-heterocycles, 2-halogen-1,2λ⁵-oxaphosphetanes are presented. The preparation of 2-halo-1,2λ⁵-oxaphosphetanes by reaction of P-haloylides with carbonyl compounds is described. The mechanism of asynchronous [2+2]-сycloaddition of ylides to aldehydes was proposed on the base of low-temperature NMR investigations. 2-Halogen-1,2λ⁵-oxaphosphetanes were isolated as individual compounds and their structures were confirmed by ¹Н, ¹³C, ¹⁹F and ³¹Р NMR spectra. These compounds are convenient reagents for preparing of various organic and organophosphorus compounds hardly available by other methods. Chemical and physical properties of the 2-halo-1,2λ⁵-oxaphosphetanes are reviewed. The 2-chloro-1,2λ⁵-oxaphosphetanes depending on substituents at the α-carbon atom rearrange with formation of 2-chloroalkylphosphonates or convert into trans-phosphorylated alkenes. Prospective synthetic applications of 2-halo-1,2λ⁵-oxaphosphetanes are analyzed. The 2-halo-1,2λ⁵-oxaphosphetanes may be easily converted to various alkenylphosphonates: allyl- or vinylphosphonates, phosphorus ketenes, thioketenes, ketenimines.

Using coherent optical detection and digital signal processing, laser phase noise and equalization enhanced phase noise can be effectively mitigated using the feed-forward and feed-back carrier phase recovery approaches. In this paper, theoretical analyses of feed-back and feed-forward carrier phase recovery methods have been carried out in the long-haul high-speed n-level phase shift keying (n-PSK) optical fiber communication systems, involving a one-tap normalized least-mean-square (LMS) algorithm, a block-wise average algorithm, and a Viterbi-Viterbi algorithm. The analytical expressions for evaluating the estimated carrier phase and for predicting the bit-error-rate (BER) performance (such as the BER floors) have been presented and discussed in the n-PSK coherent optical transmission systems by considering both the laser phase noise and the equalization enhanced phase noise. The results indicate that the Viterbi-Viterbi carrier phase recovery algorithm outperforms the one-tap normalized LMS and the block-wise average algorithms for small phase noise variance (or effective phase noise variance), while the one-tap normalized LMS algorithm shows a better performance than the other two algorithms for large phase noise variance (or effective phase noise variance). In addition, the one-tap normalized LMS algorithm is more sensitive to the level of modulation formats.

In wheeled vehicles, there exists a challenge concerning the alignment of the front wheels during turns. When both wheels are turned to the same extent, the inner wheel experiences lateral slippage on the road surface, resulting in reduced steering efficiency. Such problems can be solved by using the Ackermann principle. There are two approaches: through the steering mechanism or by employing autonomous wheel control. From a technical standpoint, it is achievable to synthesize a steering mechanism that fulfills the Ackermann condition, ensuring as accurately as possible for any given turning radius. This research paper focuses on synthesizing a steering mechanism, specifically a two-circuit linkage that links the left and right wheels. The structure and kinematics of this mechanism are being investigated. Following the principles of Ackermann, an objective function for the kinematic synthesis of the mechanism has been formulated. The synthesis process of the mechanism is conducted using the analytical method of interpolation in four parameters. A dedicated method has been developed, and kinematic analysis of the mechanism using the synthesized parameters has been performed. The simulation results have demonstrated high accuracy in achieving the desired implementation of the Ackermann condition.

Mutations in epidermal growth factor receptor (EGFR) occur in about 48% of Asian and 19% of Western patients with lung adenocarcinoma (LUAD), leading to its constitutive activation and subsequent uncontrolled cell proliferation. To counteract this, tyrosine kinase inhibitors (TKIs) have been developed, targeting EGFR activity. However, the emergence of metastases and resistance mutations often undermines the durability of the treatment response. Knowledge-based mechanistic models that replicate existing clinical trial outcomes, tailored to specific population characteristics, provide invaluable assistance in designing future clinical trials. These models are particularly effective in identifying optimal responders to specific treatments, thereby enhancing therapeutic efficacy. We have developed physiologically based pharmacokinetic (PBPK) models for gefitinib and osimertinib, representing two distinct generations of EGFR TKIs, to accurately simulate the drugs’ distribution within the primary tumor and metastatic sites following oral administration. These models were integrated with a pathophysiological mechanistic model of EGFR-mutant LUAD, enabling the representation of the effects of both gefitinib and osimertinib on EGFR activation-induced signaling pathways. This comprehensive model outputs detailed evolutions of the primary tumor and each metastatic site, facilitating the evaluation of patient progression in alignment with RECIST guidelines (version 1.1). Notably, the model encapsulates the heterogeneity within the tumor, through the representation of various subclones, each characterized by unique mutation profiles, thereby reflecting differential responses to treatment. Calibration of the model was achieved using publicly available data from the NEJ002 and FLAURA clinical trials. Rigorous visual predictive checks and statistical tests were employed to ensure the proper behavior of the model. The model adeptly replicated the time to progression observed in real clinical trials in EGFR-mutant LUAD patients receiving gefitinib or osimertinib as first-line therapy. In addition, the model was able to reproduce the results from a retrospective study comparing gefitinib and osimertinib, a study that was not used to inform the model. With a consistent virtual population as a reference, the combined model facilitated a comparative analysis of the efficacy of both treatments, thereby underscoring its utility in evaluating therapeutic strategies. The faithful replication of real-world data significantly enhances the credibility of our model, rendering it a vital investigational tool for deriving pertinent insights and informing treatment strategies, particularly in identifying optimal responders to various generations of EGFR TKIs. Following its consecutive prospective validations in the FLAURA2 and MARIPOSA trials, the model is poised to facilitate the generation of synthetic control arms in future clinical trials. This advancement promises a more nuanced analysis of covariate relationships, especially when comparing investigational treatments to established standards of care. Additionally, it potentially reduces the required patient cohort size in such trials, optimizing resource utilization.

A facile solid-phase synthetic method for incorporating the imidazoline ring motif, a surrogate for a trans peptide bond, into bioactive peptides is reported. The example described is the synthesis of an imidazoline peptidomimetic analog of an insect pyrokinin neuropeptide via a cyclization reaction of an iminium salt generated from the preceding amino acid and 2,4-diaminopropanoic acid (Dap).

Green synthesis of silver nanoparticles (AgNPs) using raw Whey has never been reported. Silver nanoparticle formation involves a reduction reaction of silver salt solution with Whey extract. Extract and metal salt concentrations, and temperature can control this reaction. In this work, incubation period, extract, AgNO3, and NaOH concentrations were used as the independent factors using central composite design under response surface methodology. The aim was to elucidate the influence these factors have on the measured UV-Vis absorption spectra fitted with a Voigt function, and to optimize the conditions for nanoparticle formation. The fitting parameters, peak wavelength (λ0), peak area (A), and Full Width at Half Maximum (FWHM), were the responses. Silver nanoparticle formation was only possible in an alkaline environment (pH 10). The peak wavelength and the FWHM are influenced mainly by extract and AgNO3 concentrations. In contrast, the peak area is influenced by a total of 33.54 % from the interaction terms of AgNO3 and extract concentrations with NaOH. Metallic AgNPs were formed for the following parameter ranges: a) Whey (0.4 – 1.6 % v/v), b) AgNO3 (0.15 – 0.6 mM), c) NaOH (10 – 50 mM), and d) Time (20 – 60 min). Silver oxide nanoparticles were also observed.

Some peptide-based drugs including oxytocin, vasopressin, ziconotide, pramlintide, nesiritide, and octreotide, contain one intramolecular disulfide bonds. A novel and reusable monodispersed silica nanosphere-supported Pt(IV) complex (SiO2@TPEA@Pt(IV)) was synthesized via a four-step procedure and used for formation of intramolecular disulfide bonds in peptides. TEM and chemical mapping results for the Pt(II) intermediates and for SiO2@TPEA@Pt(IV) show that the silica nanospheres possess a monodisperse spherical structure and contain uniformly distributed Si, O, C, N, Cl, and Pt. The valence state of Pt on the silica nanospheres was characterized by XPS. The Pt(IV) loaded on SiO2@TPEA@Pt(IV) was 0.15 mmol/g, as determined by UV-vis spectrometry. Formation of intramolecular disulfides in six dithiol-containing peptides of variable lengths by use of SiO2@TPEA@Pt(IV) was investigated and the relative oxidation yields were determined by HPLC. In addition, peptide 1 (Ac-CPFC-NH2) was utilized to study the reusability of SiO2@TPEA@Pt(IV). No significant decrease in the relative oxidation yield was observed after ten reaction cycles. Moreover, the structure of SiO2@TPEA@Pt(IV) after being used ten cycles was determined to be similar to its initial one, demonstrating the cycling stability of the complex.

The application potential of cellulosic materials in natural composites and other fields needs to be explored to develop innovative, sustainable, lightweight, functional biomass materials that are also environmentally friendly. This study investigated Typha augostifolia (Typha sp.) as a potential new raw material for extracting cellulose nanocrystals (CNCs) for application in wastewater treatment composites. Alkaline treatments and bleaching were used to remove cellulose from the stem fibers. The CNCs were then isolated from the recovered cellulose using acid hydrolysis. The study showed a few distinct functional groups (O-H, -C-H, =C-H and C-O, and C-O-C) in the Fourier Transform Infrared (FTIR) spectra. Scanning electron microscope (SEM) revealed the smooth surface of CPC and CNCs that resulted from removing lignin and hemicellulose from powdered Typha augostifolia. Based on the crystalline index, the powdered Typha augostifolia, CPC, and CNCs were 42.86%, 66.94% and 77.41%. The loss of the amorphous section of the Typha sp. fiber resulted in a decrease in particle size. It may be inferred from the features of a Typha sp. CNC that CNCs may be employed as reinforcement in composites for wastewater treatment.

This study presents a reproducible and scalable method for synthesizing silica nanoparticles (SNPs) with controlled sizes below 200 nm, achieved by systematically varying three key reaction parameters: ammonium hydroxide concentration, water concentration, and temperature. SNPs with high monodispersity and controlled dimensions were produced by optimizing these factors. The results indicated a direct correlation between ammonium hydroxide concentration and particle size, while higher temperatures resulted in smaller particles with increased polydispersity. Water concentration also influenced particle size, with a quadratic relationship observed. This method provides a robust approach for tailoring SNP sizes, with significant implications for biomedical applications, particularly in drug delivery and diagnostics. Using eco-friendly solvents such as ethanol further enhances the sustainability and cost-effectiveness of the process.

A comprehensive kinetic model of the Fischer-Tropsch synthesis (FTS) is developed in a fixed bed reactor under operating conditions (temperature, 230–235°C, pressure, 20–25 bar, gas hourly space velocity, 4000–5000 cm³(STP)/h/g_catalyst ,H₂/CO feed molar ratio, 2.1) over a Co based catalyst. Reaction rate equations based on Eley-Rideal (ER) type model for initiation step and Langmuir-Hinshelwood-Hougen-Watson (LHHW) type model for propagation and termination steps of the FTS reactions have been considered and the readsorption of olefins were taken into account. The model that was reported in the literature was modified in order to explain many significant deviations from the ASF distribution. Optimum parameters have been obtained by Genetic Algorithms (GA). The calculated activation energies to produce n-paraffins and 1-olefins were in the range of 82.24 to 90.68 kJ/mol and 100.66 to 105.24 kJ/mol, respectively. The hydrocarbon distribution in FTS reactions was satisfactorily predicted particularly for paraffins.

The low water solubility of any pharmacoactive molecules limits their pharmacological potential but the solubility parameter cannot compromise, so different approaches are employed to enhance their bioavailability. Pharmaceutically active molecules with low solubility convey a higher risk of failure for drug innovation and development. Pharmacokinetics, pharmacodynamics, and several other parameters, such as drug distribution, protein binding and absorption, are majorly affected by their solubility. Among all pharmaceutical dosage forms, the oral dosage forms cover more than 50 %, and the drug molecule should be water-soluble. For good therapeutic activity by the drug molecule on the target site, solubility and bioavailability are crucial factors. The pharmaceutical industry screening programs identified that around 40% of new chemical entities (N.C.E.s) face various difficulties at the formulation and development step. These pharmaceuticals are attributed to their less solubility and bioavailability. The bioavailability and drug solubility enhancement are significant challenges in the area of pharmaceutical formulations. According to the Classification of Biopharmaceutics, Class II and IV drugs (APIs) exhibits poor solubility, lower bioavailability, and less dissolution. Various technologies are discussed in this article to improve the solubility of the poorly water-soluble drug, for example, complexation of active molecules, utilization of emulsion formation, micelles, microemulsions, cosolvents, polymeric micelles preparation, particle size reduction technologies, pharmaceutical salts, prodrugs, solid-state alternation technique, soft gel technology, drug nanocrystals, solid dispersion methods, crystal engineering techniques and nanomorph technology. This review mainly describes several other advanced methodologies for solubility and bioavailability enhancement, such as crystal engineering, micronization, solid dispersions, nano sizing, use of cyclodextrins, solid lipid nanoparticles, colloidal drug delivery systems and drug conjugates, by some appropriate research reports.

Using an original method for measuring weak radiothermal electromagnetic signals, experimental data were obtained on the analysis of dispersions of noise attractors of the radiobrightness temperature of aqueous solutions of NaCl, Al (NO₃)₃ at dilutions C1 (1:100) – C12 (12:100). The values of dispersions of noise attractors significantly differ from those for the control experiment with water. On the basis of the changed values of the noise attractors of the radiobrightness temperature, the values of the absorption coefficients of the solutions are calculated. The difference between the values of the solutions absorption coefficients and those for water is shown with a successive increase in their values with an increase in the degree of dilution. The difference between the values of the absorption coefficients of solutions of high dilutions and those for water is interpreted as a mechanism of cooperative interaction of ions with water molecules located outside the first hydration shell. A network of water molecules perturbed by ions contributes to the dielectric permittivity was obtained due to new properties at supramolecular interactions on the basis of dispersion interaction.

In the frame of our diversity-oriented research on multitarget small molecule anticancer agents, utilizing convergent synthetic sequences terminated by Sonogashira coupling reactions, a preliminary selection of representative alkyne-tethered vindoline hybrids was synthesized. The novel hybrids with additional pharmacophoric fragments of well-documented anticancer agents, including FDA-approved tyrosine-kinase inhibitors (imatinib and erlotinib) or ferrocene or chalcone units, were evaluated for their antiproliferative activity on malignant cell lines MDA-MB-231 (triple negative breast cancer), A2780 (ovarian cancer), HeLa (human cervical cancer) and SH-SY5Y (neuroblastoma) as well as human embryonal lung fibroblast MRC-5 served as reference non-malignant cell line for the assessment of the therapeutic window of the tested hybrids. The biological assays identified a trimethoxyphenyl-containing chalcone-vindoline hybrid (36) as a promising lead compound exhibiting submicromolar activity on A2780 cells with a marked therapeutic window. These results suggest that ovarian cancer might be considered as a prioritized target of treatment with 36.

This paper presents a new semi-explicit algorithm for parameters estimation in a time-fractional generalization of dual-phase-lag heat conduction model with the Caputo fractional derivatives. It is shown that this model can be derived from a general linear constitutive relation for the heat transfer by conduction when the heat conduction relaxation kernel contains the Mittag-Leffler function. The model can be used to describe heat conduction phenomena in a material with power-law memory. The proposed algorithm of parameters estimation is based on the time integral characteristics method. The explicit representations of the thermal diffusivity and the fractional analogues of the thermal relaxation time and the thermal retardation are obtained via a Laplace transform of the temperature field and utilized in the algorithm. An implicit relation is derived for the order of fractional differentiation. In the algorithm, this relation is resolved numerically. An example illustrates the proposed technique.

. Protein cysteine S-glycosylation is a relatively rare and less well characterized post-translational modification (PTM). Creating reliable model proteins that carry this modification is challenging. The lack of available model or natural S-glycosylated proteins significantly hampers the development of MS-based methodologies for detecting protein cysteine S-glycosylation in real-world proteomic studies. There is also limited MS-sequencing data describing easier to create synthetic S-glycopeptides. Here, we present the results of an in-depth manual analysis of automatically annotated CID/HCD spectra for model S-glucopeptides. The CID spectra show a long series of y/b-fragment ions with retained S-glucosylation, regardless of the dominant m/z signals corresponding to neutral loss of 1,2-anhydroglucose from the precursor ions. In addition, the spectra show signals manifesting glucosyl transfer from the cysteine position onto Lys, Arg side chains, and a peptide N-terminus. Other spectral evidence indicates that the N-glucosylated initial products of transfer are converted into N-furanosylated (i.e., glycated) structures due to Amadori rearrangement. We discuss the peculiar transfer of the glucose oxocarbenium ion (Glc+) to positively charged guanidinium residue (ArgH+) and propose a mechanism for the gas-phase Amadori rearrangement involving a hydride ion shift.

A hybrid material, consisting of commercially available nitrocellulose (NC) membrane non-covalently modified with amino-polyethylene glycol functionalized reduced graphene oxide (NH2-PEG-rGO) nanoparticles, was successfully synthesized for oligonucleotide extraction. Fourier Transform Infrared Spectroscopy (FTIR) confirmed the modification of the NC membrane, revealing characteristic peaks of both compounds NC and NH2-PEG-rGO. Scanning Electron Microscopy (SEM) exhibited morphological changes in the NC/NH2-PEG-rGO hybrid membrane, marked by the introduction of NH2-PEG-rGO particles, resulting in a distinctly smothered surface compared to the porous surface of the NC control membrane. Wettability assays revealed hydrophobic behavior for the NC/NH2-PEG-rGO hybrid membrane, with a water contact angle exceeding 90°, contrasting with the hydrophilic behavior characterized by a 16.7° contact angle in the NC membrane. The performance of the NC/NH2-PEG-rGO hybrid membrane was evaluated for the extraction of ssDNA with fewer than 50 nucleotides from solutions containing various ionic species (MnCl2, MgCl2, and MnCl2/MgCl2). The NC/NH2-PEG-rGO hybrid membrane exhibited optimal performance when incubated in MgCl2, presenting the highest fluorescence emission at 525 relative fluorescence units (r.f.u.). This corresponds to the extraction of approximately 610 pg (≈13%) of the total oligo-DNA, underscoring the efficacy of the pristine material, which extracts 286 pg (≈6%) of oligo-DNA in complex solutions.

Demand for environmentally friendly types of energy is growing all over the world, which naturally increases the intensity of work on the production of hydrogen-containing fuel mixtures. Steam reforming of methanol is one of the most effective areas of research, as it is a process with low energy consumption. The results of steam reforming of methanol on the catalysts prepared by solution combustion synthesis (SCS) and impregnation by moisture capacity are presented. Investigation of the activity of Cu-Ce-Al catalysts of different composition was carried out for production of hydrogen and comparison of SCS with traditional impregnation method. Methanol conversion reaches 99%, while the selectivity of H2 was 88%, at 500 °C. It was found that CuAl2O4 spinel formation is due to substitution of Al3+ with Cu2+ Ce3+ cations. A consequence CuAl2O4 and CeAlO3 lattice parameters increase because of difference in ionic radius of Al3+ (0.53 Å) and Cu2+ (0.73 Å), Ce3+ (1.07 Å). Advantages of SCS catalysts in steam reforming of methanol were shown. The aim of this research is to develop a new catalyst for conversion of methanol into hydrogen containing fuel mixtures, which will further promote the organization of a new era of environmentally friendly energy-saving production methods.

Solvent free copolymerization of epoxides derived from fatty acid esters of waste cooking oil with phthalic anhydride using (salen)CrIII Cl as catalyst and n-Bu4NCl/DMAP as co-catalyst was carried out for the first time under microwave irradiation, where reaction time was reduced from number of hours to minutes. The polyesters were obtained with molecular weight (Mw = 3084-6740 g/mol) and dispersity values (D = 1.18-1.92), when (salen)CrIII Cl/n-Bu4NCl was used as catalysts. While in case of DMAP as a co-catalyst, polyesters with improved molecular weight (Mw = 5537-6925 g/mol) and narrow dispersity values (D = 1.07-1.28) were obtained even at reduced concentrations of (salen)CrIII Cl and DMAP. The obtained products were characterized and evaluated by attenuated total reflection-fourier transform infrared spectroscopy (ATR-FTIR), proton nuclear magnetic resonance (1H-NMR) spectroscopy, gel permeation chromatography (GPC) and thermogravimetric analysis (TGA) Techniques.

Three-dimensional V₂O₅ hollow structures have been prepared through a simple synthesis strategy combining solvothermal treatment and a subsequent thermal annealing. The V₂O₅ materials are composed of microspheres 2–3 μm in diameter and with a distinct hollow interior. The as-synthesized V₂O₅ hollow microspheres, when evaluated as a cathode material for lithium-ion batteries, can deliver a specific capacity as high as 273 mAh·g⁻¹ at 0.2 C. Benefiting from the hollow structures that afford fast electrolyte transport and volume accommodation, the V₂O₅ cathode also exhibits a superior rate capability and excellent cycling stability. The good Li-ion storage performance demonstrates the great potential of this unique V₂O₅ hollow material as a high-performance cathode for lithium-ion batteries.

This paper proposed three-dimensional numerical simulation method by coupling of electrostatic and fluid fields to evaluating the performance of electrical sensor in the concentration measurement of gas/solid two-phase flow. Compared with the static numerical simulation, this real-time dynamic 3-D simulation method can research on a designed capacitance sensor combining the dynamic characteristics of the two-phase flows for concentration measurement. Several fluid-electrostatic models of transmission pipes with different sensor structures are built. Under different test positions and different particle concentrations, the flow characteristics and the corresponding electric signals can be obtained, and the correlation coefficient between the concentration values and the capacitance values are used for performance evaluation of the sensors. The effects of flow regimes on concentration measurement are also been investigated in this paper. To validate the results of simulation, an experimental platform with horizontal straight pipe for phase volume concentration measurement of solid/air two-phase flow is built, and the experimental results agree well with simulation conclusions. The simulation and test results show that the coupling models can give constructive reference opinions for the sensor design and collection of installation position in different transmission pipelines, which are very important for the practical process of pneumatic conveying system.

Reducing CO2 emissions is urgently needed to slow down the impacts of climate change. CO2 capture using an amine solution has been developed and implemented on pilot and commercial scales. However, amine scrubbing, in particular, produces a lot of degraded solvent as waste and is energy intensive. Solid sorbents have been called to overcome those drawbacks. In this work, waste biomass-derived carbon materials were developed and tested for CO2 capture and conversion. Advanced thermal chemical processes i.e. hydrothermal and pyrolysis were applied to produce materials from agri-food waste such as soybean and okara. It was found that the number of functional groups (-C=O and -OH) in activated carbon appears in the synthesized materials, implying the generation of surface oxygenated groups. Preliminary results showed that the synthesized activated carbons are obtained with good yields, and a relatively high surface area, which may be applied as CO2 adsorption materials to solve the CO2 emission problems.

The research presented in the article is devoted to the study of the influence of phase compounds on the friability of the Fe-Si-Mn-Al complex alloy. The urgency of the problem lies in the development of technology for producing a non-scatterable alloy from manganese-containing ores and high-ash coals. The main goal of the work is to determine the range of alloy compositions and the resulting phases that affect the dispersibility of the alloy, which is critically important for its industrial implementation. Research methods include thermodynamic diagram analysis (TDA) using data on the standard enthalpy of formation of intermetallic compounds, as well as experimental tests in an ore-thermal electric furnace with a capacity of 200 kV*A. The results show that Fe-Si-Mn-Al complex alloys form a variety of silicide and aluminide phases, including intermetallic compounds and ternary systems, which is critical for understanding and controlling their physicochemical properties. When smelting a complex alloy, the content of leboite (Fe3Si7) in the Fe-Si-Mn-Al system plays a significant role. The development of smelting technology will be aimed at avoiding the FeSi2-Fe3Si7-F2(FeAl3Si2)-Mn11Si19 tetrahedron area. This approach to controlling the composition of a complex alloy is critical to ensuring its consistent friability properties in industrial applications. Thus, this work represents an important step in understanding the physical properties and stability of Fe-Si-Mn-Al complex alloys, which have potential for widespread use in metallurgical and other industrial applications.

This study explores the potential of titanium disulfide (TiS2) as an active material for aqueous calcium-ion batteries (CIBs). We investigate the electrochemical redox reactions of calcium ions within TiS2 and assess its suitability for use in aqueous CIBs. Additionally, we examine the im-pact of different electrolyte concentrations on TiS2 electrode reactions. Our findings reveal that TiS2 exhibits distinct charge-discharge behaviors in various aqueous calcium-ion electrolytes. Notably, at higher electrolyte concentrations, TiS2 effectively suppresses the hydrogen genera-tion reaction caused by water decomposition, demonstrating its potential as an active material for aqueous CIBs. In-situ X-ray diffraction analysis confirms the intercalation of Ca2+ ions be-tween TiS2 layers during charging. This confirmation is groundbreaking, as it represents the first experimental evidence of calcium ions being electrochemically inserted between TiS2 layers from aqueous solutions, signifying a previously unreported achievement and strongly suggesting TiS2's applicability in aqueous CIBs. X-ray photoelectron spectroscopy analysis further supports the formation of a solid electrolyte interphase (SEI) on the TiS2 electrode surface, contributing to the suppression of electrolyte decomposition reactions. Furthermore, we investigate the influ-ence of anions in the electrolyte on charge-discharge behavior. Our findings suggest that the choice of anion coordinated with Ca2+ ions affects SEI formation and cycling performance. Un-derstanding the role of anions in SEI formation is crucial for optimizing aqueous CIBs. In con-clusion, this research underscores TiS2's potential as an active material for aqueous calcium-ion batteries and emphasizes the importance of electrolyte composition in influencing SEI formation and battery performance. These findings contribute to the development of more sustainable and efficient energy storage technologies.

In this paper, the deformation and phase transformation of disorder α phase at (α + γ) two phase region in as-forged Ti-44Al-8Nb-(W, B, Y) alloy are investigated by hot compression and hot packed rolling. Detailed microstructural evolution demonstrates that the as-deformed microstructure is significantly affected by deformation conditions. The mircrostructure differences are mainly due to temperature drop and strain rate. The evolution of α lamelae into α grains is detailed descripted. Moreover, the disorder α lamellae can also be decomposed into some new α grains by the assisted decomposition mechanism of γ grains. Microstructure evolution model of current TiAl alloy at 1250 °C during hot rolling is built.

To enhance the applicability of dual-phase high-entropy alloys (HEAs) like Fe32Cr33Ni29Al3Ti3, fabricated via selective laser melting (SLM), a focus on improving their mechanical properties is essential. As part of this effort, heat treatment was explored. This study compares the microstructure and mechanical properties of the as-printed sample with those cooled in water after undergoing heat treatment at temperatures ranging from 1000 to 1200 ℃ for 1 hour. Both pre- and post-treatment samples reveal a dual-phase microstructure comprising FCC and BCC phases. Although heat treatment led to a reduction in tensile and yield strength, it significantly increased ductility compared to the as-printed sample. This strength-ductility trade-off is related to changes in grain sizes with ultrafine grains enhancing strength and micron grains optimizing ductility, also the influence of the content of FCC/BCC phases and dislocation density. In particular, the sample heat-treated at 1000 °C for 1 hour and then water-cooled exhibited a better combination of strength and ductility, a yield strength of 790 MPa, and an elongation of 13%. This research offers innovative perspectives on crafting dual-phase HEA of Fe32Cr33Ni29Al3Ti3, allowing for tailorable microstructure and mechanical properties through a synergistic approach involving SLM and heat treatment.

The accurate prediction of molecular properties such as lipophilicity and aqueous solubility are of great importance and pose challenges in several stages of the drug discovery pipeline. Machine learning methods like graph-based neural networks (GNNs) have shown exceptionally good performance in predicting these properties. In this work, we introduce a novel GNN architecture, called directed edge graph isomorphism network (D-GIN). It is composed of two distinct sub-architectures (D-MPNN, GIN) and achieves an improvement in accuracy over its sub-architectures employing various learning, and featurization strategies. We argue that combining models with different key aspects help make graph neural networks deeper and simultaneously increase their predictive power. Furthermore, we address current limitations in assessment of deep-learning models, namely, comparison of single training run performance metrics, and offer a more robust solution.

The increasing popularity of porphyrins and hydroporphyrins for application in a variety of biomedical (photodynamic therapy, fluorescence tagging and imaging, photoacoustic imaging) and technical (chemosensing, catalysis, light harvesting) applications is also associated with the growing number of methodologies that enable their solubilization in aqueous media. Natively, the vast majority of synthetic porphyrinic compounds are not water-soluble. Moreover, any water-solubility imposes several restrictions on the synthetic chemist on when to install solubilizing groups in the synthetic sequence, and how to isolate and purify these compounds. This review summarizes the chemical modifications to render synthetic porphyrins water-soluble, with a focus on the work since 2000. Where available, practical data such as solubility, indicators for the degree of aggregation, and special notes for the practicioner are listed. We hope that this review will guide synthetic chemists through the many strategies known to make porphyrins and hydroporphyrins water soluble.

This paper introduces the complex Rayleigh-van der Pol-Duffing oscillators (RVDOs), which are hyperchaotic and can be either autonomous or non-autonomous. The fundamental dynamics of the autonomous and nonautonomous complex RVDOs including dissipation, symmetry, fixed points and their stability are studied. These oscillators are found in various important fields of physics and engineering. The paper proposes a scheme to achieve phase synchronization (PS) and antiphase synchronization (APS) for different dimensional models. These kinds of synchronization are considered as generalization of several other types of synchronization. For this scheme we use the active control method based on Lyapunov stability theory. By analytically determining the control functions, the scheme achieved PS and APS. Our scheme is applied to study PS of hyperchaotic behaviours for two distinct hyperchaotic non-autonomous and autonomous complex RVDOs. Additionally, the scheme is employed to achieve APS of chaotic real non-autonomous RVDO and hyperchaotic complex autonomous RVDO, including those with different dimensions. Our work presents numerical results that plot the amplitudes and phases of these hyperchaotic behaviours, demonstrating the successful achievement of PS and APS.

This paper presents the work done to transition the lab scale synthesis (1 g) to a large scale (400 g) synthesis of the 3-5-diamino-1H-Pyrazole Disperazol; a new pharmaceutical for treatment of antibiotic resistant Pseudomonas aeruginosa biofilm infections. The potentially hazardous diazotisation step in the lab scale synthesis was transformed to a safe and easy to handle flow chemistry step. Additionally, the paper presents an OSHA recommended safety assessment of the active compound E, performed by Fauske and Associates, LLC.

Duplex Stainless Steels (DSS) and Superduplex Stainless Steels (SDSS) are an important class of stainless steels because they combine the benefits of austenite and ferrite phases, resulting in steels with better mechanical properties and higher corrosion resistance. Due to these characteristics are widely employed in various industries. However, the appearance of deleterious phases in their microstructure impairs the properties of DSS and SDSS. Among the deleterious phases, the main one is the sigma phase (σ), which can be nucleated when the steel is exposed to the temperature range between 650 °C and 900 °C, reducing its toughness and resistance to corrosion. In a previous work, Fonseca and collaborators used two descriptors of the microstructural path to analyze the formation of sigma phase (σ), SV, interfacial area per unit volume between sigma phase and austenite, and <λ>, mean chord length of sigma, both in function of the VV, volume fraction of sigma, known in the literature as microstructural partial path (MP). In this work, the contiguity ratio is applied for the first time to describe the microstructural path in the study of sigma phase precipitation in SDSS. The contiguity ratio showed that the distribution of the ferrite/sigma boundaries is homogeneous. Thus, it is reasonable to infer that one has a uniform distribution of sigma phase nuclei within the ferrite. About the kinetics of sigma phase formation, the DSS can be described by the classical JMAK equation, whereas for the SDSS, the kinetics tends to follow the Cahn model for grain edge nucleation. Finally, we present the 3D reconstruction of the sigma phase in SDSS. The results demonstrate that the sigma phase nucleates at the edges of the ferrite/austenite interfaces. Moreover, the sigma phase grows consuming the ferrite, but it is not fully interconnected.

Rice prolamins are categorized into three groups by molecular size (10, 13, or 16 kDa), while the 13 kDa prolamins are assigned to four subgroups (Pro13a-I, Pro13a-II, Pro13b-I, and Pro13b-II) based on cysteine residue content. Here, we generated four knockout strains of rice using CRISPR-Cas9, each of which demonstrated selectively reduced expression of specific subgroups of the 13 kDa prolamins. These four mutant rice lines also demonstrated compensatory expression of glutelins and non-targeted prolamins, which resulted in low grain weight, altered starch content and atypically-shaped starch granules and protein bodies. Transcriptome analysis identified 746 transcripts that were differentially expressed in the mutant rice lines during development. These transcripts played roles primarily in RNA processing, protein synthesis, stress response, and transport. After selective suppression/knockout of genes in the Pro13a-I subgroup, compensatory upregulation of genes in the Pro13a-II and Pro13b-I/II subgroups was observed. Compensatory expression of 9 ER stress and 17 transcription factor genes was also observed in mutant rice in which expression of 13 kDa prolamin genes was suppressed. Our results provide valuable insight into the regulatory mechanisms underlying rice seed development and the specific roles played by 13 kDa rice prolamins and their target genes.

The targeted compounds in this research, resveratrol analogs 1–14 were synthesized as mixtures of isomers by the Wittig reaction using heterocyclic triphenylphosphonium salts and various benzaldehydes. The planned compounds were those possessing the trans-configuration as the biologically active trans-resveratrol. The pure isomers were obtained by repeated column chromatography in various isolated yields depending on the heteroaromatic ring. It was found that butyrylcholinesterase (BChE) was more sensitive to the heteroaromatic resveratrol analogs than acetylcholinesterase (AChE), except for 6, the methylated thiophene derivative with chlorine, which showed equal inhibition toward both enzymes. Compounds 5 and 8 achieved the highest BChE inhibition with IC50 values of 22.9 and 24.8 μM, respectively. The same as with AChE and BChE, methylated thiophene subunits of resveratrol analogs showed better enzyme inhibition than unmethylated ones. Two antioxidant spectrophotometric methods, DPPH and CUPRAC, were applied to determine the antioxidant potential of new heteroaromatic resveratrol analogs. Molecular docking of these compounds was conducted to visualize the ligand-active site complexes' structure and identify the non-covalent interactions responsible for the complex's stability, which influence the inhibitory potential. As ADME properties are crucial in developing drug product formulations, they have also been addressed in this work. The potential genotoxicity is evaluated by in silico studies for all compounds synthesized.

Background: The study demonstrates the sustainable synthesis of translucent zinc oxide (ZnO) nanowires using Moringa seed extract, highlighting eco-friendly and sustainable approaches. Methods: Characterization techniques such as X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), energy dispersive spectroscopy (EDS), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS) confirmed the formation of ZnO nanostructures with diverse morphologies, including nanowires and spherical clusters. Results: The synthesized ZnO nanowires exhibited remarkable photocatalytic activity, achieving over 89% degradation efficiency of methylene blue (MB) under UV light within 80 minutes, demonstrating their potential for wastewater treatment applications. Conclusions: The research findings support Sustainable Development Goals (SDGs) related to clean water, climate action, and life below water and on land, highlighting the role of eco-friendly nanostructures in environmental remediation. The dual advantage of Moringa seed extract, providing both a sustainable synthesis route and health benefits due to its rich content of vitamins and phytochemicals, underscores the potential of integrating natural resources in nanotechnology for environmental and health applications.

Oxidation of a mixture of nonlabelled (14N2H4) and 15N labeled (15N2H4) hydrazine in aqueous solutions produces 14N15N molecules, indicating the intermediate existence of N4H6 or N4H4 dimers with subsequent transfers of H atoms and splitting of lateral N-N bonds. To explain the key part of hydrazine oxidation reaction, the structures, thermodynamics, and electron characteristics of N4H4 molecules in aqueous solution are investigated at CCSD/cc-pVTZ level of theory. We have not found any spontaneous splitting of the bond between lateral nitrogen atoms in tetrazenes N4H4 during geometry optimization. The most probable N4H4 oxidation products are H2N-NH2 and N2, which are obtained by splitting the bond between central nitrogen atoms and so only 15N2 and 14N2 molecules are formed. Additionally, the formation of H3N-NH and N2 oxidation products is also preferred to structures without any N-N fissions. The formation of H2N=N and HN=NH reaction products is energetically less advantageous. Cyclo-N4H4 structures are stable, without any N-N fissions, but their very high Gibbs energies indicate their vanishing abundance in aqueous solution, so their involvement in hydrazine oxidation is highly improbable. Hydrazine oxidation to 14N15N molecules cannot be explained by tetrazene N4H4 intermediates.

A mixture of nonlabeled (14N2H4) and 15N labeled hydrazine (15N2H4) in an aqueous solution is oxidized to 15N2, 14N2, and 14N15N molecules, indicating the intermediate existence of the 14NH2-14NH-15NH-15NH2 with subsequent hydrogen transfers and splitting of side N-N bonds. Structures, thermodynamics, and electron characteristics of various N4H6 molecules in aqueous solutions are investigated using theoretical treatment at the CCSD/cc-pVTZ level of theory to explain the crucial part of the hydrazine oxidation reaction. Most N4H6 structures in aqueous solutions are decomposed during geometry optimization. Splitting the bond between central nitrogen atoms is the most frequent, but the breakaway of the side nitrogen is energetically the most preferred. The N-N fissions are enabled by suitable hydrogen rearrangements. Gibbs free energy data indicate the dominant abundance of NH3... N2... NH3 species. The side N atoms have very high negative charges, which should support hydrogen transfers in aqueous solutions. The only stable cyclo-(NH)4…H2 structure has a too high Gibbs energy and breaks the H2 molecule. The remaining initial cyclic structures are split into hydrazine and HN≡NH or H2N≡N species, and their relative abundance in aqueous solutions is vanishing.

The objective of this work was to investigate the deacidification of bio-oils (BOs) from triglyceride-based biomass through the application of liquid-liquid extraction (LLE) in a simple stage, using methanol and water as a binary solvent and feed/solvent ratio of 1/1. For this, the effects of process parameters such as the water content present in the solvent, the content of carboxylic acids present in the bio-oil, and the extraction temperature on the deacidification process through the efficiency and distribution coefficient were evaluated, as well as the effects of such parameters on the quality of deacidified bio-oils through physical-chemical analyzes and GC-MS analysis. The results show that such process parameters significantly affect the quality of deacidified bio-oils. The ideal condition to have the highest acid removal, i.e., the highest deacidification efficiency (72.65%), is the one in which the deacidification process is performed with aqueous methanol (5% water) at 35 °C and for BOs that have a total acid number (TAN) equal to 24.38 mg KOH/g. Therefore, the process of deacidification by LLE using aqueous methanol is a promising alternative for removing carboxylic acids and other oxygenated compounds, contributing significantly to the upgrading or improving biofuels produced by catalytic thermal cracking.

Atmospheric pressure Microplasma is a simple, cost-effective, efficient, and eco-friendly procedure, which is superior to the traditional nanomaterials synthesis techniques. It generates high yields and allows for a controlled growth rate and morphology of nanomaterials. The silver (Ag) nanomaterials, with their unique physical and chemical properties, exhibit outstanding antibacterial and anti-fungal properties. Similarly, zinc oxide (ZnO) nanomaterials, known for their low toxicity and relatively lower cost, find wide applications in wound repair, bone healing, and antibacterial and anticancer applications. The use of core-shell nanomaterials in certain situations where some nanoparticles can cause serious harm to host tissues or organs is a testament to their potential. A benign material is coated over the core to reduce toxicity in these cases. This review compares the numerous configurations of microplasma systems used for synthesizing nanomaterials and their use in producing Ag, ZnO, and their core-shell (Ag-ZnO) nanomaterials for biomedical applications. The summary also includes the effect of control parameters, including cathode diameter, gas flow rate, precursor concentration, voltage, and current, on the nanomaterial's characteristics and applications. In addition, it provides a research gap in the synthesis of Ag, ZnO, and core shall nanomaterials by this technique, as well as the development and limitations of this technique and the use of these nanoparticles for biomedical applications.

In order to study the adsorption process and adsorption characteristics of shale oil at the macro scale, the isothermal adsorption experiments of illite and kerogen on heptadecane (oil phase) solution were carried out by infrared spectrophotometry and gas chromatography-mass spectrometry. The reaction mechanism of alkane solution concentration and temperature in the adsorption process was investigated. The adsorption characteristics of heptadecane on the surface and pores of illite and kerogen were elucidated by adsorption isotherm model and adsorption thermodynamic model. The results show that: The concentration of alkane solution contributes to the adsorption of illite and kerogen. As the concentration of the solution continues to increase, the adsorption rate gradually slows down. However, the temperature hardly affects the adsorption rate. At 25℃, 50℃ and 60℃, the adsorption process of illite on alkane solution is more consistent with Langmuir model and Freundlich model, respectively. The difference is that Langmuir model is suitable for describing the whole adsorption process of kerogen on alkane solution. 3) The adsorption process of illite and kerogen to heptadecane solution is an endothermic reaction. Heating helps to accelerate the migration rate of alkanes, which is conducive to the adsorption reaction. The research results clarify the adsorption characteristics of shale oil heavy components from the macro level, and fill the research gap in the application of solid-liquid isothermal adsorption physical experiments to the adsorption and occurrence of shale oil.

Background: Despite advances in the treatment of hepatocellular carcinoma (HCC) over the last few decades, treatment opportunities for patients with HCC remain limited. HCC is the most common form of liver cancer, accounting for approximately 90% of all cases worldwide. Moreover, apart from the current pharmacological interventions, hepatic resection and liver transplantation are the mainstay curative approaches for patients with HCC. Methods: This systematic review included phase I, II, III, and IV clinical trials (CTs) and randomized controlled trials (RCTs) on current treatments for patients with HCC in an Asian population (2013–2023). A total of 427 articles were screened, and 184 non-duplicate publications were identified. After screening titles and abstracts, 96 publications were excluded, and another 28 were excluded after full-text screening. The remaining 60 eligible RCTs/CTs were finally included. Results: Sixty clinical trials fulfilled our inclusion criteria and screened 36 drugs as monotherapy or combination therapy for HCC. Most studies used sorafenib alone or in combination with any of the treatment regimens. Lenvatinib or atezolizumab with bevacizumab was used for HCC after initial sorafenib treatment. Eighteen studies compared the efficacy of sorafenib with that of other drugs, including lenvatinib, cabozantinib, tepotinib, tigatuzumab, linifanib, erlotinib, resminostat, brivanib, tislelizumab, selumetinib, and refametinib. Conclusion: This study provides comprehensive insights into effective treatment interventions for HCC in Asian populations. The overall assessment indicated that sorafenib alone or in combination with atezolizumab and bevacizumab has been the first treatment choice in the past decade to achieve better outcomes in patients with HCC in an Asian population

Owing to its properties, boron carbide has been applied in scientific and industrial fields. For this reason, B4C powders should be characterized by high purity and homogeneity in grain size and shape. In this study, boron carbide was prepared using precursors obtained by a hydrothermal method, and the grain morphology of the product was investigated. Boric acid and the saccharides glucose, fructose, inulin, and sorbitol were used as the precursors. Two precursor dehydration methods, freeze-drying and recrystallization, were compared. The precursors were subjected to DLS grain size and FT-IR spectrophotometric studies, and SEM observations of the precursors and products were performed, confirming that boron carbide powders with submicron spherical grains could be successfully synthesized.

A four-step synthesis of bifunctional, noncovalent organocatalysts based on the chiral (1R,2R)-cyclohexane-1,2-diamine scaffold containing a 1,2-benzenediamine H-bond donor was developed. Nucleophilic aromatic substitution of the 2-fluoronitrobenzene derivative with the commercial (1R,2R)-cyclohexane-1,2-diamine was followed by selective alkylation of the primary amino group, reduction of the aromatic nitro group and final derivatization of the primary aromatic amino group, i.e. acylation, sulfonation, reductive alkylation and arylation, leading to the four subtypes of organocatalysts. All new compounds were fully characterized. The prepared organocatalysts (32 examples) were tested in the Michael addition of acetylacetone to trans-β-nitrostyrene, yielding the addition product with incomplete conversions (up to 93%) and enantioselectivities of up to 41% ee.

Calcium phosphates and manganese phosphates play a significant role in biomedical and engineering applications, and these compounds are both synergistic. These compounds could have great potential for use in different applications, particularly as precursors of biomaterials. Therefore, the aim of this study was to explore the effect of the gradual replacement of Ca2+ with Mn2+ on the phase composition and crystal structure of brushite (CaHPO4·2H2O), which could be useful for the production of Mono- and Biphasic Ca1−xMnxHPO4·nH2O Compounds. In order to prepare the starting solutions required for this study, Ca(NO3)2·4H2O, (NH4)2·HPO4, and Mn(NO3)2·4H2O were used at various molar concentrations. Afterwards, the Ca1−xMnxHPO4·nH2O compounds were prepared using dissolution and precipitation methods. These compounds were characterized using XRD, SEM, FT-IR, XPS, and TGA techniques. The findings revealed that Mn substituted Ca partially at low Mn/Ca molar ratios, 0.25, and Mn doping increased the unit cell of CaHPO4·2H2O. The produced biphasic compound was composed of monoclinic CaHPO4·2H2O and nanostructured orthorhombic MnHPO4·(H2O)3 after a continuous increase in the Mn/Ca molar ratio to 1.5. When the Ca/Mn molar ratio was above 1.5, a monophasic compound of the MnHPO4·(H2O)3 phase was formed. The MnHPO4·(H2O)3 compound was successfully prepared for the first time using this dissolution-precipitation method. It was also established that the Mn/Ca ratio of the starting solution can be modified to produce CaHPO4·2H2O and MnHPO4·(H2O)3 phases with specific weight percent compositions.

In recent years, bacterial resistance to conventional antibiotics has become a major concern in the medical field. The global misuse of antibiotics in clinics, personal use, and agriculture has accelerated this resistance, making infections increasingly difficult to treat and rendering new antibiotics ineffective more quickly. Finding new antibiotics is challenging due to the complexity of bacterial mechanisms, high costs and low financial incentives for the development of new molecular scaffolds, and stringent regulatory requirements. Additionally, innovation has slowed, with many new antibiotics being modifications of existing drugs rather than entirely new classes. Antimicrobial peptides (AMPs) are a valid alternative to small molecule antibiotics offering several advantages, including broad-spectrum activity and a lower likelihood of inducing resistance due to their multifaceted mechanisms of action. However, AMPs face challenges such as stability issues in physiological conditions, potential toxicity to human cells, high production costs, and difficulties in large-scale manufacturing. A reliable strategy to overcome the drawbacks associate with the use of small molecule antibiotics and AMPs is the combination therapy, namely the simultaneous co-administration of two or more antibiotics or the synthesis of covalently linked conjugates. This review is intended to cover and critically analyze the design, synthetic strategies, antibacterial activity and, when possible, the cytotoxicity of antibiotic-AMPs conjugates.

During the last years there has been a high interest in the development of new purely-organic single-component conductors. Very recently, we have reported a new neutral radical conductor based on the perchlorotriphenylmethyl (PTM) radical moiety linked to a monopyrrolo-tetrathiafulvalene (MPTTF) unit by a -conjugated bridge (1). Interestingly, this system behaves as a semiconductor with high conductivity and small energy gap under high pressure. With the aim of developing a new material with improved conducting properties, we have designed and synthesized the radical dyad 2 which was functionalized with an ethylenedithio (EDT) group in order to improve the intermolecular interactions of the TTF subunits. The physical properties of the new radical dyad 2 were studied in detail in solution to further analyze its electronic structure as well as its potential use as radical conductor in the solid state.

No matter where we reside, the issue of greenhouse gas emissions impacts us all. Their influence has a disastrous effect on the earth's climate, producing global warming and many other irreversible environmental impacts, even though it is occasionally invisible to the independent eye. Phase change materials (PCMs) can store and release heat when it is abundant during the day (e.g., from solar radiation), for use at night, or on chilly days when the building needs to be heated. As a consequence, buildings use less energy to heat and cool, which lowers greenhouse gas emissions. Consequently, research on thermally active medium-density fiberboard (MDF) with PCMs is presented in this work. MDF is useful for interior design and furniture manufacturing. The boards were created using pine (Pinus sylvestris L.) and spruce (Picea abies L.) fibers, urea-formaldehyde resin, and PCM powder, with a phase transition temperature of 22 oC, density of 785 kg m−3, the latent heat capacity of 160 kJ kg−1, the volumetric heat capacity of 126 MJ m−3, the specific heat capacity of 2.2 kJ kgK−1, the thermal conductivity of 0.18 W mK−1, and a maximum operating temperature of 200 °C. Five variants of MDF with PCM additive were developed: 0%, 5%, 10%, 30%, and 50%. According to the study, scores at the MOR, MOE, IB, and Screw Withdrawal Resistance (SWR) tests decreased when PCM content was added. However, the results of the thickness swelling and water absorption tests indicate that the PCM particles do not exhibit a substantial capacity to absorb water, retaining the dimensional stability of the MDF boards. The panel's thermal characteristics improved with increasing PCM concentration, according to the data. The density profiles of all the variations under consideration had a somewhat U-shaped appearance; however, the version with a 50% PCM content had a flatter form and no obvious layer compaction on the panel surface. Therefore, certain of the mechanical and physical characteristics of the manufactured panels can be enhanced by a well-chosen PCM addition.

The DEAD-box RNA helicase DDX3X is a multifunctional protein involved in RNA metabolism and stress responses. In this study, we investigated the role of RG/RGG motifs in the dynamic process of liquid-liquid phase separation (LLPS) of DDX3X using cell-free assays and explored their potential link to cancer development through bioinformatic analysis. Our results demonstrate that the number, location, and composition of RG/RGG motifs significantly influence the ability of DDX3X to undergo phase separation and form self-aggregates. Mutational analysis revealed that the spacing between RG/RGG motifs and the number of glycine residues within each motif are critical factors in determining the extent of phase separation. Bioinformatic analysis of cancer genomic datasets uncovered a significant enrichment of DDX3X mutations in RG/RGG motifs across multiple cancer types, particularly in the N-terminal region of the protein. Furthermore, we found that DDX3X is co-expressed with the stress granule protein G3BP1 in several cancer types and can undergo co-phase separation with G3BP1 in a cell-free system, suggesting a potential functional interaction between these proteins in phase-separated structures. DDX3X and G3BP1 may interact through their RG/RGG domains and subsequently exert important cellular functions under stress situation. Collectively, our findings provide novel insights into the role of RG/RGG motifs in modulating DDX3X phase separation and their potential contribution to cancer pathogenesis.

Medicinal plants produce various bioactive molecules with potential anticancer properties with favorable safety profiles. We investigated the comprehensive composition of Vernonia amygdalina leaf extract and its cytotoxic effects via apoptosis in HeLa cells. The metabolomics approach was conducted to gather the metabolite profile of the extract. Proteomics was performed to understand the comprehensive mechanistic pathways of action. The apoptosis was visualized by cellular staining and the apoptotic proteins were evaluated. V. amygdalina leaf extract exhibited dose-dependent cytotoxic effects on both HeLa and Vero cells after 24 h of exposure, however, a higher concentration was required for Vero cells cytotoxicity. The metabolomic profile indicated that majority of metabolites were alkaloids, phenolic compounds, and steroids. The cytotoxic pathways involved the response to stress and cell death which was similar to doxorubicin. The upstream regulatory proteins, PTEN and XBP1, were significantly altered supporting the regulation of apoptosis and cell death. The levels of apoptotic proteins, JNK, p53, and caspase-9 were significantly increased. These provided strong evidence that V. amygdalina leaf extract related to the induction of apoptosis and highlighted its potential for the development of chemotherapy.