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The species Yarrowia lipolytica is an aerobic yeast that produces different lipase isoforms, including extracellular, intracellular, and membrane-bound ones. The immobilization of lipases, such as those from Y. lipolytica, increases enzyme stability and lowers operational costs, through its reuse. The characterization of those biocatalysts is highly important to orientate their technological applications. The present work aims to obtain different Y. lipolytica lipases, through fermentation and immobilization techniques, and to evaluate the ester synthesis and hydrolysis activity of these biocatalysts in comparison to a commercial lipase produced by Candida rugosa and test them for phytosterol ester production. High immobilization yield was achieved by microencapsulating Y. lipolytica lipase extract on magnetic nanoparticles (>99.7%). However, immobilization significantly reduced their activity (more than 90%). Lipases from Y. lipolytica showed greater 4-nitrophenyl laurate synthesis in relation to the lipase from C. rugosa. However, C. rugosa lipase was still the best biocatalyst for β-sitosterol oleate synthesis, with a conversion of more than 99%. Y. lipolytica lipases can be good catalysts for ester hydrolysis reactions, even for ester synthesis, but are not good catalysts specifically for phytosterol esters synthesis. Full article

This study focuses on the collection and UV characterization of the bio-oil phase from primary aerosols ejected from the liquid intermediate phase during the fast pyrolysis of biomass in a hot plate reactor. The effects of the reactor pressure and aerosol-collecting surface temperature on the bio-oil yield and characteristics were evaluated. The study found that lower reactor pressures and a lower temperature of the collecting surface significantly enhanced the aerosol yield (up to 85%). UV-fluorescence was employed to assess the influence of these parameters on the light-to-heavy compound ratio (monomers vs. oligomers). The heavy fraction of bio-oil from the hot plate reactor was predominantly composed of dimers and trimers (340–370 nm), similar to pyrolytic lignin and the heavy fraction of the bio-oil, which also showed peaks in this range. In contrast, pyrolysis oils from auger and fluidized bed reactors displayed two peaks in the UV spectrum, with a maximum around 300 nm, indicating that they are mainly composed of light monomeric compounds. The UV characterization of the primary aerosols and the comparison with the UV spectra of the bio-oil and its fractions (light and heavy fraction and pyrolignin) revealed similar UV prints, highlighting the importance of aerosol ejection in the final composition of bio-oil. Full article

Organic dyes such as methylene blue (MB) and rhodamine 6G (Rh 6G), when dissolved in water, pose a serious threat to the environment, humans, and aquatic life. In this study, we report the synthesis of Fe-doped ZnCuInS/ZnS core/shell quantum dots (FeZCIS/ZnS QDs) in aqueous solution by varying the iron concentrations (0%, 1%, 3%, 5%, 7%, and 10%) for the instant removal of these organic pollutants in contaminated water. The as-synthesized FeZCIS/ZnS QDs were negatively charged and spherical in shape with a diameter of 2.97 nm ± 0.73 nm. Furthermore, it showed improved quantum yield (QYs) compared to the undoped with an average lifetime of 37.15 ns (3% Fe-doped QDs). The undoped ZCIS/ZnS QDs showed percentage removal efficiency of 94.42% and 93.97% for MB and Rh 6G in contaminated deionized water, respectively, and 90.73% (MB) and 1.28% (Rh 6G), respectively, in contaminated rivers. However, the 3% FeZCIS/ZnS QDs showed a percentage removal efficiency of 99.94% and 95.79% for MB and Rh 6G in contaminated deionized water, respectively, and 91.42% and 11.11%, respectively, in rivers contaminated with the dyes. Increasing the concentration of the nanocatalyst to 4 mg/mL improved the removal efficiency of Rh 6G in contaminated rivers to 93.28% and 94.40% using ZCIS/ZnS QDs and FeZCIS/ZnS QDs, respectively. Full article

This study uses the application of Pinch analysis to optimize an integrated electrolyzer and methanation system, a promising approach for producing green hydrogen and synthetic natural gas (SNG). By leveraging renewable energy sources, such as wind and solar, electrolysis is used to produce hydrogen, which reacts with captured carbon dioxide in the methanation reactor to form methane. This process not only allows for efficient energy storage but also supports the reduction of greenhouse gas emissions. A key focus of this study is the optimization of thermal energy flows within the system, which has not been extensively addressed in the literature. Pinch analysis was applied to identify the critical Pinch point, which revealed the temperature at which the most efficient heat recovery could be achieved. The design of a tailored heat exchanger network led to significant improvements, including a 66.45% reduction in hot utility consumption and an 18.85% reduction in cold utility demand. Overall, the system achieved global energy savings of 31.02%. These results were compared with the existing literature, demonstrating that our approach offers comparable or superior utility savings while addressing challenges, such as the complexity of chemical reactions and system integration. This research highlights the potential for substantial operational cost reductions and increasing sustainability in industrial applications, contributing to the advancement of renewable energy technologies and the decarbonization of energy systems. Full article

Despite multiple advances in treatment and prevention, cancer remains one of the leading causes of death worldwide. Chemotherapy remains the most effective method for cancer treatment. However, commercial chemotherapeutic drugs have limited efficacy, severe side effects, and acquired resistance. Therefore, the scientific community has devoted a great effort to designing new, more effective, and cheaper drugs. In this sense, copper-catalyzed azide-alkyne cycloaddition reactions (CuAAC) provide 1,4-disubstituted 1H-1,2,3-triazoles in high yields without forming by-products. This reaction allows the easy, efficient, functional, ordered, rapid, selective, and specific joining of small molecules, giving rise to more complex molecules. The CuACC reaction simplifies the synthesis processes, accelerating the discovery of new chemotherapeutic agents by allowing the joining of commercial platinum drugs, slightly altering their structure, or creating new molecules with improved properties. This work shows the importance of CuAAC reactions in the search for new metallodrugs with possible anticancer activity. Full article

This work reports the synthesis of aminoazobenzene compounds derived from 3,5-dimethylaniline (1a–1f) via a diazo-coupling reaction with aromatic amines. These aminoazobenzenes were acylated with maleic anhydride to obtain the corresponding maleimides (2a–2f). The maleimides were then used as dienophiles in a Dies–Alder cycloaddition reaction with furan as the diene, yielding the adducts (3a–3f). All synthesized compounds were characterized using FTIR, ¹H, and ¹³C NMR spectroscopy. Additionally, electrochemical studies using cyclic voltammetry were conducted to determine the oxidation–reduction reactions present in the compounds. Full article

The alkylation reaction of aromatic compounds gains considerable attention because of its wide application in bulk and fine chemical production. Aromatics alkylated with olefins is a well-known process, particularly for linear alkylbenzene, phenyloctanes, and heptyltoluene production. As octane boosters and precursors for various petrochemical and bulk chemical products, a wide range of alkylated compounds are in high demand. Numerous unique structures have been proposed in addition to the usual zeolites (Y and beta) utilized in alkylation procedures. The inevitable deactivation of industrial catalysts over time on stream, which is followed by a decrease in catalytic activity and product selectivity, is one of their disadvantages. Therefore, careful consideration of catalyst deactivation regarding the setup and functioning of the process of catalysis is necessary. Although a lot of work has been carried out to date to prevent coke and increase catalyst lifespan, deactivation of the catalyst is still unavoidable. Coke deposition can lead to catalyst deactivation in industrial catalytic processes by obstructing pores and/or covering acid sites. It is very desirable to regenerate inactive catalysts in order to remove the coke and restore catalytic activity at the same time. Depending on the kind of catalyst, the deactivation processes, and the regeneration settings, each regeneration approach has pros and cons. In this comprehensive study, the focus was on discussing the reaction mechanism of 1-octene isomerization and toluene alkylation as an example of isomerization and alkylation reactions that occur simultaneously, shedding light in detail on the catalysts used for this type of complex reaction, taking into account the challenges facing the catalyst deactivation and reactivation procedures. Full article

Furfural is one of the main pollutant materials in petroleum refinery wastewater. This work used an ozonized bubble column reactor to remove furfural from wastewater. The reactor applied two shapes of packing materials and two dosages of CuO nanocatalyst (0.05 and 0.1 ppm) to enhance the degradation process. The results indicated that adding 0.1 ppm of nanocatalyst provided an efficient rate of furfural degradation compared to that of 0.05 ppm. Also, the packing materials enhanced the furfural degradation significantly. As a result, the contact area between the gas and liquid phases increased, and a high furfural removal efficiency was achieved. It was found that the CuO nanocatalyst generated more (OH•) radicals. At a treatment time of 120 min and an ozone flow of 40 L/h, the furfural degradation recorded values of 80.66 and 78.6% at 10 and 20 ppm of initial concentration, respectively. At 60 ppm, the degradation efficiency did not exceed 74.16%. Furthermore, the kinetic study indicated that the first-order mechanism is more favorable than the second-order mechanism, representing the furfural degradation with a correlation factor of 0.9837. Finally, the furfural reaction can be achieved successfully in a shorter time and at low cost. Full article

A synthetic approach to prepare boron-enriched π-conjugated photoactive molecular systems based on ortho-carborane using the Cu(I)-catalyzed Sonogashira-type coupling reaction has been developed. The obtained luminophores have been found to possess absorption in the range of 300 to 400 nm, emission of up to 700 nm, and photoluminescence quantum yields of up to 99% in non-polar solvents. TD-DFT calculations have demonstrated that the luminophores are characterized by phosphorescent emission behavior with a lifetime of about 7 μs. In addition, the rigidochromism for the synthesized compounds has been revealed; particularly, the transition electronic state and bathochromic shift have been elucidated in the emission spectra. The exhibited luminescent characteristics indicate that the elaborated vinylcarborane fluorophores could be considered as promising building blocks in the design of advanced photofunctional materials for molecular electronics. Full article

The pine caterpillar, Dendrolimus punctatus (Walker), is a notorious forest pest. An efficient and convenient synthesis of the sex pheromones of this pest has been achieved. In our synthetic approach, a Wittig coupling of an aldehyde with an ester-bearing phosphonium salt was used to construct the Z-alkene, whereas the E-alkene was prepared via a stereoselective reduction of an alkyne with LiAlH₄. The synthetic sex pheromones would be useful for integrated pest management of the pine caterpillar. Full article

This paper discusses significant advancements in using lignocellulosic biomass for the sustainable production of biofuels and chemicals. As fossil-based resources decline and environmental concerns rise, the paper emphasizes the role of integrated biorefineries in producing renewable liquid fuels and high-value chemicals from biomass. It highlights exploring various green pathways for biomass conversion, with a particular focus on nanocatalysis. Due to their large surface area-to-volume ratio, nanocatalysts provide enhanced catalytic activity and efficiency in biomass transformation processes. The review delves into the synthesis of value-added and furfural platform chemicals alongside the hydrogenolysis of 5-hydroxymethylfurfural (5-HMF) into biofuels like 2,5-dimethylfuran (DMF) and 2,5-dimethyltetrahydrofuran (DMTHF). The paper ultimately underscores the importance of nanotechnology in achieving high yield and selectivity in the biomass conversion process, positioning it as a promising approach for future sustainable energy and chemical production. Full article

The objective of this study was to examine the catalytic pyrolysis process of three distinct types of biomasses: baru endocarp (ENB), macaúba endocarp (ENM), and macaúba epicarp (EPM). This was performed with the aim of optimizing the production of hydrocarbons and other volatile compounds of interest through the use of different catalysts. The catalysts utilized in this study were calcium oxide (CaO), phosphate mining waste (PO), niobium pentoxide (Nb₂O₅), and Ni/Nb₂O₅. The methodology entailed pyrolyzing the biomass at temperatures spanning from 508 °C to 791 °C, utilizing a micropyrolyzer in conjunction with a gas chromatograph with mass spectrometry (GC/MS) for product analysis. An experimental design was implemented to assess the impact of catalyst concentration and temperature on the yield and composition of the volatile products. The findings demonstrated that CaO was efficacious in deoxygenating the compounds, particularly at elevated temperatures, thereby promoting the generation of saturated and unsaturated hydrocarbons. In contrast, Nb₂O₅ was effective in the formation of oxygenated compounds, particularly carboxylic acids and phenols. Ni/Nb₂O₅ has been shown to be effective in the production of cyclic, aromatic, alkadienes, and alkenes hydrocarbons. Phosphate mining waste exhibited moderate performance, with potential for specific applications at high temperatures, with important production of cyclic, aromatic, and alkane hydrocarbons. Among the biomasses, EPM demonstrated the greatest potential for hydrocarbon production, indicating its suitability for the development of advanced biofuels. This study advances our understanding of the catalytic pyrolysis of alternative biomasses and underscores the pivotal role of catalysts in optimizing the process, offering invaluable insights for the sustainable production of biofuels and interest in renewable chemicals. Full article

Flow chemistry has shown significant versatility over the last two decades, offering advantages in efficiency, scalability, and sustainability. In this study, the continuous stirred tank reactor (CSTR) was used to optimise the synthesis of α-hydroxyphosphonates via the Pudovik reaction and their subsequent conversion to phosphates through the phospha-Brook rearrangement. The study highlights that using CSTRs allows for better control over reaction parameters, leading to reduced reaction times and improved yields compared to traditional batch methods. The optimised conditions successfully facilitated a range of organophosphates, including electron-rich and electron-poor derivatives, with high efficiency. Additionally, a one-pot tandem process combining the Pudovik reaction and the phospha-Brook rearrangement was developed, reducing reaction times to two hours while maintaining comparable yields. This work demonstrates the potential of CSTRs in flow chemistry for synthesising complex organophosphorus compounds, achieving higher reaction yields and shorter reaction times, highlighting the effectiveness of continuous flow methodologies. Full article

A new topological material, the [c2]daisy-chain rotaxane network, was successfully synthesized via a thiol-ene reaction between a [c2]daisy-chain rotaxane, which consists of a host–guest compound (H–G compound) where a crown ether and a secondary ammonium salt are linked, and a multi-branched thiol compound. The resulting network polymer exhibited higher compressive strength compared to one without the [c2]daisy-chain rotaxane. Additionally, the neutralized [c2]daisy-chain rotaxane network, in which the ammonium salt was neutralized and there was no interaction with the crown ether, showed increased rigidity compared to its state before neutralization. Furthermore, a gel electrolyte was prepared by impregnating the [c2]daisy-chain rotaxane network with an organic electrolyte containing dissolved lithium salts, and its ionic conductivity was investigated. As a result, high ionic conductivity was achieved despite the high polymer content. Full article

The high cost of equipment is a significant entry barrier to research for smaller organisations in developing solutions to air pollution problems. Low-cost electrochemical sensors have shown sensitivity at parts-per-billion by volume (ppbV) mixing ratios but are subject to variations due to changing environmental conditions, particularly temperature. We have previously demonstrated that under isothermal/isohume conditions such as those found in kinetic studies, very stable electrochemical responses occur. In this paper, we demonstrate the utility of a low-cost IoT-based sensor system that employs four-electrode electrochemical sensors under isothermal/isohume conditions for studying the kinetics of the atmospheric oxidation of nitrogen oxides. The results suggest that reproducible results for NO and NO₂ kinetics can be achieved. The method produced oxidation rates of 7.95 × 10³ L² mol⁻² s⁻¹ (±1.3%), for NO and 7.99 × 10⁻⁴ s⁻¹ (±2.1%) for NO₂. This study suggests that the oxidation kinetics of nitrogen oxides can be assessed with low-cost sensors, which can support a wide range of industrial applications, such as designing biocatalytic coatings for air pollution remediation. Full article

The enzymes Cytochrome P450 and Superoxide Reductase, which have a similar coordination center [FeN4S], begin their biochemical cycles similarly. They absorb an oxygen molecule, add two electrons, and link a hydrogen atom to the distal oxygen atom of the product obtained, creating the so-called Compound 0 in the case of the first enzyme. However, the bio-catalytic processes of these two enzymes continue in different ways. In the bio-catalytic cycle of Cytochrome P450, the enzyme binds another proton to the distal oxygen atom, producing a water molecule and Compound 1. In contrast, in the bio-catalytic cycle of the Superoxide Reductase, the enzyme binds a proton to the proximal oxygen atom, producing a hydrogen peroxide molecule, which later decomposes into oxygen and water. The MCSCF method in the CASSCF form was used to study the difference in Cytochrome P450 and Superoxide Reductase’s bio-catalytic cycles. The results of these enzymes’ hydroperoxo adduct models’ geometric optimization showed that, in fact, all their properties, including their spin states, the wave functions in their active zones, and the Fe-N, Fe-S, and Fe-O bond lengths, are different. The Fe-N, Fe-S, and Fe-O chemical bond lengths are much longer in the case of the second enzyme compared to the chemical bond lengths in the case of the first enzyme, reflecting a spin value equal to 5/2 in the second case and a spin value equal to 1/2 in the first. A decisive role in the difference in their bio-catalytic cycles is played by the fact that the first bonded hydrogen atom is linked to the distal oxygen atom in the side position in the case of Compound 0 and the up position in the case of the hydroperoxo adduct of the enzyme Superoxide Reductase, protecting the distal oxygen atom from possible interaction with the substrate. The second protonation to Compound 0 at the distal oxygen atom in the case of Cytochrome P450’s bio-catalytic cycle and the second protonation at the proximal oxygen atom in the case of the hydroperoxo adduct of Superoxide Reductase’s bio-catalytic cycle depend on the proton transfer through the Asp251 channel in the first case and on the transferal of H⁺ from the substrate to the water molecule and the proximal oxygen in the second case. Full article

Drylands in Brazil have been exploring sisal (Agave sisalana) as an essential source of income. However, the solid residues generated because of this activity still need suitable destinations; therefore, research has been carried out to transform them into added-value products. Therefore, the present study evaluated the potential of sisal or agave solid residue as a precursor feedstock for second-generation ethanol production. Acid and acid–alkaline pretreatments were carried out on sisal residues to enrich the biomass with cellulose and maximize enzymatic digestibility. Second-generation ethanol production was carried out using Semi-simultaneous saccharification and fermentation (SSSF). Regardless of catalyst dosage and incubation time, oxalic acid pretreatments generated samples with a similar chemical composition to those pretreated with sulfuric acid. However, samples pretreated with oxalic acid showed lower enzymatic digestibility. Samples pretreated with oxalic acid and sodium hydroxide obtained 14.28 g/L of glucose and cellulose conversion of 79.1% (at 5% solids), while 21.49 g/L glucose and 91.2% of cellulose conversion were obtained in the hydrolysis of pretreated samples with sulfuric acid and sodium hydroxide combined pretreatments. The pretreatment sequence efficiently reduced cellulase dosage from 20 to 10 FPU/g without compromising sugar release. SSSF achieved maximum production of 40 g/L ethanol and 43% ethanol conversion using 30% solids and gradually adding biomass and cellulases. Full article

In this work, an attempt is made to theoretically substantiate the experimentally known facts of the influence of halogen concentration on the catalytic properties of the neodymium-based Ziegler–Natta system. Based on the structural and thermochemical data obtained using modern methods of quantum chemistry, the process of the 1,3-butadiene cis-1,4-polymerization under the model active centers of the neodymium Ziegler–Natta catalysts with different contents of chloride ions was studied. Results are presented that explain the increase in the cis-stereospecificity and activity of the polymerization system with an increase in the content of the chloride ions in the neodymium catalytic system. Reasons were established for the decrease in the concentration of active centers relative to the introduced Nd(III) with an excess of chloride ions and the occurrence of the anti-syn isomerization as a source of the formation of the trans-1,4-structures in the cis-1,4-polybutadiene. Full article

Waste plastics were successfully decomposed with a solid acid catalyst to make oil. Spent FCC (Fluid Catalytic Cracking) catalyst was used for this process. The operation of this process was conducted in a horizontal agitated laboratory reactor with an inner volume of 1 L with 0.1 kg/h to the capacity of 80 kg/h of the demonstrate plant conducted by continuously feeding a plastic flake or molded cube to the heated powder catalyst bed at around 400–450 °C. The yield of oil was as high as 70 to 85%, depending on the type of plastic. The processing of a variety of waste plastics from home waste, industrial waste and even marine plastics could be processed to obtain oil with a low freezing point and a high heating value. The product was mainly composed of iso-paraffins, olefins and aromatics. The effective in situ dichlorination was attained from the waste plastic containing PVC. A small amount of PET in the plastic was converted to methyl benzene during the cracking operation. Full article