Reaction Products Research Articles

A novel and clean utilization of flue gas desulfurization ash coupled with converter sludge to produce calcium ferrate

To address the environmental pollution from industrial wastes like desulfurization ash (DA) and converter sludge(CS), this study introduces a novel method for synthesizing calcium ferrate. This method involves reacting converter sludge with desulfurization ash at high temperatures, facilitating the concurrent elimination of toxic elements. The solid byproduct is suitable as a sintered ore additive, while the gaseous SO2 serves as a precursor for sulfuric acid production. Additionally, the metal-rich secondary dust offers a source for valuable metal recovery. This research employs simulation software (FactSage 8.1) and thermal analysis to explore the high-temperature reaction dynamics of converter sludge and desulfurization ash. Subsequent in-situ experiments and coupled high-temperature tube furnace-infrared flue gas analysis further elucidated the phase transitions, morphology changes, flue gas emissions, and migration of harmful elements (e.g., S, K, Na, Pb, Zn). Analysis using the Predom dominant zone module calculation indicates that low SO2 concentration and reduced oxygen levels promote the stability of Ca2Fe2O5. Infrared flue gas analysis reveals high concentrations of CO2 and SO2. Sulfur removal rates rose from 62.15 % to 98.48 % between 800 °C and 1100 °C. Removal efficiencies for alkali and heavy metals, namely K, Na, Pb, and Zn, improved significantly, reaching 99.95 %, 99.49 %, 99.71 %, and 86.7 % respectively. At 1100 °C under an N2 atmosphere, the main reaction products from Flue Gas desulfurization ash (FGDA) and converter sludge were CaFe3O5 and Ca2Fe2O5. This study’s comprehensive analysis of synthesizing calcium ferrate from Flue Gas desulfurization ash and converter sludge introduces a novel waste utilization method, offering substantial environmental and economic advantages.

Micromechanism of the effect of coal functional groups on the catalytic/esterification reaction of acetic acid

Acidification modification has proven to be a successful approach for enhancing the permeability of low-permeability coal seams and increasing coalbed methane extraction. To explore the influence of acetic acid on the organic structure of coal, a combined approach of experimental research and quantum chemical calculation is employed to examine the reaction mechanism of coal organic structure in response to acetic acid. Fourier transform infrared spectroscopy reveals a reduction in the content of hydroxyl and C–O bonds in the treated samples, along with the appearance of an absorption peak of C=C bonds. This demonstrates that the main site of acetic acid acidification modification on coal molecules is the hydroxyl functional group. Therefore, glycerol can be used as a simplified model of coal molecules for further investigation. In addition, three typical functional groups (phenyl, hydroxyl, amino) are selected as the research objects. The electronic density topological properties, molecular surface electrostatic potential, Mayer bond orders and CM5 charge of coal molecules were calculated based on quantum chemical theory. This reveals the intrinsic strength of each chemical bond between single atoms in a molecule, thereby predicting potential reaction pathways between acetic acid and coal molecules. The micro-mechanism of acetic acid catalyzing/esterifying the organic structure of coal is studied using transition state methods. The computational results show that there are two main modes of reaction between acetic acid and coal molecules: (1) acetic acid catalyzes the dehydration reaction of coal molecules; (2) acetic acid reacts with coal molecules to form ester intermediates, followed by decomposition through various reactions. Among the 14 reaction pathways, acetic acid provides protons or groups to trigger the dehydration of coal molecules. Interestingly, it is found that the overall hydroxyl group participates in the reaction is easier than the individual hydrogen atom on the hydroxyl group, and the overall carboxyl group participates in the reaction is easier than the individual hydroxyl group. This indicates that the higher the overall atomic reactivity of acetic acid, the lower the reaction barrier. Compared with catalytic reactions, acetic acid tends to undergo esterification reactions with hydroxyl groups, with the phenyl ring functional group significantly affecting the reaction barrier. The introduction of various oxygen-containing functional groups like ketone, aldehyde, and ester in the reaction products will hinder the adsorption of non-polar methane, reduce the adsorption capacity of coal seams for gas, and play an essential role in promoting gas desorption. The research findings can provide theoretical guidance for the organic acidification modification of low-permeability coal seams to enhance gas permeability and coalbed methane extraction.

Pharmacogenetic Approach to Tramadol Use in the Arab Population.

Tramdol is one of most popular opioids used for postoperative analgesia worldwide. Among Arabic countries, there are reports that its dosage is not appropriate due to cultural background. To provide theoretical background of the proper usage of tramadol, this study analyzed the association between several genetic polymorphisms (CYP2D6/OPRM1) and the effect of tramadol. A total of 39 patients who took tramadol for postoperative analgesia were recruited, samples were obtained, and their DNA was extracted for polymerase chain reaction products analysis followed by allelic variations of CYP2D6 and OPRM A118G determination. Numerical pain scales were measured before and 1 h after taking tramadol. The effect of tramadol was defined by the difference between these scales. We concluded that CYP2D6 and OPRM1 A118G single nucleotide polymorphisms may serve as crucial determinants in predicting tramadol efficacy and susceptibility to post-surgical pain. Further validation of personalized prescription practices based on these genetic polymorphisms could provide valuable insights for the development of clinical guidelines tailored to post-surgical tramadol use in the Arabic population.

Innovative insights into the roasting-driven transformation of volatile compounds and quality markers in flaxseed (Linum usitatissimum L.) oil.

Roasting is essential for developing the characteristic aroma of flaxseed oil (FSO), yet its impact on oil quality remains underexplored. This study employed headspace-gas chromatography-mass spectrometry coupled with multivariate analysis to elucidate the dynamic changes in volatile compounds and quality characteristics of FSO subjected to varying roasting temperatures. Our findings revealed that seven key aroma compounds, identified through the variable importance in the projection scores of partial least square-discrimination analysis models and relative aroma activity value, served as molecular markers indicative of distinct roasting temperatures. These compounds included 2,5-dimethylpyrazine, 2-pentylfuran, (E)-2-pentenal, 2-ethyl-3,6-dimethylpyrazine, heptanal, octanal, and 2-hexenal. Notably, roasting at 200°C was found to enhance oil stability and antioxidant capacity, with phenolic compounds and Maillard reaction products playing synergistic roles in bolstering these qualities. Network analysis further uncovered significant correlations between these key aroma compounds and quality characteristics, offering novel perspectives for assessing FSO quality under diverse roasting conditions. This research not only enriched our understanding of the roasting process's impact on FSO but also provided valuable guidance for the optimization of industrial roasting practices. This study would provide important practical applications in aroma regulation and process optimization of flaxseed oil. .

Effect of puffing treatment on volatile components of green tea explored by gas chromatography–mass spectrometry and gas chromatography-olfactometry

The effect of puffing treatment on the volatile components of green tea has been studied. A total of 155 volatile compounds were identified by using HS-SPME and SPE extraction methods, combined with gas chromatography–mass spectrometry (GC–MS). The total concentration of volatile compounds in puffed green tea increased by 2.25 times compared to that in before puffing. 12 key volatile compounds in green tea were identified before and after puffing using a combination of multivariate statistical analysis, GC-O, AEDA dilution analysis, and relative odor activity value (rOAV). The puffing process generates the Maillard reaction, where sugars react with amino acids to produce Maillard reaction products (such as pyrazine, pyrrole, furan, and their derivatives), giving them a unique baking aroma. The proportion of these compounds in the total volatile matter increased. The research results provided guidance and a theoretical basis for improving the aroma processing of green tea.

Substituent effects on the ESIPT process of H2O2 sensing product 1,3-bis(bispyridin-2-ylimino) isoindolin-4-ol: A theoretical study

H2O2 plays an important role in a variety of physiological processes, but its overproduction or accumulation can lead to oxidative damage and related diseases, so it is crucial to establish accurate H2O2 detection methods. Fluorescence sensing as a potential method, the design and modulation of its luminescent properties are crucial to the detection results. In this work, we investigated the sensing mechanism of a novel H2O2 fluorescent probe (P1) and examined the role of substituent effects in modulating the fluorescence properties of its reaction products. The results show that the non-fluorescence property of the probe is due to twisted intramolecular charge transfer (TICT) mechanism resulting from a torsion of the excited state molecular conformation, and the fluorescence turn-on upon recognition of H2O2 by the probe is due to the reaction product (BBYI1) following the excited state intramolecular proton transfer (ESIPT) process. When the substituent is an electron-donating group, the energy barrier of the ESIPT reaction is lowered, promoting luminescence, while the electron-withdrawing group has the opposite effect. In summary, the present work may offer a theoretical foundation for the development of more sensitive fluorescent probes for ESIPT-based H2O2 detection.

Nitrosyl and Thionitrosyl Complexes of Technetium and Rhenium and Their Reactions with Hydrotris(pyrazolyl)borates.

The very limited number of structurally known thionitrosyl complexes of technetium was increased by the synthesis of [TcII(NS)Cl3(PPh3)2] (3) and [TcII(NS)Cl3(PPh3)(OPPh3)] (4) and their reaction products with hydrotris(pyrazolyl)borates, {HB(pzR)3}-. Similar reactions were conducted with [TcI(NO)Cl2(PPh3)2(CH3CN)] and related rhenium thionitrosyls. Remarkably, most such reactions result in a rapid cleavage of the boron-nitrogen bonds of the ligands and the formation of pyrazole complexes of the two group 7 metals. Only one compound with an intact {HB(pzR)3}- ligand could be isolated: the technetium(I) complex [TcI(NO)Cl(PPh3){HB(pz)3}] (2). Other products show the coordination of one or four neutral pyrazole ligand(s) in the coordination spheres of technetium generated by thermal decomposition of the pyrazolylborates [TcI(NO)Cl2(PPh3)2(pzH)] (1) and [TcI(NS)Cl(pzHMe2)4]+ (5). Reactions with the corresponding thionitrosylrhenium complex [ReII(NS)Cl3(PPh3)2] require higher temperatures and only compounds with one pyrazole ligand, [ReI(NS)Cl2(PPh3)(pzHR)] (6a-6c), were isolated. The products were studied spectroscopically and by X-ray diffraction.

Key saltiness-enhancing substances in Maillard reaction products derived from chicken breast hydrolysate: Identification, saltiness-enhancing ability and mechanism

This work employs a saltiness-guided separation combined with UPLC-QTOF-MS to identify the key saltiness-enhancing substances in Maillard reaction products derived from chicken breast hydrolysate (CBH–MRPs). Thirteen compounds in the U3 fraction exhibited significant saltiness-enhancing abilities, which increased the saltiness intensity of NaCl (3 g/L) from 2.80 to 3.35–3.88. Interactions between the compounds and NaCl were evaluated using the S-curve method. The results showed that five compounds (5′-GMP, 5′-IMP, L-glutamic acid, L-lactic acid, and L-carnosine) and one compound (glutamine) exhibited synergistic and additive effects with NaCl, respectively, at tested concentrations. Notably, 5′-GMP/5′-IMP/glutamine and L-carnosine/L-lactic acid demonstrated better saltiness-enhancing abilities at their suprathreshold and subthreshold levels, respectively. Molecular docking results showed that hydrogen bonding was the key force for docking. Residues Cys475, Glu378, and Trp236 were the primary binding sites of the transmembrane channel-like protein 4 (TMC4). These results contribute to a better understanding of the saltiness modulating mechanisms of CBH–MRPs.

Characterization and conformational analysis of a novel hydrazonoyltetrazole: Crystallographic and theoretical investigations of an unexpected reaction product

A new hydrazonoyltetrazole was isolated as a byproduct from a previously reported reaction, and characterized by 1H and 13C NMR spectroscopy, infrared spectroscopy, single-crystal X-ray diffraction, and high-resolution mass spectroscopy. Intermolecular interactions in the crystal state were examined by Hirshfeld surface analysis (HSA), 2D fingerprint plots, and noncovalent interaction analysis (NCI). Geometry optimization in the gaseous phase was executed at the ωB97X-D4/def2-TZVPP level of theory, and subsequent maps of molecular electrostatic potential (MEP) were generated and analyzed. The calculated MEP was in good agreement with the HSA and NCI results. Conformational analysis was performed using a CREST/CENSO protocol. Two low-energy solution conformers were obtained. To confirm the presence of the second conformer, 1H NMR spectra were calculated, the transition state connecting the two conformers was found, and their energies were obtained with the DLPNOCCSD(T) scheme. A barrier of only 4 kcal mol-1 was found between them, and their MEP maps were also created. The dispersion energies between fragments of the three structures were calculated using the local energy decomposition (LED) scheme.

Biochemical and structural elucidation of the L-carnitine degradation pathway of the human pathogen Acinetobacter baumannii.

Acinetobacter baumannii is an opportunistic human pathogen which can use host-derived L-carnitine as sole carbon and energy source. Recently, an L-carnitine transporter (Aci1347) and a specific monooxygense (CntA/CntB) for the intracellular cleavage of L-carnitine have been characterized. Subsequent conversion of the resulting malic semialdehyde into the central metabolite L-malate was hypothesized. Alternatively, L-carnitine degradation via D-malate with subsequent oxidation into pyruvate was proposed. Here we describe the in vitro and in vivo reconstitution of the entire pathway, starting from the as yet uncharacterized gene products of the carnitine degradation gene operon. Using recombinantly purified enzymes, enantiomer-specific formation of D-malate by the NAD(P)+-dependent malic semialdehyde dehydrogenase (MSA-DH) is demonstrated. The solved X-ray crystal structure of tetrameric MSA-DH reveals the key catalytic residues Cys290 and Glu256, accessible through opposing substrate and cofactor funnels. Specific substrate binding is enabled by Arg166, Arg284 and Ser447 while dual cofactor specificity for NAD+ and NADP+ is mediated by Asn184. The subsequent conversion of the unusual D-malate reaction product by an uncharacterized NAD+-dependent malate dehydrogenase (MDH) is shown. Tetrameric MDH is a β-decarboxylating dehydrogenase that synthesizes pyruvate. MDH experiments with alternative substrates showed a high degree of substrate specificity. Finally, the entire A. baumannni pathway was heterologously reconstituted, allowing E. coli to grow on L-carnitine as a carbon and energy source. Overall, the metabolic conversion of L-carnitine via malic semialdehyde and D-malate into pyruvate, CO2 and trimethylamine was demonstrated. Trimethylamine is also an important gut microbiota-dependent metabolite that is associated with an increased risk of cardiovascular disease. The pathway reconstitution experiments allowed us to assess the TMA forming capacity of gut microbes which is related to human cardiovascular health.

Application of Steady-State and Time-Resolved Fluorescence Spectroscopy in Identification of Bee Products

In this study, steady-state and time-resolved fluorescence spectroscopy techniques have been applied to determine fluorescence characteristics and fluorescence decay kinetics parameters (fluorescence lifetimes and their amplitudes) of available on the Polish market bee products, including several nectar honeys, royal jelly, bee bread in honey and in liquid artificial honey. The fluorescence properties of the tested bee products arise from the presence of a unique composition of aromatic amino acids, vitamins, phenolic compounds and Maillard reaction products. In the 300–550 nm region of the emission spectra (excited at 280 nm), each of the tested bee products exhibited (showed) a specific and distinctive vibronic structure, which was not observed in the spectrum of artificial honey. Quantitative and qualitative composition as well as specific interactions between fluorescent constituents determine the specific fluorescence characteristics of a given bee product providing a unique fingerprint that can be used in the identification of bee products of different botanical origin. Combination of stationary and time-resolved fluorescence techniques seems to be a promising approach in the identification, authentication and quality control of bee products to verify their health-beneficial properties.

Unveiling the Reaction Mechanism of the N(2D) + Pyridine Reaction: Ring-Contraction versus 7-Membered-Ring Formation Channels.

Despite the relevance of the reactions of the prototypical nitrogen-containing six-membered aromatic molecule (N-heterocyclic) of pyridine (C6H5N) in environmental science, astrochemistry, planetary science, prebiotic chemistry, and materials science, few experimental/theoretical studies exist on the bimolecular reactions involving pyridine and neutral atomic/molecular radicals. We report a combined experimental and theoretical study on the elementary reaction of pyridine with excited nitrogen atoms, N(2D), aimed at providing information about the primary reaction products and their branching fractions (BFs). From previous crossed molecular beam (CMB) experiments with mass-spectrometric detection and present synergistic calculations of the reactive potential energy surface (PES) and product BFs we have unveiled the reaction mechanism. It is found that the reaction proceeds via N(2D) barrierless addition to pyridine that, via bridged intermediates followed by N atom "sliding" into the ring, leads to 7-membered-ring structures. They further evolve, mainly via ring-contraction mechanisms toward 5-membered-ring radical products and, to a smaller extent, via H-displacement mechanisms toward 7-membered-ring isomeric products and their isomers. Using the theoretical statistical estimates, an improved fit of the experimental data previously reported has been obtained, leading to the following results for the dominant product channels: C4H4N (pyrrolyl) + HCN (BF = 0.61 ± 0.20), C3H3N2 (1H-imidazolyl/1H-pyrazolyl) + C2H2 (BF = 0.11 ± 0.06), and C5H4N2 (7-membered-ring molecules or pyrrole carbonitriles) + H (BF = 0.28 ± 0.10). The ring-contraction product channels C4H4N (pyrrolyl) + HCN, C3H3N2 (1H-imidazolyl) + C2H2, C3H3N2 (1H-pyrazolyl) + C2H2, and C5H5 (cyclopentadienyl) + N2 have statistical BFs of 0.54, 0.09, 0.11, and 0.07, respectively. Among the H-displacement channels, the cyclic-CHCHCHCHNCN + H channel and cyclic-CHCHCHCHCN2 + H are theoretically predicted to have a comparable BF (0.07 and 0.06, respectively), while the other isomeric 7-membered-ring molecule + H channel has a BF of 0.03. Pyrrole-carbonitriles and 1H-ethynyl-1H-imidazole (+ H) isomeric channels have an overall BF of 0.03. Implications for the chemistry of Saturn's moon Titan and prebiotic chemistry, as well as for understanding the N-doping of graphene or carbon nanotubes, are noted.

Vanadium isotope records of the transformation from carbonated melt to alkali basalt

Volcanic clasts from the International Ocean Discovery Program Site U1431 in the South China Sea (SCS) were analyzed for V isotopic compositions in this study. These volcanic clasts represent mantle-derived carbonated melts and record the transition from carbonated melts to alkali basalts. Based on the formation sequence, these clast samples were divided into early-stage (> 8.3 Ma) and late-stage (< 8.3 Ma) clasts. The early-stage volcanic clasts have δ51V values of −0.76‰ to −0.67‰, which provide an estimate for the V isotopic composition of primary carbonated melts. Their V isotopic compositions are slightly heavier than those of mid-ocean ridge basalts (−0.84‰ ± 0.10‰) and bulk silicate Earth (−0.86‰ to −0.91‰), reflecting the control of low-degree partial melting under conditions of high oxygen fugacity. The late-stage volcanic clasts have δ51V values ranging from −0.62‰ to 0.29‰, which are systematically heavier than those of early-stage volcanic clasts. The carbonated melts rose through and reacted with the lithospheric mantle and were transformed into alkali basalts by dissolving orthopyroxene and precipitating olivine and/or clinopyroxene. Because the reactants and reaction products do not lead to significant V isotope fractionation, the V isotopes show limited variations during transformation from carbonated melts to alkali basalts. The alkali basalts were emplaced into shallow crust by multiple pulses, in which the magma experienced variable degrees of magma differentiation, with δ51V values close to those of the initial alkali basalts or increasing due to fractional crystallization of FeTi oxides. The change in V isotopic compositions from early-stage volcanic clasts to late-stage volcanic clasts was driven by the varying magnitude of influence exerted by different magmatic processes en route from the deep mantle to the shallow crust.

Performance analysis and experimental study of titanium GDL in proton exchange membrane fuel cell

The gas diffusion layer (GDL) plays an important role in proton exchange membrane fuel cells (PEMFC) to support the catalytic layer, collect the current, conduct the gas and discharge the reaction product water. Titanium (Ti) can be one of the choices of GDL materials due to its high strength, low density and excellent corrosion resistance. Therefore, this paper investigated Ti substrate material for GDL and comparatively analyzed the changes in the contact angle of the GDL before and after hydrophobic treatment, analyzed the changes in the performance of the cell after different treatment processes, and measured the effect of compression force on the contact resistance of the cell. The results show that, after the selection of Ti felt as the substrate and the carbon plating process, the contact angle of the substrate layer and the microporous layer increased significantly, and the hydrophobicity of the GDL surface improved after carbon plating. The contact resistance of the Ti felt substrate was significantly reduced after carbon plating and was even lower than that of the C–H-060 substrate. Considering the importance of the hydrophobicity of GDL, acetylene black microporous layer coating is also needed to increase the contact angle of the GDL interface and improve the hydrophobicity of GDL. The hydrophobic treatment of MPL using Ti felt as the substrate can significantly improve the output performance of the cell at high current density, avoid flooding inside the cell, and increase the current density operating range of the cell.

The orientation dependence of cavity-modified chemistry.

Recent theoretical studies have explored how ultra-strong light-matter coupling can be used as a handle to control chemical transformations. Ab initio cavity quantum electrodynamics calculations demonstrate that large changes to reaction energies or barrier heights can be realized by coupling electronic degrees of freedom to vacuum fluctuations associated with an optical cavity mode, provided that large enough coupling strengths can be achieved. In many cases, the cavity effects display a pronounced orientational dependence. Here, we highlight the critical role that geometry relaxation can play in such studies. As an example, we consider a recent work [Pavošević et al., Nat. Commun. 14, 2766 (2023)] that explored the influence of an optical cavity on Diels-Alder cycloaddition reactions and reported large changes to reaction enthalpies and barrier heights, as well as the observation that changes in orientation can inhibit the reaction or select for one reaction product or another. Those calculations used fixed molecular geometries optimized in the absence of the cavity and fixed relative orientations of the molecules and the cavity mode polarization axis. Here, we show that when given a chance to relax in the presence of the cavity, the molecular species reorient in a way that eliminates the orientational dependence. Moreover, in this case, we find that qualitatively different conclusions regarding the impact of the cavity on the thermodynamics of the reaction can be drawn from calculations that consider relaxed vs unrelaxed molecular structures.

ULTRASOUND IN CATALYSIS

The results of studied on the use of ultrasound in catalyst synthesis and processing are summarised. It is demonstrated that exposure to ultrasound can regulate the textural and structural characteristics of catalysts by varying exposure time and the amplitude of ultrasonic radiation. Optimisation of the conditions of ultrasonic treatment of the catalysts is determined to provide improvement of their physicochemical properties. This allows achieving higher reagents conversion and selectivity of the formation of target products in various chemical reactions. Examples of ultrasound application from the viewpoint of following the green chemistry principles are considered. It is shown that ultrasound application in organic synthesis promotes improvement of chemical process characteristics and reduces reaction time.

Electrochemical-Fluorescent Bimodal Biosensor Based on Dual CRISPR-Cas12a Multiple Cascade Amplification for ctDNA Detection.

Circulating tumor DNA (ctDNA) is a critical biomarker for early tumor detection. However, accurately quantifying low-abundance ctDNA in human serum remains a significant challenge. To address this challenge, we introduce a bimodal biosensor tailored for detecting the epidermal growth factor receptor (EGFR) mutation L858R in specific nonsmall cell lung cancer (NSCLC) patients. This biosensor utilizes dual CRISPR-Cas12a systems to quantify the target via fluorescence and electrochemical signals. In our system, the EGFR L858R exhibits resistance to digestion by the restriction enzyme MscI, which activates the first CRISPR-Cas12a protein and inhibits the binding of magnetic beads with fluorescein (FAM)-labeled hybridization chain reaction (HCR) products, thereby reducing the fluorescence signal. This activation also inhibits the cleavage activity of the second CRISPR-Cas12a protein, allowing the electrode to sustain a higher electrochemical signal from nanomaterials. The wild-type EGFR (wt EGFR) produces the opposite effect. Consequently, the concentration of EGFR L858R can be accurately quantified and verified using both fluorescence and electrochemical signals. The biosensor offers a dynamic detection ranging from 10 fM to 1 μM, with a detection limit of 372 aM. It demonstrates excellent specificity, reproducibility, stability, and recovery rates. Moreover, the sensor's enhanced analytical sensitivity highlights its critical role in biosensing applications and early disease diagnosis.

Desulfurization of coal pyrite tailings with ozone

Mining is an important sector of the economy, and in the southern region of Brazil, coal mining stands out. This activity generates waste with a high pyritic content, which causes environmental problems such as acid mine drainage (AMD). Therefore, studies that aim to beneficiate or treat this waste are of high relevance. In this study, an alternative for desulfurizing pyritic waste using ozone was investigated. Ozone treatment of mining tailings suspension was evaluated as a new strategy for sulfur removal. Particle size analysis, sulfate content, ferrous ion concentration (and total iron), pH, Eh, conductivity, and X-ray fluorescence were performed. Furthermore, a kinetic analysis of ozone consumption was established. The behavior of sulfate and hydrogen ion concentrations indicates that sulfuric acid is the main reaction product, and conductivity suggests that ion release is continuous over the ozonation time. A reaction kinetics with ??1.2 was found for ozone depletion, which aids in predicting the dosage to be applied on a larger scale. This study represents a contribution to the search for alternatives for treating pyritic waste and contributes to the understanding of the reaction rate of ozone consumption in this type of reaction.

Micro-scale quantitative analysis of sterol content in liposomes

The high complexity of biological membranes has driven the development and application of a wide range of model membrane systems. Among these models, liposomes are extensively used because of their versatility in mimicking cellular membranes with a wide range of lipid compositions. However, the accurate quantification of lipid components, such as sterols, within these models remains a critical requirement for validation, data interpretation, and comparison. Here, we present a reliable and sensitive colorimetric assay using the Zak color reaction, which we have specifically adapted for the quantification of sterols at the micro-scale level. The assay was evaluated using cholesterol, ergosterol, and sitosterol standards, reflecting the diversity of sterol species across organisms. The reaction mechanism involves the dehydration of sterols to form carbonium ions, which are oxidized to form various enylic carbonium ions with specific absorption peaks. Due to the different chemical structures of cholesterol, ergosterol, and sitosterol, the resulting spectra show that the colored reaction products are formed in different proportions. The stability and interconversion of these species over time were analyzed. Cholesterol and sitosterol showed a clear peak at 555 nm, while ergosterol had prominent peaks at shorter wavelengths. Sterol assays on liposomal preparations showed accurate sterol incorporation with minimal loss during processing steps. These results demonstrate that this assay provides a robust and accurate measurement of sterol content in large unilamellar vesicles, making it a valuable tool for liposomal studies.

Fully resolved simulations of micro-unit composite fuel in hydroxyl-terminated polybutadiene (HTPB): Al@AP

Micro-unit composite fuel (Al@AP) is a promising strategy for achieving stable and efficient combustion, due to its reduced pressure dependency and ability to prevent agglomeration. This research focuses on the heat and mass transfer as well as the reaction mechanism within the Al@AP structure through molecular modeling. The direct contact between the metal fuel and oxidizer leads to an immediate redox reaction at the corresponding interface, facilitating the diffusion of oxygen atoms from surrounding AP molecules into the Al particles. Heat is transferred from the Al particles to the surrounding oxidizer, instead of inward heat transfer from the AP-HTPB interface as observed in the conventional Al/AP composite. This novel assembly method significantly accelerates the reaction rate, more than doubling that of the conventional Al/AP composite. Moreover, the research explores combustion behavior at diverse pressure conditions (condensed phase vs. vacuum), revealing pressure’s minimal impact on the rapid burning stage primarily driven by diffusion mechanism. Under vacuum, reaction products propel burning Al within gas flow, transitioning to surface reactions on Al particles with gaseous products. Regarding agglomerations, the coalescence of two burning Al droplets is observed to form a larger product owing to the reduced distances within AP particle. The Al droplets are almost consumed before coalescence due to the rapid combustion, resulting in no negative impact on the Al combustion. The above findings highlight the unique features of micro-unit composite fuel in the application of solid propellants, and serve as an atomistic guide for propellant manufacturing and design.