Stoichiometric Ratio Research Articles

Influence of para-substituted benzaldehyde derivatives with different push/pull electron strength groups on the conformation of human serum albumin and toxicological effects in zebrafish

Excessive intake of benzaldehyde and its derivatives can cause irreversible damage to living organisms. Hence, benzaldehyde derivatives with different para-substitutions of push/pull electronic groups were chosen to investigate the effect of different substituent properties on the structure of human serum albumin (HSA). The binding constants, number of binding sites, major interaction forces, protein structural changes, and binding sites of benzaldehyde (BzH) and its derivatives (4-BzHD) with HSA in serum proteins were obtained based on multispectral and molecular docking techniques. The mechanism of BzH/4-BzHD interaction on HSA is mainly static quenching and is accompanied by the formation of a ground state complex. BzH/4-BzHD is bound to HSA in a 1:1 stoichiometric ratio. The interaction forces for the binding of BzH/4-BzHD to HSA are mainly hydrogen bonding and hydrophobic interaction, which are also accompanied by a small amount of electrostatic interactions. The effect of BzH/4-BzHD on HSA conformation follows: 4-Diethylaminobenzaldehyde (4-DBzH) > 4-Nitrobenzaldehyde (4-NBzH) > 4-Hydroxybenzaldehyde (4-HBzH) > 4-Acetaminobenzaldehyde (4-ABzH) > BzH, which means that the stronger push/pull electronic strength of the para-substituted benzaldehyde derivatives has a greater effect on HSA conformation. Furthermore, the concentration-lethality curves of different concentrations for BzH/4-BzHD on zebrafish verified above conclusion. This work provides a scientific basis for the risk assessment of benzaldehyde and its derivatives to the ecological environment and human health and for the environmental toxicological studies of benzaldehyde derivatives with different strengths of push/pull electron substitution.

Impacts of altitude on plant green leaf, fresh litter, and soil stoichiometry in subtropical forests

BackgroundEcological stoichiometric characteristics of carbon (C), nitrogen (N), phosphorus (P), and potassium (K) serve as crucial indicators of nutrient cycling and limitation in terrestrial ecosystems. However, our current understanding of stoichiometric characteristics in subtropical forests and their response to different climate conditions is still limited.MethodsWe selected six altitudes ranging from 700 m to 1,200 m to simulate different climate conditions of an evergreen broadleaf forest in Wuyi Mountain, Fujian Province, China. We investigated C, N, P, and K stoichiometry and homeostasis in the green leaves, newly senesced leaf litter (fresh litter), and soil of this forest.ResultsLeaf P and K levels showed a decline with increasing altitude. Notably, the stoichiometric ratios in different components exhibited a bimodal distribution along the altitudinal gradient. Additionally, a decline trend of N resorption efficiencies was observed as altitude increased. Moreover, weak homeostasis was observed in P and K in green leaves. These findings highlighted the significant impact of altitude on the stoichiometry in evergreen broadleaf forest. This study also contributed to our understanding of the nutrient cycling mechanism and plant growth strategies of evergreen forests under different climate conditions.

Multicomponent Amorphous Solid Forms of Telmisartan: Insights into Mechanochemical Activation and Physicochemical Attributes.

The present work aims to explore the new solid forms of telmisartan (TEL) with alpha-ketoglutaric acid (KGA) and glutamic acid (GA) as potential coformers using mechanochemical approach and their role in augmentation in physicochemical parameters over pure crystalline TEL. Mechanochemical synthesis was performed using 1:1 stoichiometric ratio of TEL and the selected coformers in the presence of catalytic amount of ethanol for 1h. The ground product was characterized by PXRD, DSC, and FTIR. The new solid forms were evaluated for apparent solubility, intrinsic dissolution, and physical stability. Preliminary characterization revealed the amorphization of the mechanochemical product as an alternate outcome of cocrystallization screening. Mechanistic understanding of the amorphous phase highlights the formation of amorphous-mediated cocrystallization that involves three steps, viz., molecular recognition, intermediate amorphous phase, and product nucleation. The solubility curves of both multicomponent amorphous solid forms (TEL-KGA and TEL-GA) showed the spring-parachute effect and revealed significant augmentation in apparent solubility (8-10-folds), and intrinsic dissolution release (6-9-folds) as compared to the pure drug. Besides, surface anisotropy and differential elemental distributions in intrinsic dissolution compacts of both solid forms were confirmed by FESEM and EDX mapping. Therefore, amorphous phases prepared from mechanochemical synthesis can serve as a potential solid form for the investigation of a cocrystal through amorphous-mediated cocrystallization. This has greater implications in solubility kinetics wherein the rapid precipitation of the amorphous phase can be prevented by the metastable cocrystal phase and contribute to the significant augmentation in the physicochemical parameters.

Water-in-oil emulsion templated polyurethanes with uniform porosity

Porous PU foams have been receiving great attention because of their low density, lightweight, and high surface area. However, preparing PU foams with controlled porosity, pore size, and pore morphology is often difficult with commonly used methods like gas blowing. Here, highly controllable porous PU with small, uniform pore morphology and tunable material properties have been synthesized using water-in-oil polymerized high internal phase emulsion (PolyHIPE) templating and photoinitiated thiol-ene reactions between vinyl-functionalized polyurethane prepolymers and thiol-functionalized crosslinkers. The PolyHIPEs exhibited highly interconnected open-cell structures with pore sizes ranging from 5 to 10 μm. The storage moduli and elastic moduli of PU polyHIPEs derived from flexible HDI-PUs were low compared to stiff IPDI-PU based polyHIPEs. Furthermore, the storage moduli of relatively soft HDI-PU polyHIPEs were affected by the stoichiometric ratio of thiol crosslinker and vinyl-PU whereas no considerable effect on the stiffer IPDI-PU based polyHIPEs. In summary, this work presents an approach to synthesize porous polyurethane polyHIPEs with potential applications in aerospace, automotive, and biomedical industries.

Finite‐time sliding mode fault‐tolerant control of PEM fuel cell air supply system

AbstractProton exchange membrane (PEM) fuel cell air supply system is primarily responsible for delivering air to the fuel cell at a specific stoichiometric ratio for chemical reaction. The stoichiometric ratio will be impacted by the sudden change in load and system failure. Under the aforementioned circumstances, precise and timely air supply regulation is required to avoid irreparable PEM damage. In order to enhance the robustness and performance of the fuel cell, a cascaded finite time sliding mode fault‐tolerant control method is proposed for the air supply system of PEMFC. The control objective is to adjust the oxygen excess ratio at the cathode flow field, which can avoid the occurrence of oxygen starvation in the PEM fuel cell when the load current changes rapidly or when fault occurs. A cascaded controller structure is introduced, where, in the inner loop, an adaptive sliding mode controller is designed to reconstruct fault signal and track the optimal output trajectory and, in the outer loop, a finite‐time observer is employed to obtain the expected output trajectory. The proposed control scheme is capable of fault‐tolerant tracking of the optimal oxygen excess ratio within finite time. The effectiveness of proposed fault‐tolerant control algorithm is verified through hardware‐in‐the‐loop (HIL) studies.

Patterns and drivers of plant carbon, nitrogen, and phosphorus stoichiometry in a novel riparian ecosystem

Carbon (C), nitrogen (N), and phosphorus (P) stoichiometry serve as valuable indices for plant nutrient utilization and biogeochemical cycling within ecosystems. However, the allocation of these nutrients among different plant organs and the underlying drivers in dynamic riparian ecosystems remain inadequately understood. In this study, we gathered plant samples from diverse life forms (annuals and perennials) and organs (leaves, stems, and roots) in the riparian zone of the Three Gorges Reservoir Region (TGRR) in China—a novel ecosystem subject to winter flooding. We used random forest analysis and structural equation modeling to find out how flooding, life forms, plant communities, and soil variables affect organs C, N, and P levels. Results showed that the mean concentrations of plant C, N, and P in the riparian zone of the TGRR were 386.65, 19.31, and 5.27 mg/g for leaves respectively, 404.02, 11.23, and 4.81 mg/g for stems respectively, and 388.22, 9.32, and 3.27 mg/g for roots respectively. The C:N, C:P and N:P ratios were 16.15, 191.7 and 5.56 for leaves respectively; 26.98, 273.72 and 4.6 for stems respectively; and 16.63, 223.06 and 4.77 for roots respectively. Riparian plants exhibited nitrogen limitation, with weak carbon sequestration, low nutrient utilization efficiency, and a high capacity for nutrient uptake. Plant C:N:P stoichiometry was significantly different across life forms and organs, with higher N and P concentrations in leaves than stems and roots, and higher in annuals than perennials. While flooding stress triggered distinct responses in the C, N, and P concentrations among annual and perennial plants, they maintained similar stoichiometric ratios along flooding gradients. Furthermore, our investigation identified soil properties and life forms as more influential factors than plant communities in shaping variations in C:N:P stoichiometry in organs. Flooding indirectly impacts plant C:N:P stoichiometry primarily through alterations in plant community composition and soil factors. This study underscores the potential for hydrologic changes to influence plant community composition and soil nutrient dynamics, and further alter plant ecological strategies and biogeochemical cycling in riparian ecosystems.

Abstract LB106: Ultra-short ctDNA: A new paradigm for ctDNA liquid biopsy

Abstract Mononucleosomal ctDNA (mnctDNA, 157-bp, double-stranded) spearheads liquid biopsy (LB) for cancer detection, treatment and clinical care. The bottleneck of mnctDNA LB are low copy number of ctDNA and limit of detection of platform technologies. Recent discovery of ultra-short ctDNA (usctDNA, 52-54 nt, single-stranded) that harbors somatic mutations prompted us to explore the quantification and stoichiometry of usctDNA to mnctDNA in plasma and saliva of NSCLC patients. Paired plasma and saliva from 20 advanced NSCLC patients with tissue genotyped positive for L858R were processed for cfDNA extraction and quantification with Qubit and Tape Station. Digital PCR assays targeting L858R somatic mutation to generate amplicons of 57-bp (usctDNA) and 100-bp (mnctDNA) were performed by UCLA and independently by NIST. Results in Table 1 revealed that three findings of usctDNA that will have potential to impact ctDNA liquid biopsy. First, the somatic mutation (L858R) is present in usctDNA. Second, The stoichiometric ratio of usctDNA to mnctDNA is similar in plasma and saliva at 1.6X. For the wild-type counterpart, the ratio is 1.1X for plasma and 0.6X for saliva. Third, the copy number of usctDNA and mnctDNA in saliva to plasma is 7.8X and 7.7X. Conclusion: Detection of tumor-associated/specific EGFR L858R somatic mutations in uscfDNA is translationally impactful, adding 1.6X of the ctDNA targets for molecular detection, effectively cumulating 2.6X of total ctDNA targets, permitting earlier cancer detection, treatment monitoring and therapy prognostication. The finding that saliva harbors 7X of the us- and mnctDNA further raises the prospect of advancing saliva ctDNA liquid biopsy for NSCLC detection as it may effectively allow 15.5X (7.8X+7.7X) ability to detect malignancy-associated ctDNA. Table 1. Quantification of usctDNA and mnctDNA in Plasma and Saliva Mut usctDNA (L858R) WT cfDNA usctDNA mnctDNA U/M uscfDNA mncfDNA U/M Plasma 1555 ± 326 964 ± 209 1.6X 15201 ± 1509 13261 ± 1424 Saliva 12158 ± 1731 7442 ± 1020 1.6X 340896 ± 27170 601733 ± 71573 1.1X Saliva/Plasma (fold X) 7.8 7.7 1.6X 22.4 45.3 0.6X Citation Format: Feng Li, Fang Wei, Hua-Jun He, Chien-Chung Lin, Szu-Chun Yang, Allen Wei-Lun Huang, Cheuk Ying Tang, Yong Kim, David T. Wong. Ultra-short ctDNA: A new paradigm for ctDNA liquid biopsy [abstract]. In: Proceedings of the American Association for Cancer Research Annual Meeting 2024; Part 2 (Late-Breaking, Clinical Trial, and Invited Abstracts); 2024 Apr 5-10; San Diego, CA. Philadelphia (PA): AACR; Cancer Res 2024;84(7_Suppl):Abstract nr LB106.

Efficient water recovery and power generation system based on air-cooled fuel cell with semi-closed cathode circulation mode

Air-cooled proton exchange membrane hydrogen fuel cell with on-line hydrogen production by hydrolysis has potential for portable applications due to its high volumetric power density and self-humidification. However, plenty of reserve water significantly reduces the power density of fuel cell system. Moreover, water recovery from fuel cell tail gas is difficult, because the tail gas humidity is very low due to excess cathode air as coolant. In this work, the dead-ended anode and semi-closed cathode proton exchange membrane fuel cell is proposed to achieve efficient water recovery and energy conversion via semi-closed cathode circulation mode. In this mode, cathode O2-poor tail gas is recycled as coolant instead of fresh air, which helps to enlarge the tail gas humidity by reducing the stoichiometric ratio of cathode to anode gas. The system lumped model with detailed component description is developed for optimization. >96% water production can be recycled under atmosphere temperature. The demand of fresh air is greatly reduced from 56 to 2 times of the consumption. Besides, the multi-objective optimization between water recovery and electrochemical performance shows high-efficiency water recovery of 94.70% and high energy conversion efficiency of 54.82%.

Bi-reforming with a ratio of CH4/CO2/H2O = 3/1/2 by gliding arc plasma catalysis for power to fuels

With the aim of directly producing a high-quality syngas with a ratio of H2/CO = 2, bi-reforming of CH4 with the ideal stoichiometric ratio of CH4/CO2/H2O = 3/1/2 is carried out in a gliding arc-based warm plasma catalytic reactor. The gliding arc plasma is a typical warm plasma (WP), which provides favorable conditions for CO2 activation, and it is found that the highest conversions are obtained in the case of reaction using the WP alone. A comparison of reactions using the WP alone (the WP case), the conventional catalyst alone (the CC case), and the WP plus catalyst (the WPC case) reveals that the WPC case can overcome the disadvantages of both the WP and CC cases. In the WPC case, CH4, CO2, and H2O react at the ideal stoichiometric ratio of CH4/CO2/H2O = 3/1/2. In addition, higher reactant conversions and energy efficiencies are obtained in the WPC case than in the WP case. A high-quality syngas with H2/CO = 2 is obtained, with similar conversions of (89 ± 1)% for all of CH4, CO2, and H2O and an energy efficiency of 71%.

Physics of pressurized hydrogen spontaneous ignition in pipes containing bends of different angles

In the context of hydrogen-based energy storage systems, the safeguarding against spontaneous ignition during high-pressure hydrogen release is of paramount importance. This study delves into the thermal safety and management technologies pertinent to such systems by numerically investigating the effects of pipeline geometry on the risk of spontaneous ignition. Employing Large Eddy Simulation (LES) coupled with detailed chemical kinetics and a linear eddy model, the research assesses the impact of different pipe angles and burst pressures on ignition behavior. The simulations are validated against experimental data, ensuring the veracity of the findings. The results demonstrate a significant interplay between the ignition propensity and both the geometrical configuration of the pipeline and the pressure of hydrogen release. Notably, the emergence and interaction of transverse waves in pipe bends are revealed to amplify mixing processes, generating vortices that elevate the temperature and promote a conducive environment for chemical reactions leading to stable flame propagation. The ignition is shown to occur predominantly near the stoichiometric mixture ratio, suggesting a narrow ignition region. These insights are vital for enhancing the safety protocols and thermal management strategies of hydrogen-based energy storage systems, paving the way for safer and more efficient energy solutions.

Electrospun catalyst layers using short-side-chain ionomer for low platinum and high performance PEMFCs

Proton exchange membrane fuel cells (PEMFCs) should further reduce the platinum consumption to lower their manufacturing costs and life-cycle carbon emissions. However, the performance of the catalyst layers with low-Pt loading needs to be improved. Short-side-chain (SSC) ionomers have been proven to enhance the catalytic activity of conventional catalyst layers. In this work, the SSC ionomer was applied to the electrospun catalyst layer, and achieved a remarkable improvement in the performance. With the use of commercially available catalyst, the membrane electrode assemblies (MEAs) prepared in this work exhibited a low total-Pt-consumption of 0.064 g kW−1 (stoichiometric ratios of 1.5/2.5 for H2/air, 80°C, 100 kPa) and achieved the 2025 target proposed by the US Department of Energy. Separating activation, ohmic, and concentration overpotentials, the performance enhancement of the electrospun catalyst layer mainly came from the decrease of ohmic overpotential and concentration overpotential. The electrospun ionomer membrane without catalyst was used as a research model to explore the proton transport properties inside the electrospun catalyst layer. The results showed that in the range of PEMFC operating temperature, the proton conductivity of the electrospun catalyst layer could be higher, but meanwhile the proton-conduction activation energy was also elevated. Compared with the conventional catalyst layer, the electrospun catalyst layer showed obviously better performance before and after accelerated stress test, thus verifying the practicality of the electrospun catalyst layers. This work provided a reference for the development of low platinum and high performance catalyst layers.

Preparation, characterization and properties of inclusion complexes of β-ionone with acyclic cucurbit[n]urils

The thermal stability of β-ionone was enhanced in this work by preparing two inclusion compounds (M1 and M2) using acyclic cucurbit[n]urils. The binding behavior of β- ionone was examined using XRD, 1H NMR, and FT-IR, and it was confirmed that host-guest inclusion compounds were successfully created. By the fluorescence titration, binding constant was measured the results shows that inclusion compound stoichiometric ratio was 1:1. In addition, controlled release and thermogravimetric studies demonstrate that the inclusion compound exhibits exceptional thermal stability. This research offers a fresh concept and approach for creating perfumes in the β- ionone series.

N limitation may inhibit the effectiveness of close-to-nature restoration measures for degraded alpine meadows on the northern Qinghai‒Tibet Plateau

As important terrestrial ecosystems on the Qinghai‒Tibet Plateau with important ecological and economic value, alpine meadows in some regions are in a degraded state due to climate change and unsustainable grazing. Due to the fragile ecological environment, exploring sustainable restoration models of degraded alpine meadows using close-to-nature restoration measures is the direction of ongoing efforts. Thus, in this study, three close-to-nature restoration measures, namely, manure application (M), Poa annua, Elymus dahuricus, and Puccinellia distans mixed with non-tillage reseeding (R), and the combined treatments (MR), were used to restore degraded alpine meadows from 2019 to 2021. The results showed that the M and MR treatments significantly enhanced plant biomass and reduced forbs dominance, thus improving community structure. Moreover, the M and MR treatments significantly affected plant and bacterial alpha diversity. However, the three restoration measures did not alter the correlation between the plant and bacterial communities. Furthermore, these three measures resulted in a significant increase in the plant carbon:nitrogen ratio and a significant decrease in the nitrogen:phosphorus ratio, while neither the plant carbon:phosphorus ratio nor the soil stoichiometric ratio changed significantly, indicating that nitrogen limitation was an important factor that limited the recovery process of the alpine meadows. The structural equation model indicated that the plant nitrogen:phosphorus ratio may regulate the response of plant and bacterial diversity to different restoration measures in alpine meadows. Our findings emphasize that the management of degraded alpine meadows using close-to-nature restoration measures should be a long-term effort, with more attention given to changes in the nitrogen content of meadow ecosystems.

Extraction of metal values from iron-rich mine tailings via chloridized roasting and water leaching

The surge in mining and mineral processing to meet metal demand has led to accumulation of mining by-products like tailings, waste rocks, and acid mine drainage, containing high iron, copper, nickel, and zinc concentrations. These residues pose environmental threats. The concept of technospheric mining aims to repurpose these wastes for beneficial uses, reducing disposal and ecological impact while benefiting stakeholders. Within this context, the present investigation focuses on the discriminative retrieval of copper and nickel from mine tailings characterized by elevated iron content. This is achieved through formulation of an energy-efficient technique designed to surmount the challenge of iron co-extraction during hydrometallurgical processes aimed at extracting and recuperating metal values from intricate phases. The proposed method entails the amalgamation of mine tailings and solid NH4Cl in a stoichiometric ratio of 1:2, followed by roasting at 300 °C for a span of 1h. Application of chloridized roasting orchestrates the transformation of copper and nickel into soluble metal chlorides, while concurrently inducing conversion of iron into a stable iron oxide state. Subsequent stages encompass the separation of copper and nickel from the water leach liquor, achieved through solvent extraction techniques utilizing LIX84I and Cyanex 272 as extractants. Rigorous characterization efforts, employing techniques such as X-ray Diffraction (XRD) and Scanning Electron Microscopy coupled with Energy Dispersive X-ray Spectroscopy (SEM-EDS), are undertaken to elucidate the attributes of the raw material and solid residues. Remarkably, the comprehensive isolation of copper, nickel, and iron is realized without generation of any effluents, ensuring preservation of environmental equilibrium.

Rehydration of degraded wetlands: Understanding drivers of vegetation community trajectories

AbstractDegradation of wetland ecosystems results from loss of hydrologic connectivity, nutrient enrichment, and altered fire regimes, among other factors. It is uncertain how drivers of wetland ecosystem processes and wetland vegetation communities interact in reversing the ecological trajectory from degraded to restored conditions. We analyzed biogeochemical and vegetation data collected in wetlands of the Florida Everglades at the start of (2015) and during (2018 and 2021) the initial stages of rehydration. Our objectives were to analyze the allocation of carbon and nutrients among ecosystem compartments and correlated trajectories of vegetation community change following rehydration, to identify the drivers of change, including fire, and analyze macrophyte species‐specific responses to drivers. We expected to see changes in vegetation toward more hydric communities that would differ based on wetland baseline conditions and the magnitude of the hydrologic change. During the study period, both length of inundation and surface water depth increased throughout wetlands in the region, and four fires occurred, which affected 51% of the sampling locations. We observed biogeochemical shifts in the wetland landscape, driven by both hydrology and fire. Total phosphorus concentrations in soil and flocculent detrital material decreased, while soil carbon:phosphorus and nitrogen:phosphorus mass ratios increased at sites further away from water management infrastructure. Transitions in vegetation communities were driven by an increase in hydroperiods and by the distinct changes in nutrient concentrations or soil stoichiometric ratios in each subregion. The abundance of macrophyte species typical of short‐hydroperiod prairies strongly decreased, while dominant long‐hydroperiod species, such as Eleocharis cellulosa, expanded. Fire facilitated the expansion of thickly vegetated plumes of invasive Typha at sites close to the water inflow sources. Overall, restored hydrology shifted vegetation community composition toward higher abundance of long‐hydroperiod species within six years. In contrast, removal of invasive vegetation controlled by soil phosphorus concentrations will likely require long‐term and interactive restoration strategies.

Dansyl-modified tryptophan fluorescence sensor for highly sensitive and selective detection of Hg2+ in aqueous solutions

A new fluorescent sensor of dansylated tryptophan (DW) was synthesized using solid phase peptide synthesis (SPPS). Upon the addition of different metal ions, only the presence of Hg2+ induced an increase in DW fluorescence intensity with a blue shift from 550 to 496 nm. DW was highly sensitive and selective for detecting Hg2+ with a low detection limit of 6.53 nM in 20 mM HEPES buffer (pH 7.4). The turn-on response could be attributed to the combination of chelation enhanced fluorescence (CHEF) and solvatochromic effects. The binding constant of DW with Hg2+ ion was determined to be 9.4 × 104 M−1/2 with a stoichiometric ratio of 2: 1. The DW + Hg2+ complex can be reversed with EDTA and reused with excellent circulation effect. The fluorescence lifetime and absolute quantum yield of DW were studied before and after the addition of Hg2+. Further characterizations of the interaction between DW and Hg2+ were conducted by IR and NMR.

Green synthesis of CoFe2O4 nanoparticles assisted with bio-waste (Gomutram): Sintering effect on the properties of structural, microstructural and vibrational bands

Synthesis of CoFe2O4 nanoparticles has been effectively accomplished by the cow-urine (Gomutram) as a chelating agent. The liberation of hazardous gases during the sol-gel synthesis process are minimized using cow-urine (Gomutram) as a chelating agent. The Energy Dispersive X-ray Spectrum offers insights on the current composition of ferrite by providing information on the stoichiometric ratio of its constituent elements. The X-ray diffraction patterns provide substantiation for the formation of the spinel phase of present ferrite system. The ferrite systems that underwent sintering at lower temperatures exhibited a more conspicuous amorphous morphology. The experimental lattice parameter (a) and average crystallite size (D) were found to be within the range of 8.0688–8.3779 Å and 3.7–9.4 nm respectively. Both a and D demonstrate an augmentation in magnitude due to the heat treatment procedure. The function of activation energy in the ripening of crystalline size during the sintering process is significant particularly in relation to grain boundary energy. The aggregation of nanoparticles into large clusters can be attributed to the strong magnetic interactions present among them. The inherent characteristics of scanning electron micrographs unambiguously demonstrate. The vibrational frequencies (υ1 and υ2) observed from Fourier Transform Infrared spectra confirm the spinel phase of the present ferrite system. The changes seen in vibrational frequencies do not offer empirical support for the association between annealing and the expansion of the lattice constant. But, offers an empirical support for the hypothetical redistribution of cations in the spinel structure.

Investigation of iron oxide supported on activated coke for catalytic reduction of sulfur dioxide by carbon monoxide

In view of the low utilization rate of by-product in limestone-gypsum wet flue gas desulfurization process, a method of catalytic reduction of SO2 to elemental sulfur was proposed. In this work, supported iron catalyst using activated coke as supporter was prepared and characterized. Moreover, the performance of SO2 reduction using CO as reducing agent at various Fe loadings, temperatures, gaseous hourly space velocities and CO/SO2 molar ratios was studied. Research shows that, compared with other metals, the highest catalytic activity is achieved over Fe-based catalyst. The iron sulfide is the main active component during the catalytic reduction reaction, hence the catalyst needs to be presulfided before use. The micropores of activated coke become more abundant after loading Fe, whereas excessive increase of Fe loading may bloke the mesopores and weaken the catalytic activity. Higher reaction temperature, lower GHSV and a stoichiometric molar ratio are conducive to the improvement of SO2 conversion and S yield. The catalytic performance at lower temperatures was further improved by loading Co. When the Co loading is 4 wt%, the SO2 conversion rate reaches 90.9% at 400 °C because loading Co enhances the redox performance of the catalyst surface. The findings are instructive for the development of cost-effective carbon-based catalysts for resource recovery of sulfur.

Colorimetric detection of clotrimazole environmental pollutant using a newly developed chemosensor; an experimental and theoretical study

ABSTRACT Clotrimazole (CTZ), as an antifungal medication, is used to treat dermatological infections in humans, and to remove fungal infections from plants in agriculture, but its widespread usage has led to pharmaceutical pollution and environmental concerns. In this study, a new bromopyrogallol red (BPR) and N i 2 + based colorimetric sensor was developed for the selective and sensitive detection of CTZ. The BPR-Ni complex showed a clear colour change from purple to violet in the presence of CTZ, and a significant change was observed in the UV-Vis spectrum. The stoichiometric ratio of 1:1 between BPR and N i 2 + was determined using the Benesi-Hildebrand method. DFT and time-dependent DFT (TD-DFT) were applied to identify the molecular and electronic structures of the BPR, BPR-Ni, and BPR-Ni-CTZ in ground and excited states. The nature of electronic excitations and charge transfers was evaluated using the natural transition orbitals (NTO). The NTO analysis reveals that the Ni atom facilitates the charge transfer process between BPR and CTZ and improves the sensitivity of the chemosensor. The quantum theory of atoms in molecules (QTAIM) was employed to determine the nature of interactions between BPR, N i 2 + , and CTZ. This study paves the way for the detection of environmentally harmful pharmaceutical pollution using simple but effective colorimetric sensors.

Experimental Study on Desulfurization Characteristics of Dry Sorbent Injection at Low SO2 Concentrations

AbstractTo effectively reduce SO2 emissions, flue gas desulfurization methods are widely used in coal‐fired power plants. In desulfurization, the dry sorbent injection (DSI) technology has the advantages of high desulfurization efficiency, simple operation, convenient adjustment, and low initial investment. Here, a pilot‐scale experimental system was designed and built to investigate the desulfurization characteristics of the DSI technology. The influence of the residence time of the desulfurizer, the reaction temperature, the stoichiometric ratio of the desulfurization reaction, the particle size of the desulfurizer, the inlet SO2 concentration, the dust concentration, and the water vapor content in the flue gas on the desulfurization efficiency at low SO2 concentrations was studied by injecting NaHCO3 into the pipeline. The desulfurization efficiency can be significantly improved by reducing the desulfurizer particle size or increasing the water vapor content in the flue gas at low SO2 concentration. An empirical formula describing the dependence of the desulfurization efficiency on experimental parameters is given.