Chemically Research Articles

Influence of Higher Order Chemical Reaction on Rotational and Permeable Radiative Flow with Interruption of Micro-organism

Objective: The concentration on the function of the non-Newtonian radiative Casson Nanofluid model via a permeable and stretchable cone has been investigated. The innovation of the problem is Casson, taken as base fluid, and Manganese Ferrite is dropped in the base fluid under the action of a higher-order chemical reaction. This study examines the convective magneto-hydrodynamic (MHD) flow of a conducting micro-organism fluid confined within a horizontal channel via stimulus of a transverse magnetic field (MHD) and thermal radiation parameter. Methods: The foremost partial differential equations (PDE) are changed into an arrangement of ordinary differential equations by applying adequate corresponding transform. The outputs of these equations are performed numerically employing the RK method and computed by well-established BVP4C MATLAB software Special features such as radiation, heat generation/absorption, Joule heating, and electrically conductive MHD are examined. Skin friction and Nusselt number are incorporated into the flow and results are tabulated and outcomes are discussed graphically. Findings: The system incorporates the effects of micro-organism, pressure gradient and the movement of the moving cone. The generated heat is significant enough to cause radiation from both the fluid and the dust particles. Solutions for velocity and temperature distributions of the fluid, as well as the velocity and energy of the dust particles, are obtained using a perturbation scheme. The analytical impact of numerous geometrical parameters on both fluid and dust particle profiles has been analyzed and illustrated graphically. The impact of nonlinear partial derivative formulations is developed subjected to boundary layer theory. Novelty: As labelled in the results, heterogeneous is the examination of thermal radiation in science and technology such as liquid metal fluids different momentum devices for missiles, and turbines of gas effects on thermal radiation are exhibited and distinguished in various investigations and mathematical applications uses of the view in which radiant production be dependent on temperature are point out as a new value to the prevailing literature. Keywords: Thermal radiation, Brownian motion, Buoyancy flow, Chemical reaction, Heat and Mass transfer, Rotating cone

Observation of an order change during the course of a reaction in a kinetic study of the reduction of trans-dicyanodibromoaurate(III) by octacyanotungstate(IV) in an acidic medium

AbstractThe reduction of dibromodicyanoaurate(III) ion by octacyanotungstate(IV) ions was studied under near stoichiometric conditions in an acidic medium. An order change occurred during the course of the reaction. The reaction was first order in Au(CN)2(Br)2– and second order in W(CN)84– for the first half-life, but after ca. 60% conversion became first order in both reactants. The order change is ascribed to two different AuII intermediates that form during the reaction course. A third order rate constant of k3 = 7.80 × 105 M−2 min−1 and a second order rate constant of k2 = 108 M−1 min−1 was found at [H+] = 1.633 × 10–3 M, an ionic strength of I = 0.11 M (NaBr) and at 25.0 ± 0.1 °C for the reaction. The reaction rate decreases with increasing [H+] in the reaction mixture at low pH and an experimental pKa of 1.80 ± 0.03 was found at 25.0 ± 0.1 °C for the deprotonation of HW(CN)83–. The reaction rate is independent of [Br−] and decrease with addition of W(CN)83– in the reaction mixture. Activation parameters have been obtained by a least-squares fit of the temperature data directly to the Eyring equation. Graphical abstract

Enhancement of Trihalomethane Adsorption Capacity Using Chitosan-Modified Coconut Shell Activated Carbon: Adsorption Characteristics and Mechanisms

There is a rising concern about the safety risk that trihalomethanes (THMs) in drinking water pose. In this work, to adsorb THMs such as chloroform (TCM), dibromochloromethane (DBCM), bromodichloromethane (BDCM), and bromoform (TBM), we coated chitosan (CS) on coconut shell activated carbon (CAC). The adsorbents were characterized using BET, XRD, FTIR, and SEM techniques. The impact of various variables was examined, including contact time, quantity of adsorbent, initial pH, and initial THM concentrations. Under the same conditions, TCM was adsorbed most efficiently, followed by BDCM, DBCM, and TBM. When the pH was between 4 and 8, the adsorption of THMs onto the coconut shell activated carbon supported chitosan (CS/CAC) varied relatively little; however, when the pH increased above 8, the adsorption of THMs decreased. For THMs, CS/CAC adsorption was a chemical reaction and monolayer adsorption that fit better with the pseudo-second-order kinetic model and the Langmuir isotherm model. According to the thermodynamic study, THMs were adsorbed endothermically and spontaneously on CS/CAC. For column experiments, the adsorption of THMs was influenced by bed height and flow rate. After up to four cycles of adsorption and desorption, it was found that the adsorbent was reusable. The maximum adsorption capacities for Langmuir were 187.27, 114.29, 93.28, and 89.61 µg/g for TCM, BDCM, DBCM, and TBM, respectively. CS/CAC has a high adsorption capacity, especially for TCM, which is responsible for a major portion of THMs in drinking water. This indicates that CS/CAC has a lot of potential uses when it comes to removing THMs from water.

Condensable Particulate Matter Removal and Its Mechanism by Phase Change Technology During Wet Desulfurization Process

Limestone-gypsum wet flue gas desulfurization (WFGD) played a key role in SOx removal and clean emissions. However, it would also affect the condensable particulate matter (CPM) removal and compositions. The effects of the WFGD system on the removal of CPM and the contents of soluble ions in CPM were investigated in a spray desulfurization tower at varied conditions. The results indicate that the emission concentration of CPM decreased from 7.5 mg/Nm3 to 3.7 mg/Nm3 following the introduction of cold water spray and hot alkali droplet spray systems. This resulted in a CPM reduction rate of approximately 51%, reducing the percentage of CPM in total particulate matter and solving the problem of substandard particulate matter emission concentrations in some coal-fired power plants. The concentrations of NO3−, SO42−, and Cl− among the soluble ions decreased by 41–66.6%. As the liquid−to−gas ratio of the cold water spray and hot alkali droplet spray increased, CPM came into contact with more spray, which accelerated dissolution and chemical reactions. Consequently, the CPM emission concentration decreased by 17.4–19%. The liquid−to−gas ratio has a great effect on the ion concentrations of NO3−, SO42−, Cl− and NH4+, with a decrease of 28–66%. The temperatures of the cold water spray and the hot alkali droplet spray primarily affect the ionic concentrations of SO42− and Ca2+, leading to a decrease of 32.3–51%. When the SO2 concentration increased from 0 mg/Nm3 to 1500 mg/Nm3, large amounts of SO2 reacted with the desulfurization slurry to form new CPM and its precursors, the CPM emission concentration increased by 57–68.4%. This study addresses the issue of high Concentration of CPM emissions from coal-fired power plants in a straightforward and efficient manner, which is significant for enhancing the air quality and reducing hazy weather conditions. Also, it provides a theoretical basis and technical foundation for the efficient removal of CPM from actual coal-fired flue gas.

Studies on the Oxidative Damage of the Wobble 5-Methylcarboxymethyl-2-Thiouridine in the tRNA of Eukaryotic Cells with Disturbed Homeostasis of the Antioxidant System

We have previously shown that 2-thiouridine (S2U), either as a single nucleoside or as an element of RNA chain, is effectively desulfurized under applied in vitro oxidative conditions. The chemically induced desulfuration of S2U resulted in two products: 4-pyrimidinone nucleoside (H2U) and uridine (U). Recently, we investigated whether the desulfuration of S2U is a natural process that also occurs in the cells exposed to oxidative stress or whether it only occurs in the test tube during chemical reactions with oxidants at high concentrations. Using different types of eukaryotic cells, such as baker’s yeast, human cancer cells, or modified HEK293 cells with an impaired antioxidant system, we confirmed that 5-substituted 2-thiouridines are oxidatively desulfurized in the wobble position of the anticodon of some tRNAs. The quantitative LC-MS/MS-MRMhr analysis of the nucleoside mixtures obtained from the hydrolyzed tRNA revealed the presence of the desulfuration products of mcm5S2U: mcm5H2U and mcm5U modifications. We also observed some amounts of immature cm5S2U, cm5H2U and cm5U products, which may have indicated a disruption of the enzymatic modification pathway at the C5 position of 2-thiouridine. The observed process, which was triggered by oxidative stress in the living cells, could impair the function of 2-thiouridine-containing tRNAs and alter the translation of genetic information.

High‐Performance Synaptic Devices Based on Cross‐linked Organic Electrochemical Transistors with Dual Ion Gel

AbstractOrganic electrochemical transistors (OECTs) represent a promising approach for flexible, wearable, biomedical electronics, and sensors integrated with diverse substrates. Their ability to operate at low voltages and interact effectively with biological systems makes them particularly suitable for neuromorphic applications. For neuromorphic devices, OECTs must enhance electrical performance, biocompatibility, and signal storage/erasure capabilities. While UV cross‐linking methods with various side effects on organic semiconductors are predominant in improving mobility and current retention time, thermal cross‐linking based on the solution process has not been extensively explored. Additionally, despite significant research on the modification of electrolyte property, the ionic charge compensation mechanisms between multiple electrolytes are still unclear. This study employs a cross‐linking strategy involving the chemical reaction of poly(3‐hexylthiophene‐2,5‐diyl) (P3HT) with di‐tert‐butyl‐peroxide (DTBP) to create a cross‐linked P3HT active layer. Furthermore, a dual ion gel structure combining a conventional ion gel with a chitosan‐based ion gel is investigated for increased ionic transport to enhance OECT performance. Using the above two methods, the enhanced electrical performance showing the mobility of 25 F cm−1 V−1 s−1 and synaptic properties showing long‐term plasticity of cross‐linked OECTs with a dual ion gel structure are demonstrated, suggesting their potential application as high‐performance neuromorphic devices.

Highly Specific and Rapid Multiplex Identification of Candida Species Using Digital Microfluidics Integrated with a Semi-Nested Genoarray.

Candida species are the most common cause of fungal infections around the world, associated with superficial and even deep-seated infections. In clinical practice, there is great significance in identifying different Candida species because of their respective characteristics. However, current technologies have difficulty in onsite species identification due to long turnover time, high cost of reagents and instruments, or limited detection performance. We developed a semi-nested recombinase polymerase amplification (RPA) genoarray as well as an integrated system for highly specific identification of four Candida species with a simple design of primers, high detection sensitivity, fast turnover time, and good cost-effectiveness. The system constructed to perform the assay consists of a rapid sample processing module for nucleic acid release from fungal samples in 15 min and a digital microfluidic platform for precise and efficient detection reactions in 35 min. Therefore, our system could automatically identify specific Candida species, with a reagent consumption of only 2.5 μL of the RPA reaction mixture per target and no cross-reaction. Its detection sensitivity for four Candida species achieved 101-102 CFU/mL, which was 10-fold better than conventional RPA and even comparable to a common polymerase chain reaction. Evaluated by using cultured samples and 24 clinical samples, our system shows great applicability to onsite multiplex nucleic acid analysis.

A scientific report on heat transfer analysis due to generated and absorbed heat over an oscillatory stretching sheet: a finite difference-based study.

A non-Newtonian liquid motion across a stretchable surface is relevant to various industrial applications, including extruding plastic sheets and stretching plastic films. In connection with this, the impact of endothermic and exothermic chemical reactions on the flow of rate-type liquid via an oscillatory stretching sheet in the presence of permeable media with the Maxwell liquid model is elucidated in the present study. Scientists and engineers may enhance the efficiency of chemical reactions or heat transmission by optimising system flow and investigating the effect of reactions on flow dynamics. The present study's governing partial differential equations (PDEs) are transformed into their non-dimensional form using similarity variables. The resulting equations are numerically solved using the finite difference method (FDM). Outcomes disclose that the temperature profile declines as the activation energy and unsteadiness parameters increase. The influence of the Maxwell and unsteadiness parameters on the fluid's velocity with respect to time is represented. The rise in the values of chemical reaction parameter upsurges the thermal profile. As the activation energy and unsteadiness parameters upsurge, the thermal profile declines. As the chemical reaction parameter and the ratio of oscillation frequency to stretching rate values rise, the concentration profile falls.

Revealing the antioxidant properties of alkyl gallates: a novel approach through quantum chemical calculations and molecular docking.

This study investigates the antioxidant potential of alkyl gallates (C1-C10), focusing on the impact of alkyl chain length and solvent polarity on their antioxidant properties. Known for their biomedical relevance in mitigating oxidative stress, alkyl gallates' structure-activity relationships, particularly regarding chain length and environmental factors, still need to be explored. Key thermochemical parameters, including bond dissociation enthalpy (BDE), ionization potential (IP), proton affinity (PA), and electron transfer enthalpy (ETE), reveal that shorter alkyl chains (C1-C4) exhibit superior antioxidant activity. In contrast, longer chains (C5-C10) show reduced effectiveness due to steric hindrance and lower solubility in polar solvents. Molecular docking studies also demonstrated favorable binding interactions with vital biological targets, further reinforcing their antioxidant potential. Quantum chemical calculations were performed using Gaussian 16 with the B3LYP/6-311G(dp) basis set for geometry optimizations. Solvent effects were modeled using the integral equation formalism-polarized continuum model (IEF-PCM). Molecular docking studies were conducted using AutoDockTools 4.2, targeting Tyrosine Kinase Hck, Heme Oxygenase, and Human Serum Albumin to evaluate fundamental binding interactions. These computational methods provided insights into alkyl gallates' chemical reactivity and antioxidant efficiency, allowing for the rational design of more potent antioxidant compounds.

Computational role of homogeneous–heterogeneous chemical reactions and a mixed convective ternary hybrid nanofluid in a vertical porous microchannel

Abstract This article mainly scrutinizes the heat transfer and flow characteristics of a mixed convection ternary hybrid nanofluid in a porous microchannel considering the catalytic chemical reaction and nonuniform heat absorption/generation. Using appropriate similarity transformations, the modeled equations are converted into reduced ones and then solved via the Runge–Kutta–Fehlberg 4th/5th order method. To strengthen this analysis, the convection mechanism has been deployed. The effect of pertinent physical parameters on the fluid motion and thermal field is displayed, including some important engineering variables like the Nusselt number, Sherwood number, and drag force. The novel outcomes display that the flow reduces with porous permeability and nanoparticle volume fraction. The temperature of the nanofluid improves with nonuniform heat absorption/generation. The concentration decreases in the presence of both homogeneous and heterogeneous reaction intensities. The heat transfer rate enhances for the Eckert number, and a similar influence on the mass transfer rate is noticed for homogeneous reaction parameters. Further, the drag force declines for the Grashof number. The outcomes show that, in all cases, the ternary hybrid nanofluid shows a greater impact than the nanofluid. The attained findings represent applications in the era of cooling and heating systems, thermal engineering, and energy production.

Non-Innocent Role of Sacrificial Anodes in Electrochemical Nickel-Catalyzed C(sp2)-C(sp3) Cross-Electrophile Coupling.

Sacrificial anodes composed of inexpensive metals such as Zn, Fe, and Mg are widely used to support electrochemical nickel-catalyzed cross-electrophile coupling (XEC) reactions, in addition to other reductive electrochemical transformations. Such anodes are appealing because they provide a stable counter-electrode potential and typically avoid interference with the reductive chemistry. The present study outlines the development of an electrochemical Ni-catalyzed XEC reaction that streamlines access to a key pharmaceutical intermediate. Metal ions derived from sacrificial anode oxidation, however, directly contribute to homocoupling and proto-dehalogenation side products that are commonly formed in chemical and electrochemical Ni-catalyzed XEC reactions. Use of a divided cell limits interference by the anode-derived metal ions and supports a high product yield with negligible side product formation, introducing a strategy to overcome one of the main limitations of Ni-catalyzed XEC.

Structural modification of high carbon Co−Cr−Mo alloy via chemical etching to enhance hydroxyapatite coating performance

AbstractNumerous papers have been reported on surface treatment of metallic implant to facilitate positive interaction between the implant and hard tissue interface. In this paper, surface treatment such as chemical etching was done on the biomedical grade cobalt‐based alloy prior to hydroxyapatite coating deposition to enhance its biocompatibility. The objective is to investigate which temperature possesses the positive effect in adhesion strength of hydroxyapatite coating without detrimental the surface hardness. Observation showed that acid etched at the highest temperature (80 °C) has successfully roughen the substrate surface from 0.168 μm ±0.1 μm to 1.383 μm ±0.2 μm. Vickers hardness measurement on surface treated at 80 °C exhibit an increment of surface hardness which is about 39 % compared to surface treated at lower temperature. The highest thickness of hydroxyapatite coating layer (~57 μm) was evidently formed on the substrate etched at 80 °C with minimal cracks and no delamination. This phenomenon happened due to chemical reaction were rigorously attack on the substrate surface have provide more micro‐pits, pores and deeper craters that trap more efficiently of hydroxyapatite particles for thicker and dense coating formation. It is worth to note that too long acid soaking will also detrimental the material properties.

Recent Advances of Stimuli-Responsive Liquid-Liquid Interfaces Stabilized by Nanoparticles.

Liquid-liquid interfaces offer highly controlled, flexible, and adaptable platforms for precise molecular assemblies, enabling the construction of sophisticated functional materials. Interfacial assemblies of specific nanoparticles (NPs) and ligands can alter their physicochemical states under external stimuli, leading to macroscopic dynamic transformations at the interface. This Review summarizes and analyzes the recent advances of the assembly and disassembly behaviors of various stimuli-responsive nanoparticle surfactants (NPSs) at liquid-liquid interfaces, focusing on their responsive behaviors when exposed to external stimuli and the interaction forces between interfacial molecules. Additionally, we outline recent advancements in applications such as reconfigurable all-liquid devices, all-liquid 3D printing, and chemical reaction platforms. Finally, we discuss current challenges and future prospects for the development of applications in this rapidly evolving field.

Repurposing of drug candidates against Epstein-Barr virus: Virtual screening, docking computations, molecular dynamics, and quantum mechanical study.

Epstein-Barr virus (EBV) was the first tumor virus identified in humans, and it is mostly linked to lymphomas and cancers of epithelial cells. Nevertheless, there is no FDA-licensed drug feasible for this ubiquitous EBV viral contagion. EBNA1 (Epstein-Barr nuclear antigen 1) plays several roles in the replication and transcriptional of latent gene expression of the EBV, making it an attractive druggable target for the treatment of EBV-related malignancies. The present study targets EBV viral reactivation and upkeep by inhibiting EBNA1 utilizing a drug-repurposing strategy. To hunt novel EBNA1 inhibitors, a SuperDRUG2 database (> 4,600 pharmaceutical ingredients) was virtually screened utilizing docking computations. In accordance with the estimated docking scores, the most promising drug candidates then underwent MDS (molecular dynamics simulations). Besides, the MM-GBSA approach was applied to estimate the binding affinities between the identified drug candidates and EBNA1. On the basis of MM-GBSA//200 ns MDS, bezitramide (SD000308), glyburide (SD001170), glisentide (SD001159), and glimepiride (SD001156) unveiled greater binding affinities towards EBNA1 compared to KWG, a reference inhibitor, with ΔGbinding values of -44.3, -44.0, -41.7, -40.2, and -32.4 kcal/mol, respectively. Per-residue decomposition analysis demonstrated that LYS477, ASN519, and LYS586 significantly interacted with the identified drug candidates within the EBNA1 binding pocket. Post-dynamic analyses also demonstrated high constancy of the identified drug candidates in complex with EBNA1 throughout 200 ns MDS. Ultimately, electrostatic potential and frontier molecular orbitals analyses were performed to estimate the chemical reactivity of the identified EBNA1 inhibitors. Considering the current outcomes, this study would be an adequate linchpin for forthcoming research associated with the inhibition of EBNA1; however, experimental assays are required to inspect the efficiency of these candidates.

Force-Assisted Orbital Crossing in Mechanochemical Oxirane Ring Opening.

Polymer mechanochemistry induces chemical reactivity by applying a directed force, which can lead to unexpected reaction mechanisms. Strained cyclic molecules are often used in force-sensitive motifs because of the strong force coupling of ring-opening reactions. In this computational study, the force dependence of the ring-opening reactions of oxirane will be investigated. Density functional theory and multireference methods were used to investigate the electronic character of both symmetry-allowed and symmetry-forbidden reactions. In the latter case, an orbital crossing occurs during the reaction course, forcing the Woodward-Hoffmann-forbidden reaction to proceed via a diradical pathway. The performance of broken-symmetry density functional theory is evaluated and compares well to high-accuracy CASPT2, MRCI, and ic-MRCC computations. Due to the high ring strain, the barrier heights of both ring-opening reactions are steeply reduced by the application of an external force. Furthermore, the use of unsaturated linkers was shown to yield a significant reduction of the barrier heights, explaining previous experimental findings. Finally, we show through analysis of the PES topology how the external force transforms characteristic points such as saddle points and bifurcations, providing insights into force-dependent mechanism changes.

Electric‐Field Catalysis on Carbon Nanotubes in Electromicrofluidic Reactors: Monoterpene Cyclizations

AbstractThe control over the movement of electrons during chemical reactions with oriented external electric fields (OEEFs) has been predicted to offer a general approach to catalysis. Recently, we suggested that many problems to realize electric‐field catalysis in practice under scalable bulk conditions could possibly be solved on multiwalled carbon nanotubes in electromicrofluidic reactors. Here, we selected monoterpene cyclizations to assess the scope of our system in organic synthesis. We report that electric‐field catalysis can function by stabilizing both anionic and cationic transition states, depending on the orientation of the applied field. Moreover, electric‐field catalysis can promote reactions which are barely accessible by general Brønsted and Lewis acids and field‐free anion‐π and cation‐π interactions, and drive chemoselectivity toward intrinsically disfavored products without the need for pyrene interfacers attached to the substrate to prolong binding to the carbon nanotubes. Finally, interfacing with chiral organocatalysts is explored and evidence against contributions from redox chemistry is provided.

The bioactive constituents from the fruits of Elaeagnus angustifolia L.

Multiple spectroscopic, chromatographic, and chemical reaction methods were combined to investigate the chemical components in the fruits of Elaeagnus angustifolia L. As results, thirty-two compounds were obtained from it as natural products. Six of them, elangphenosides A (1), B (2), C (3) and D (4), elangmegastigmanoside A (5), and elangorganic acid A1 (6) were retrieved by Scifinder as previously undescribed ones. Additionally, a previously undescribed artificial product, elangorganic acid A2, as well as a known artificial one, (3R) 5-ethoxy-3-(ethoxycarbonyl)-3-hydroxy-5-oxopentanoic acid, were yielded. Following the phytochemical investigation, LC-MS analysis was employed to conduct a systematical characterization of the constituents from E. angustifolia fruits. Ultimately, fifty-six compounds, including seventeen phenols, one ionone, twenty-four triterpenes, and fourteen other ones, were unambiguously detected and identified. Moreover, in vitro anti-inflammatory activity screening of forty-four natural compounds presented in E. angustifolia fruits was performed by using the LPS-induced RAW264.7 cell model. Twenty-six compounds, including phenols, organic acids, and other compounds, showed assignable activity. Furthermore, their structure-activity relationships were summarized. Combined with the previous research work in our lab, triterpenes, phenols, and organic acids were speculated to be key components during the E. angustifolia fruits exerting anti-inflammatory activity. In summary, this article fully explored the chemical composition of E. angustifolia fruits, assayed their in vitro NO production inhibitory effects, greatly expanding its material foundation and laying a solid foundation for further research and development.

Metal- and Photocatalyst-Free Sulfonylcyanation of [1.1.1]Propellane with Sulfonyl Cyanide

Background: Bicyclo[1.1.1]pentanes (BCPs), recognized as bioisosteres for para-disubstituted benzene rings, have gained prominence as valuable bioactive scaffolds in drug research. Methods: This study describes a radical-coupling method for the synthesis of sulfonyl-, cy-ano-substituted BCPs from sulfonyl cyanide and [1.1.1]propellane. In this study, the synthet-ic schemes were designed to show the chemical reactions. Nuclear Magnetic Resonance (NMR) and Mass Spectrometry (MS) were used to identify and characterize the final com-pounds. Results: This method does not require photocatalysts, metals, or light, generating BCP ni-triles as a useful building block. The synthetic potential of this mild protocol was showcased by the diverse transformations. Conclusion: This versatile method significantly expands the range of BCP-type bioisosteres that can be generated.

A Pseudo‐catalytic Network Motif for Thiol‐based Chemical Reaction Networks

AbstractThe construction of chemical reaction networks (CRNs) is a formidable challenge because of their holistic and nonlinear nature. One approach to constructing CRNs involves combining fragments with distinctive properties, known as network motifs. Thiol chemistry is widely used in the construction of CRNs, with motifs available for positive and negative feedback loops. However, a simple catalytic motif has been lacking. Here, we developed a pseudo‐catalytic motif using the reaction between cystamine and organic thiocyanates, which operates through a nucleophilic chain mechanism. Although similar to thiol autocatalytic systems, this reaction does not involve a doubling of the number of thiol species at any stage. The reaction is high‐yielding and produces 2‐amino‐2‐thiazoline. Its pseudo‐catalytic nature manifests itself in the nearly linear relationship between the reaction rate and the amount of free thiols added at the beginning of the reaction. We demonstrated that this reaction can be regulated by external, time‐dependent thiol signals and integrated into larger CRNs. We believe that this system will be a valuable addition to thiol chemistry, enabling the construction of CRNs with interesting functionalities.

A Comparison Between the Reduction Behavior of DRI and BF Pellets in H2 and CO Atmospheres

AbstractThe reduction behavior of two different iron ore pellets that are used in blast furnace (BF) and direct reduction (DRI) was investigated in this research. Single pellets reduction experiments were conducted isothermally using pure CO and H2 as reducing agent in the temperature range 700 °C to 1100 °C. Reduction by H2 was significantly faster than reduction by CO for both pellets and reduction rate increased with increasing the temperature. When CO was used as the reducing agent, the BF pellet achieved a reduction degree of 32% at 700 °C and 67% at 800 °C, while the DRI pellet reached 28% and 59% at the same temperatures. This difference is due to the lower magnetite content in BF pellets (1.93%) compared to DRI pellets (9.11%). However, at 1000 °C and 1100 °C, the DRI pellet achieved 93% and 100% reduction, and the BF pellet 88% and 94%, respectively, due to the higher porosity in the DRI pellet (38%) compared to BF (32%). Kinetics controlling model for hydrogen reduction of both pellets suggested as D2 (2D Diffusion through the solid ash), however, A1 (1D Nucleation and growth) and R3 (3D Chemical reaction) were found as the most compatible models for CO reduction of DRI and BF pellets, respectively. Graphical Abstract