Multicomponent Process Research Articles

The Preparation of C-S-H Powder Seeds and Their Effect on the Early Hydration Performance of Cement Paste

C-S-H/PCE suspension can boost the hydration degree and strength of cement composite binding. However, the suspension will inevitably precipitate after a period of time, which is not conducive to its preservation, and its low solid content increases transportation costs in practical applications. In this study, utilizing synthetic PCE as a template, C-S-H/PCE suspension was synthesized using a co-precipitation method. Subsequently, powder seeds were produced via the spray-drying technique, and these prepared powder seeds were analyzed via microscopic characterization. The impact of these powder nucleating agents on cement hydration kinetics was evaluated through hydration heat measurements and hydration degree, fluidity, and compressive strength testing. The results indicated that these powder seeds exhibited a nano-film morphology. Their nucleation effect significantly enhanced the cement hydration rate, increased the degree of hydration, and improved strength. The hydration kinetics showed that the hydration of cement mixed with nucleating agents was not governed by a single reaction mechanism, but rather constitutes a complex, multi-component reaction process. As the content of nucleating agents increased, higher dosages of nucleating agents accelerated the production of more products within a short period, causing the system to rapidly transition to phase boundary reaction control. When the dosage of nucleating agents reached 2%, the cement hydration process bypassed the phase boundary reaction control stage and transitioned directly from the crystallization nucleation and crystal growth control process to the diffusion-controlled phase. Although the influence of powder seeds on the enhancement of the early-stage strength of mortar was slightly lower than that of the suspension, the powder was beneficial to its storage and transportation. Therefore, it has the potential to replace the suspension.

Self-Driving Tool, Digital Twin, and Machine Learning Algorithms for the Real Time Optimization of the ALD Growth of Multicomponent Thin Films Using in Situ Techniques

The design of optimal sequences for multicomponent ALD processes can be a time-consuming procedure: transient effects can appear each time that one switches to a different precursor, making it hard to predict beforehand the desired composition. Consequently, researchers usually resort to trial runs to calibrate the film composition, and combination of precursors with well-behaved nucleation behaviors and fast transients are highly prized. While effective for processes involving two different precursors, this empirical approach makes it hard to extend ALD to explore more complex materials involving ternary or quaternary compounds.In this work we explore an alternative approach that uses machine learning integrated with in-situ techniques to optimize the composition of multicomponent films. Our approach relies on digital twins to train, optimize, and benchmark algorithms that build the sequence of ALD cycles in real time from the feedback of in-situ data. These models allow us to generate a wide range of processes with different types of nucleation behaviors, providing the ideal testbed for the development of robust algorithms. We then transfer these algorithms into our experimental reactors for the exploration and optimization of processes involving two and three different types of oxide materials. Our results show that it is possible to drive the optimization of binary and ternary ALD processes using solely the growth per cycle of the individual processes as input, with the algorithm being robust across different nucleation behaviors. The main limitation of the proposed approach is that, for techniques showing a net change in the material, such as quartz crystal microbalance, it is not possible to consider systems that exhibit a substantial amount of etching, such the ZnO/Al2O3 process involving diethyl zinc and trimethyaluminum precursors. This would not be a limitation for techniques providing direct compositional information, such as X-ray fluorescence, or those focusing on materials properties, such as in-situ spectroscopic ellipsometry.This research is based on the work supported by the Laboratory Directed Research and Development (LDRD) funding from the Argonne National Laboratory, provided by the Director, Office of Science, of the U.S. DOE under Contract No. DE-AC02-06CH11357.

Synthesis, Characterization, DFT Analysis, Pharmacokinetics, and Inhibition of Mpro and RdRp of SARS-CoV-2 by Two Dihydropyrimidines Derivatives

In this work, two dihydropyrimidines derivatives: Ethyl 4-(2-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (2-DHPM) and Ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (4-DHPM), were produced by a multi-component process, whose the yields were 83% and 90% respectively. FT-IR, UV-Vis, melting point, and NMR spectroscopy techniques were used to determine the structures of the two substances. Also, the density functional theory (DFT) was employed to discuss the reactivity of the created molecules as well as some parameters, including the energies of the frontier molecular orbitals (HOMO and LUMO), the dipole moment(µ), the energy gap ΔEgap (ELUMO-EHOMO), the global hardness (η), the global softness (σ), the absolute electronegativity (χ), and the electrophilicity index (ω). Also, predicted ADME-T were performed and the obtained parameters indicated that the compounds under investigation should have good oral bioavailability. Additionally, in silico docking was used to evaluate the studied derivative's inhibitory activity for the SARS-CoV-2 main protease (Mpro) and RNA dependent RNA polymerase (RdRp). These discoveries might open the door for the creation and evaluation of brand-new SARS-CoV-2 treatments.

A concurrent approach for determining binary isotherm and optimizing moving bed adsorber for solid amine adsorbent in the coexistence of CO2 and H2O

A concurrent approach, which allows for determining multi-component equilibrium isotherms and designing a multi-component adsorption process within a realistic amount of time and effort, is demonstrated for the first time in a moving bed process using an amine-impregnated solid adsorbent in the presence of CO2 and H2O. The proposed approach extracts measurement points for the binary isotherms from the temperature and partial pressure regions that exist in the optimized process from all potential combinations of CO2 partial pressure, H2O partial pressure, and temperature. At the extracted points, the equilibrium adsorption amounts were measured experimentally to obtain multi-component adsorption amount data, with which the binary isotherm parameters were determined by the Tikhonov regularization. The accuracy of the equilibrium isotherm was further improved iteratively by repeating the steps described above. The proposed approach enables us to determine the binary interactions parameters in the isotherm model reducing the multi-component measurement points only to 12, while obtaining the optimized process operation at the same time.

Theoretical Investigations of 2H‐Iminopyran Derivatives: A Computational Chemistry Approach

AbstractThis study is a theoretical approach to elucidate the structural, energetic, and spectroscopic properties of already synthesized derivatives of 2H‐iminopyran (4a–4j) by us. Our findings reveal that molecular symmetry, dipole moment, polarizability, and global reactivity descriptors significantly influence the behavior of these compounds within the context of multicomponent reactions. Molecular electrostatic potential surfaces (MEPS) provide valuable insights into potential reactive sites and intermolecular interactions, crucial for understanding the efficiency and selectivity of multicomponent processes that are found to be in accordance with the experimental results. Thermodynamic analysis offers further clarification on the driving forces behind the formation of these compounds. These insights can be leveraged to optimize reaction conditions, design novel multicomponent strategies, and predict the outcome of future synthetic endeavors in this area.

Comparison of the Reaction Characteristics of Different Fuels in the Supercritical Multicomponent Thermal Fluid Generation Process

Supercritical multicomponent thermal fluid technology is a new technology with obvious advantages in offshore heavy oil recovery. However, there is currently insufficient understanding of the generation characteristics of the supercritical multicomponent thermal fluid, which is not conducive to the promotion and application of this technology. In order to improve the economic benefits and applicability of the supercritical multicomponent thermal fluid thermal recovery technology, this article reports on indoor supercritical multicomponent thermal fluid generation experiments and compares the reaction characteristics of different fuels in the supercritical multicomponent thermal fluid generation process. The research results indicate that the main components of the products obtained from the supercritical water–crude oil/diesel reaction are similar. Compared to the supercritical water–crude oil reaction, the total enthalpy value of the supercritical multicomponent thermal fluid generated by the supercritical water–diesel reaction is higher, and the specific enthalpy is lower. When the thermal efficiency of the boiler is the same, the energy equilibrium concentration of crude oil is lower than that of diesel. The feasibility of using crude oil instead of diesel to prepare supercritical multicomponent thermal fluids is analyzed from three aspects: reaction mechanism, economic benefits, and technical conditions. It is believed that using crude oil instead of diesel to prepare supercritical multicomponent thermal fluids has good feasibility.

Modular Synthesis of Heterobenzylic Amines via Carbonyl Azinylative Amination.

Transformations enabling the synthesis of α-alkyl, α'-2-azinyl amines by addition of 2-heteroaryl-based nucleophiles to in situ-generated and non-activated alkyl-substituted iminium ions are extremely rare. Approaches involving classical 2-azinyl organometallics, such as the corresponding Grignard reagents, often fail to produce the desired products. Here, we report an operationally straightforward solution to this problem through the development of a multicomponent coupling process wherein a soft 2-azinyl indium nucleophile, generated in situ from the corresponding 2-iodo heteroarene and indium powder, adds to an iminium ion that is also formed directly in the reaction. This modular carbonyl azinylative amination (CAzA) displays a broad scope and only a metal reductant is needed to generate a reactive 2-azinyl nucleophile. Beyond the addition to iminium ions, the 2-azinyl addition to polyfluoromethyl ketones forms the corresponding tertiary alcohols. Together, the products of these reactions possess a high degree of functionality, are typically challenging to synthesize by other methods, and contain motifs recognized as privileged in the context of pharmaceuticals and agrochemicals.

Multicomponent Construction of Tertiary Alkylamines by Photoredox/Nickel-Catalyzed Aminoalkylation of Organohalides.

Tertiary alkylamines are privileged structural motifs widely present in natural products, pharmaceutical agents, and bioactive molecules, and their efficient synthesis has been a longstanding goal in organic chemistry. The functionalization of α-amino radicals derived from abundant precursors represents an emerging approach to accessing alkylamines, but application of this strategy to obtain tertiary alkylamines remains challenging. Here, we show that dual photoredox/nickel catalysis enables aminoalkylation of organohalides (sp2- and sp3-hybridized) in combination with secondary alkylamines and aldehydes. The multicomponent process proceeds through selective generation of α-amino radicals from the reduction of in situ-generated iminium ions by photoredox catalysis, followed by nickel-catalyzed cross-coupling to build a wide array of functionally diverse tertiary alkylamines. This strategy could also be extended to unprecedented four-component reactions and their asymmetric variants to deliver enantioenriched α-aryl-substituted γ-amino acid derivatives. Taken together, this work offers a streamlined synthetic route to aliphatic tertiary amines.

Efficient control scheme development for a highly integrated multi-component distillation process

This research aims to address intricate control challenges in a highly integrated multi-component distillation process within a polyolefin elastomers plant. The studied process incorporates various process intensification techniques into a unified unit, resulting in strong interactivity and presenting unique control challenges. To tackle these challenges, a rigorous mathematical model of the distillation process is established, and index reduction is employed to handle the high-index DAE system. Various control structures and algorithms are utilized to comprehensively assess their feasibility and effectiveness in disturbance rejection, setpoint tracking, and handling inaccurate measurements. The control structures include temperature inferential control, temperature-composition hybrid control, and composition control. The control algorithms encompass PI control, linear model predictive control (LMPC), and nonlinear model predictive control (NMPC). Results indicate that both temperature-composition hybrid control and composition control exhibit comparable and superior performance. This suggests that temperature-composition hybrid control is an effective and cost-efficient configuration for complex distillation systems. The dynamic responses of MPC outperform those of PI control, as evidenced by a reduction in the integral of the absolute error. NMPC exhibits the most outstanding performance in all scenarios, showcasing the smallest maximum deviations and shortest settling times.

Modular Synthesis of Heterobenzylic Amines via Carbonyl Azinylative Amination

AbstractTransformations enabling the synthesis of α‐alkyl, α′‐2‐azinyl amines by addition of 2‐heteroaryl‐based nucleophiles to in situ‐generated and non‐activated alkyl‐substituted iminium ions are extremely rare. Approaches involving classical 2‐azinyl organometallics, such as the corresponding Grignard reagents, often fail to produce the desired products. Here, we report an operationally straightforward solution to this problem through the development of a multicomponent coupling process wherein a soft 2‐azinyl indium nucleophile, generated in situ from the corresponding 2‐iodo heteroarene and indium powder, adds to an iminium ion that is also formed directly in the reaction. This modular carbonyl azinylative amination (CAzA) displays a broad scope and only a metal reductant is needed to generate a reactive 2‐azinyl nucleophile. Beyond the addition to iminium ions, the 2‐azinyl addition to polyfluoromethyl ketones forms the corresponding tertiary alcohols. Together, the products of these reactions possess a high degree of functionality, are typically challenging to synthesize by other methods, and contain motifs recognized as privileged in the context of pharmaceuticals and agrochemicals.

Modeling freezing and BioGeoChemical processes in Antarctic sea ice

AbstractThe Antarctic sea ice, which undergoes annual freezing and melting, plays a significant role in the global climate cycle. Since satellite observations in the Antarctic region began, 2023 saw a historically unprecedented decrease in the extent of sea ice. Further ocean warming and future environmental conditions in the Southern Ocean will influence the extent and amount of ice in the Marginal Ice Zones (MIZ), the BioGeoChemical (BGC) cycles, and their interconnected relationships. The so‐called pancake floes are a composition of a porous sea ice matrix with interstitial brine, nutrients, and biological communities inside the pores. The ice formation and salinity are both dependent on the ambient temperature. To realistically model these multiphasic and multicomponent coupled processes, the extended Theory of Porous Media (eTPM) is used to develop Partial Differential Equations (PDEs) based high‐fidelity models capable of simulating the different seasonal variations in the region. All critical variables like salinity, ice volume fraction, and temperature, among others, are considered and have their equations of state. The phase transition phenomenon is approached through a micro‐macro linking scheme. In this paper, a phase‐field solidification model [4] coupled with salinity is used to model the microscale freezing processes and up‐scaled to the macroscale eTPM model. The evolution equations for the phase field model are derived following Landau‐Ginzburg order parameter gradient dynamics and mass conservation of salt allowing to model the salt trapped inside the pores. A BGC flux model for sea ice is set up to simulate the algal species present in the sea ice matrix. Ordinary differential equations (ODE) are employed to represent the diverse environmental factors involved in the growth and loss of distinct BGC components. Processes like photosynthesis are dependent on temperature and salinity, which are derived through an ODE‐PDE coupling with the eTPM model. Academic simulations and results are presented as validation for the mathematical model. These high‐fidelity models eventually lead to their incorporation into large‐scale global climate models.

A low-Mach volume-of-fluid model for the evaporation of suspended droplets in buoyancy-driven flows

This study introduces a comprehensive numerical model capable of simulating the evaporation of suspended droplets under different gravity conditions. Unlike previous studies, this work provides a detailed description of the multicomponent evaporation process by integrating: (i) interface-resolved evaporation; (ii) suspension by the action of the surface tension force, and (iii) variable physical properties. The model effectively captures complex phenomena such as thermal expansion, natural convective fluxes, and liquid internal recirculation, which cannot be directly resolved using more widespread spherically-symmetric models. Validation against experimental data confirms the model’s accuracy in predicting the droplet evaporation dynamics, and its utility in resolving discrepancies between prior numerical simulations results and experimental data. The model was implemented in the Basilisk framework; both the code and the simulations setups are freely available on the Basilisk sandbox.

Finding possible diagnostic markers for differentiating benign and malignant thyroid tumors on example investigate of rheological properties1.

The functioning of the thyroid gland is a multi-component process that in some conditions may undergo alterations. The thyroid gland is part of the endocrine system that produces the iodine-containing hormones thyroxine and triiodothyronine. Thyroid hormones, control metabolism and energy, growth processes, maturation of tissues and organs, regulation of blood flow, and, therefore, providing vital functions of the body. The role of thyroid hormones in the regulation of blood flow is determined by the intensity of their production and the quantity in the blood. Presumably, in case of oncological and non-oncological diseases of the thyroid gland, the fluidity of the blood, which depends on the rheological properties, will be different. Our aim was investigating rheological characteristics for studying of changes of rheology in patients with thyrotoxicosis, with benign tumor pathology of the thyroid gland, with thyroid cancer and finding possible diagnostic markers for differentiating benign and malignant thyroid tumors. In this regard, we examined, using modern methods accepted in clinical practice, a standard list of recommended diagnostic tests in the group of patients (thyrotoxicosis: n = 25; benign tumor: n = 47), thyroid cancer: n = 35) and control group (n = 15), and with new original methods, parameters that describe the rheological properties of the blood, such as blood rheological index, volume, thickness, surface area of erythrocytes, erythrocyte aggregation index, deformation index, plasma viscosity, hematocrits. Against the background of relative changes in the studied values, it is necessary to pay attention to the fact that erythrocyte aggregation in patients with a benign form and control, as well as in patients with a malignant form and control, differ significantly from each other, in addition, there is a significant difference between aggregation in the group of patients with benign and control aggregation. malignant forms of the disease. It is significant that aggregability differs in patients with thyrotoxicosis and in controls. This indicates that erythrocyte aggregation is particularly informative. The blood rheological index most clearly demonstrated the difference between benign and malignant forms of the disease. Significantly changed compared to control in various forms of thyroid diseases. Additional diagnostic markers for differentiating benign and malignant thyroid tumors may be consideredeerythrocyte aggregation index and blood rheological index.

Facile one-pot synthesis of N-pyridinylaminonaphthol derivatives and their antibacterial evaluation against multidrug-resistant Staphylococcus aureus.

The escalating severity of the menace posed by bacterial resistance has rendered the existing antibiotics less effective, thus necessitating the discovery of new antibacterial agents. The current study reports the exploration of substituted N-pyridinylaminonaphthols produced by a straightforward, one-pot multicomponent reaction process as antibacterial agents. The synthesized derivatives were assessed in vitro for their antibacterial properties against a panel of bacterial pathogens. The analogs 4b, 4g, 4h, 4i, 4j, 4l, 4r, and 4t exhibited potent inhibitory activity with minimum inhibitory concentration (MIC) values of 1-2 µg/mL. Notably, 4b, 4l, and 4t displayed an excellent selectivity index. Additionally, they were active against the multidrug-resistant bacterial strains, with 4l exhibiting the best activity against methicillin-resistant Staphylococcus aureus and vancomycin resistant staphylococcus aureus with a MIC of 1 µg/mL. 4l showed synergism with gentamycin and showed bactericidal property in a concentration-dependent manner. Furthermore, the molecule 4l inhibited the DNA gyrase supercoiling activity. Absorption, distribution, metabolism, excretion/toxicity parameters and pharmacokinetic properties were assessed via in silico techniques, which elucidate the potential mode of action. These findings demonstrate the potential of the N-pyridinylaminonaphthol derivatives as antibacterial agents against multidrug-resistant S. aureus.

Comprehensive study of Kinetic Trajectory Simulation method for multi-component magnetized plasma-wall interaction process

For a wide range of plasma applications across diverse fields, a comprehensive understanding of the plasma-wall interaction mechanism is indispensable due to its inherent connection with confined plasma. This work compilation delves into the Kinetic Trajectory Simulation (KTS) method for the interaction of multi-component magnetized plasma with wall, specifically focusing on its implications for the tungsten wall sputtering model. In the evolution of the 1d3v (one dimensional spatial coordinates and three dimensional velocity coordinates) KTS method, the coupled set of kinetic equations has been solved under specified boundary conditions which yields results of higher accuracy. At the particle injection boundary, we have assumed the velocity distribution function of particle species to be cut-off Maxwellians, meeting essential requirements for plasma-wall transition processes: quasineutrality, sheath edge singularity, continuity of macroscopic fluid variables, and the kinetic Bohm sheath condition. The kinetic Bohm sheath condition, a fundamental criterion for plasma sheath formation, is extended for multi-component plasmas, accounting for the cut-off Maxwellian distribution of negatively charged particles. A comparative study of the kinetic Bohm sheath condition for cut-off and Boltzmann distributions reveals a deviation of less than 2.0% in magnitude. The concentration ratio of positive or negative ion species and the presheath side electron temperature influence various plasma-wall transition characteristics, including wall potential, Debye sheath thickness, particle densities, potential distribution, particle fluxes towards the surface, particle drift velocity, phase-space trajectory evolution, and physical sputtering of the tungsten surface. Although lighter ions possess higher energy when striking the surface, the physical sputtering yield of the tungsten surface is greater for heavier ions due to their lower threshold energy and larger collision cross-section. Furthermore, a comparative study of plasma-wall transition properties using kinetic and fluid approaches demonstrates qualitative similarities, with a notable deviation of approximately 4.0% in the magnitude in the vicinity of the material surface.

Multicomponent and Surface Charge Effects on PFOS Sorption and Transport in Goethite-Coated Porous Media under Variable Hydrochemical Conditions.

Perfluorooctanesulfonate (PFOS), a toxic anionic perfluorinated surfactant, exhibits variable electrostatic adsorption mechanisms on charge-regulated minerals depending on solution hydrochemistry. This work explores the interplay of multicomponent interactions and surface charge effects on PFOS adsorption to goethite surfaces under flow-through conditions. We conducted a series of column experiments in saturated goethite-coated porous media subjected to dynamic hydrochemical conditions triggered by step changes in the electrolyte concentration of the injected solutions. Measurements of pH and PFOS breakthrough curves at the outlet allowed tracking the propagation of multicomponent reactive fronts. We performed process-based reactive transport simulations incorporating a mechanistic network of surface complexation reactions to quantitatively interpret the geochemical processes. The experimental and modeling outcomes reveal that the coupled spatio-temporal evolution of pH and electrolyte fronts, driven by the electrostatic properties of the mineral, exerts a key control on PFOS mobility by determining its adsorption and speciation reactions on goethite surfaces. These results illuminate the important influence of multicomponent transport processes and surface charge effects on PFOS mobility, emphasizing the need for mechanistic adsorption models in reactive transport simulations of ionizable PFAS compounds to determine their environmental fate and to perform accurate risk assessment.

Adventures in the Chemistry of Multicomponent and Domino Reactions

AbstractThe present personalized account summarizes various cyclization reactions, including multicomponent and domino processes, which are directed towards the synthesis of complex heterocyclic products. Domino Knoevenagel/hetero‐Diels‐Alder reactions provide a synthesis of annulated quinol‐2‐ones. The combination of Knoevenagel reactions with [3+2] cycloadditions of nitrogen ylides afford complex spiroheteriocyclic products. Domino Knoevenagel/enamine cyclization reactions result in the formation of condensed purine analogues. Formal [3+3] cyclizations of pyridinium salts allow for a rapid assembly of bridged heterocyclic systems and include the employment of thioxindoles and cyclohexane‐1,3‐diones as dinucleophilic building blocks. The formal [3+3] cyclization of thioxindoles with fluoroaroyl chlorides, such as 2‐fluorobenzoyl chlorides and 2‐chloropyridine‐3‐carboxylic chloride, give rise to the synthesis of condensed benzothiophenes. The cyclization of heterocyclic enamines with diimines and triazines afford various purine analogues by domino [4+2]/retro [4+2] reactions. The formal [3+3] cyclization of 2,4,6‐tris(trifluoromethyl)‐1,3,5‐triazine with 1,3‐bis(silyloxy)‐1,3‐butadienes afford, depending on the conditions, 2,6‐bis(trifluoromethy)pyrid‐4‐ones or triazaadamantanone derivatives. Heating of 2‐ethynylpyridines with electron‐rich dienes afforded 2‐(2‐methoxyphenyl)pyridines by a domino [4+2]/retro [4+2] process. The reaction of 2‐ethynylpyridines with enones afforded indolizines by a formal [3+3] cyclization. The reaction of trifluoromethyl‐substituted 1,3‐diketones with lithiated alkynes afforded 3‐hydroxy‐pent‐4‐yn‐1‐ones. Formal [5+1] cyclization of the latter with urea afforded trifluoromethyl‐substituted pyridines. The Pd catalyzed formal [3+2] cyclizations of 2,3‐dihalopyridines with imines afforded a series of regioisomeric 4‐ and 7‐azaindoles.

Nonsteroidal mineralocorticoid receptor blockers as a new tool for managing cardiorenal risks in type 2 diabetes mellitus

Today, the importance of targeted cardionephroprotection is increasingly increasing as one of the vectors of a multifactorial therapeutic strategy to reduce the risk of development and progression of complications of type 2 diabetes. Pathological hyperactivation of the renin-angiotensin-aldosterone system (RAAS) and mineralocorticoid receptors (MCRs) is considered as one of the mechanisms for the development of cadiorenal syndrome (RCS) in diabetes. Blocking this pathophysiological pathway in patients with CKD and type 2 diabetes can break the vicious circle of mutually aggravating damage to the kidneys and heart. ACE inhibitors and angiotensin receptor blockers (ARBs) are currently the standard of care in patients with CRS due to diabetes. But despite their effectiveness, the residual risk of CKD progression within 4–5 years remains high in almost half of patients with type 2 diabetes, mainly due to multicomponent processes of MCR hyperactivation. This causes a range of pathological reactions affecting the entire body and may contribute to kidney, heart and CD disease in patients with type 2 diabetes by promoting inflammation and fibrosis. Functional and structural changes in the kidneys and heart develop, which leads to the development of metabolic disorders, arterial hypertension, cardiovascular complications and progressive CKD. Pharmacological blockade of aldosterone binding to MCR appears to be an effective additional line for preventing the progression of the pathological cascade of KRS reactions in type 2 diabetes. The recently developed selective non-steroidal MCR antagonist (nsAMPR) finerenone has convincingly demonstrated improved renal and cardiovascular outcomes in patients with CKD and type 2 diabetes. This review covers in detail the role of MCRs in the development of cardiorenal syndrome in type 2 diabetes and CKD, describes the mechanisms of effectiveness of MCR blockade in preventing the progression of cardiorenal syndrome in type 2 diabetes and the difference between non-steroidal MCRs and steroids, and presents the results of RCTs confirming the cardionephroprotective potential of nsAMCRs in CKD and diabetes. type 2, and the place of finerenone as a multifactorial therapeutic strategy for type 2 diabetes in clinical practice.

Cross-dimensional multi-physics model and two-phase mass-transport enhancement for the hydrogen peroxide-based fuel cell

The direct liquid fuel cell utilizing hydrogen peroxide as an oxidant is considered to be the promising energy conversion technology, owing to its superior energy density and theoretical voltage. In the hydrogen peroxide-based fuel cells, the ever-changing two-phase mass transport and multi-component reaction processes resulting from the hydrogen peroxide self-decomposition exerts a pivotal influence on their performance. In this work, taken hydrogen peroxide self-decomposition into account, a cross-dimensional multi-physics model for the hydrogen peroxide-based fuel cell was proposed and developed to clarify the complex mechanisms of transports and reactions. In this ingeniously developed model, the multi-component reaction in the porous electrode is elucidated by a two-dimensional (2D) sub-model, the two-phase mass transport in the flow field is captured by a three-dimensional (3D) sub-model, and the one-dimensional (1D) correlation equation is served as a bridge between them. The uneven distribution of gas–liquid volume, velocity and current density and their relationships in fuel cell with serpentine flow field and dot matrix flow field were thus achieved. Furthermore, a novel gradient dot matrix flow field was developed to match the two-phase mass transport and multi-component reaction processes of hydrogen peroxide-based fuel cell. It is found that the continuously increasing pressure and velocity along flow path is balanced by the gradient-downsized ribs and the formation of large-volume oxygen bubbles is prevented by the gradient-densified ribs, achieving obviously uniformized current density distribution. Moreover, the gradient dot matrix flow field enables 54 % higher average hydrogen peroxide coverage contents (49 %) and 86 % lower average pressure drop (172 Pa) compared to the serpentine flow field, yielding 6.3 % higher peak power density (210 mW cm−2) and ultra-low extra pump power in fuel cell. This work will make contribution towards gaining profound insights into the intricate mechanisms underlying mass and charge transport, and offering invaluable guidance for the flow field design for the hydrogen peroxide-based fuel cells.

Alkoxy Diazomethylation of Alkenes by Photoredox-Catalyzed Oxidative Radical-Polar Crossover.

Herein, we present the discovery and development of the first photoredox-catalyzed alkoxy diazomethylation of alkenes with hypervalent iodine reagents and alcohols. This multicomponent process represents a new disconnection approach to diazo compounds and is featured by a broad scope, mild reaction conditions, and excellent selectivity. Key to the process was the generation of diazomethyl radicals, which engaged alkenes and alcohols in an inter- and intramolecular fashion by a photoredox-catalyzed oxidative radical-polar crossover leading to unexplored β-alkoxydiazo compounds. The synthetic utility of such diazo compounds was demonstrated with a series of transformations involving C-H, N-H, and O-H insertions as well as in the construction of complex sp3-rich heterocycles.