Experimental study and numerical modeling of mixing by air injection in yield stress fluids using the OpenFOAM software

Mixing by gas injection is an operation used in industrial processes such as wastewater treatment, metallurgy, or methanization in which pressurized gas is injected into a fluid in order to reduce concentrations and temperatures gradients. This study demonstrates how the CFD toolbox OpenFOAM can be used to simulate such flows. Experimental measurements and observations have been performed on a pilot-scale reactor where pressurized air is injected in a yield stress fluid. The volume of fluid method and an adaptive mesh with refinement at the interface have been used to track the gas inclusions. The numerical model accuracy has been assessed by comparing experimental and numerical results related to the bubble's frequency, dimensions, and rising velocities as well as the fluid recirculation, yielded, and unyielded regions in the tank. The influence of injection parameters such as the injection flow rate and the fluid rheological parameters has been quantified.     

Sulfonylguanidine Derivatives as Potential Antimelanoma Agents

Sulfonylguanidines are interesting bioactive compounds with a broad range of applications in the treatment of different pathologies. 2-Aminobenzazole-based structures are well employed in the development of new anticancer drugs. Two series of novel N-benzazol-2-yl-N′-sulfonyl guanidine derivatives were synthesized with the sulfonylguanidine in either an extra- or intracyclic frame. They were evaluated for their antiproliferative activity against malignant melanoma tumor cells, thus allowing structure-activity relationships to be defined. Additionally, NCI-60 screening was performed for the best analogue to study its efficiency against a panel of other cancer cell lines. The stability profile of this promising compound was then validated. During the synthetic process, an unexpected new deamidination of the sulfonylguanidine towards sulfonamide function was also identified.     

On chemical and diffusional interactions between PCBN and superalloy Inconel 718: Imitational experiments

During a metal cutting process, chemical wear can become the dominant mechanism of tool degradation under the high temperatures and contact pressures that arise between the tool and the metal workpiece. This study focuses on the chemical and diffusional interactions between superalloy Inconel 718 and cubic boron nitride (cBN) tool material with and without TiC binder. It covers thermodynamic modeling and experimental tests in the pressure range of 0.1 Pa to 2.5 GPa at temperatures up to 1600 °C. The methods used include diffusion couples under both vacuum and high pressure, transmission electron microscopy (TEM) analysis and in-situ synchrotron observations. It is shown that cBN is prone to diffusional dissolution in the metal and to reactions with niobium, molybdenum, and chromium from Inconel 718. Adding TiC binder changes the overall degradation process because it is less susceptible to these interaction mechanisms.     

Quaternäre Metall/Metalloxid‐Katalysatoren als Wandkatalysatoren in Mikroreaktoren für Power‐to‐Gas‐Applikationen mittels kombinatorischer Hochdurchsatzmethoden

Catalysts of quaternary composition have been prepared and tested for the Sabatier process. For catalyst syntheses the following techniques have been used: sol‐gel methods, wet impregnation and incipient wetness impregnation. The Sabatier reaction was carried out at temperatures between 520 K and 670 K, pressures of 15 bar and 30 bar using a mixture H₂:CO₂ of 4:1. Activity screening of the microscale wall catalysts was performed by a custom‐built 10‐fold parallel gas‐flow microreactor setup in sequential operating mode. To analyze the gas phase compositions GC‐FID was used.     

Synthesis of Long-Chain β-Lactones and Their Antibacterial Activities against Pathogenic Mycobacteria

In the quest for new antibacterial agents, a series of novel long- and medium-chain mono- and disubstituted β-lactones was developed. Their activity against three pathogenic mycobacteria—M. abscessus, M. marinum, and M. tuberculosis—was assessed by the resazurin microtiter assay (REMA). Among the 16 β-lactones synthesized, only 3-hexadecyloxetan-2-one (VM005) exhibited promising activity against M. abscessus, whereas most of the β-lactones showed interesting activities against M. marinum, similar to that of the classical antibiotic, isoniazid. Regarding M. tuberculosis, six compounds were found to be active against this mycobacterium, with β-lactone VM008 [trans-(Z)-3-(hexadec-7-en-1-yl)-4-propyloxetan-2-one] being the best growth inhibitor. The promising antibacterial activities of the best compounds in this series suggest that these molecules may serve as leads for the development of much more efficient antimycobacterial agents.     

Combination of freeze drying and molecular inclusion techniques improves the bioaccessibility of microencapsulated anthocyanins from black rice (Oryza sativa L.) and lavender (Lavandula angustifolia L.) essential oils in a model food system

Black rice and lavender are promising sources of bioactives, in terms of anthocyanins and essential oils. Their bioaccessibility were improved by microencapsulation, followed by mixing in order to benefit both from colour and flavour, along with radical scavenging and biological properties. The mixed powder showed a satisfactory anthocyanins of 2.55 mg g⁻¹ DW, leading to a radical scavenging activity of 65.14 mmol g⁻¹ DW. The powder displayed an inhibitory effect against α-glucosidase (~49%) and α-amylase (39%), respectively, with a controlled release in intestinal environment. To further examine the functional properties, the powder was added to a food model system. During storage, a release in anthocyanins and flavonoids were found, leading to an increase in radical scavenging activity. The sensorial analysis showed that supplemented biscuits were appreciated for colour and lavender aroma. The obtained results were promising in tailoring the health benefits of secondary metabolites, underutilised in human’s nutrition due to their low stability and bioavailability.     

Biosynthetic Plasticity Enables Production of Fluorinated Aurachins

Enzyme promiscuity has important implications in the field of biocatalysis. In some cases, structural analogues of simple metabolic building blocks can be processed through entire pathways to give natural product derivatives that are not readily accessible by chemical means. In this study, we explored the plasticity of the aurachin biosynthesis pathway with regard to using fluoro- and chloroanthranilic acids, which are not abundant in the bacterial producers of these quinolone antibiotics. The incorporation rates of the tested precursor molecules disclosed a regiopreference for halogen substitution as well as steric limitations of enzymatic substrate tolerance. Three previously undescribed fluorinated aurachin derivatives were produced in preparative amounts by fermentation and structurally characterized. Furthermore, their antibacterial activities were evaluated in comparison to their natural congener aurachin D.     

Metallocenyl 7-ACA Conjugates: Antibacterial Activity Studies and Atomic-Resolution X-ray Crystal Structure with CTX-M β-Lactamase

The conjugation of organometallic groups to current β-lactam antibiotics is a field of increasing study due to the ability of certain organometallic groups to enhance the antibiotic potency of these drugs. Herein, we report the antibacterial properties of two metallocenyl (ferrocenyl and ruthenocenyl) 7-aminocephalosporanic acid (7-ACA) antibiotic conjugates. Continuing a trend we found in our previous studies, the ruthenocenyl conjugate showed greater antibacterial activity than its ferrocenyl counterpart. Compared with the previously published 7-aminodesacetoxycephalosporanic acid (7-ADCA) conjugates, the 3-acetyloxymethyl group significantly improved the compounds’ activity. Furthermore, the Rc-7-ACA compound was more active against clinical Staphylococcus aureus isolates than the ampicillin reference. Noticeably, neither of the two new compounds showed an undesirable toxic effect in HeLa and L929 cells at the concentrations at which they displayed strong antibacterial effects. The antibacterial activity of the two metallocenyl 7-ACA derivatives was further confirmed by scanning electron microscopy (SEM). SEM micrographs showed that bacteria treated with metallocenyl 7-ACA derivatives feature cell wall damage and morphology changes. Using a CTX-M-14 β-lactamase competition assay based on nitrocefin hydrolysis, we showed that the Rc-7-ACA bound more favorably to CTX-M-14 than its ferrocenyl counterpart, again confirming the superiority of the ruthenocenyl moiety over the ferrocenyl one in interacting with proteins. We also report a 1.47 Å resolution crystal structure of Rc-7-ACA in complex with the CTX-M-14 E166A mutant, an enzyme sharing a similar active site configuration with penicillin-binding proteins, the molecular target of β-lactam antibiotics. These results strengthen the case for the antibacterial utility of the Rc and Fc groups.