Adsorption of O2 molecule on the transition metals (TM(II) = Sc2+, Ti2+, V2+, Cr2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+ and Zn2+) porphyrins induced carbon nanocone (TM(II)PCNC).

In this work, the adsorption of the O2 molecule on the transition metals (TM(II) = Sc2+, Ti2+, V2+, Cr2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+ and Zn2+) porphyrins induced carbon nanocone (TM(II)-PCNC) were investigated using density functional theory (DFT) in terms of stabilities, energetic, structural, and electronic properties. It has been found that the O2 molecule is adsorbed on the TM(II)-PCNC with adsorption energies in the range of 0.29 to -98.32 kcal/mol. The interaction between the O2 gas and the Sc-PCNC molecule from the outer site is the strongest. The interaction of the O2 gas over the Ni-PCNC molecule from both outer and inner sites is the weakest. It can be concluded that the suitable interaction energy (Eg) for sensing ability attributed to the Zn-PCNC because an effective and physical interaction between Zn-PCNC and the O2 gas leads to short recovery time. DFT calculations also clarified that the high %ΔEg of Zn-PCNC and hence the high sensitivity to the O2 gas confirm that the Zn-PCNC molecule is a promising candidate for having a good sensing ability to the O2 gas.

Extraction of some essential amino acids using aqueous two-phase systems made by sugar-based deep eutectic solvents.

Aqueous two-phase systems (ATPSs) have long been recognized as versatile and efficient tools for the extraction of biomolecules, including amino acids. Recent advancements in the field have introduced a novel approach by utilizing deep eutectic solvents (DES) to form ATPs. This study aimed to determine the phase diagrams for an ATPS made of polyethylene glycol dimethyl ether 250 and two types of NADESs, namely choline chloride as a hydrogen bond acceptor (HBA), and either sucrose or fructose as a hydrogen bond donor (HBD) with a molar ratio of 1 : 2. The measured tie-line results revealed that the hydrogen bonds of NADES may not be entirely disrupted in aqueous solutions, and thus, these ATPSs act as ternary-like systems. Additionally, the binodal data were fitted using two semi-empirical equations, namely Merchuk and Zafarani-Moattar et al. equations. Furthermore, the ATPSs mentioned above were applied to extract three amino acids, namely l-arginine, l-phenylalanine, and l-tyrosine, and demonstrated good extraction levels. Finally, the Diamond-Hsu equation and its modified version were utilized to correlate the experimental partition coefficients of the amino acids. These advancements pave the way for the development of improved extraction methodologies and the exploration of new applications in the field of biotechnology, pharmaceuticals, and beyond.

Recent progress in application of nanocatalysts for carbonylative Suzuki cross-coupling reactions.

In the past few decades, cross-coupling of aryl halides and arylboronic acids in the presence of carbon monoxide (CO), also called carbonylative Suzuki coupling, to form two new carbon-carbon bonds in the production of synthetically and biologically important biaryl ketones, has been widely studied. Consequently, various catalytic systems have been extensively investigated in order to maximize the efficiency of this appealing area of biaryl ketone synthesis. As evidenced in the literature, nanometal-based systems are among the most powerful catalysts for this transformation as their large surface area to volume ratio and reactive morphologies allow faster reaction rates under milder CO pressure even at very low catalyst loadings. This review aims to provide an overview of the recent advances and achievements in the application of nano-sized metal catalysts for carbonylative Suzuki cross-coupling reactions, which may serve as an inspiration to researchers in their future work.