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The title copper(II) complex, [Cu(C18H19N3O3)(C3H4N2)], consists of a tridentate ligand synthesized from L-leucine and azobenzene-salicylaldehyde. One imidazole molecule is additionally coordinated to the copper(II) ion in the equatorial plane. The crystal structure features N—H...O hydrogen bonds. A Hirshfeld surface analysis indicates that the most important contributions to the packing are from H...H (52.0%) and C...H/H...C (17.9%) contacts.

This paper uses deep learning to present a proof-of-concept for data-driven chemistry in single-molecule magnets (SMMs). Previous discussions within SMM research have proposed links between molecular structures (crystal structures) and single-molecule magnetic properties; however, these have only interpreted the results. Therefore, this study introduces a data-driven approach to predict the properties of SMM structures using deep learning. The deep-learning model learns the structural features of the SMM molecules by extracting the single-molecule magnetic properties from the 3D coordinates presented in this paper. The model accurately determined whether a molecule was a single-molecule magnet, with an accuracy rate of approximately 70% in predicting the SMM properties. The deep-learning model found SMMs from 20 000 metal complexes extracted from the Cambridge Structural Database. Using deep-learning models for predicting SMM properties and guiding the design of novel molecules is promising.

Azo-Schiff bases contain an azo photochrome showing isomerization accompanying with color change, and an imine moiety (which can contribute to the metal complexation capability). The syntheses of these molecules will be described, and their dyes applications will be discussed, such as for fuel cells, as photometric or colorimetric sensors. In addition, liquid crystals and their antibacterial efficiencies will also be discussed.

We prepared L-amino acids (L-valine and L-serine, respectively) based on the Schiff base Cu2+ complexes CuSV and CuSS in the absence/presence of hydroxyl groups and their imidazole-bound compounds CuSV-Imi and CuSS-Imi to reveal the effects of hydroxyl groups on SOD activity. The structural and spectroscopic features of the Cu2+ complexes were evaluated using X-ray crystallography, UV-vis spectroscopy, and EPR spectroscopy. The spectroscopic behavior upon addition of lysozyme indicated that both CuSV and CuSS were coordinated by the imidazole group of His15 in lysozyme at their equatorial position, leading to the formation of hybrid proteins with lysozyme. CuSS-Imi showed a higher SOD activity than CuSV-Imi, indicating that the hydroxyl group of CuSS-Imi played an important role in the disproportionation of O2− ion. Hybridization of the Cu2+ complexes CuSV and CuSS with lysozyme resulted in higher SOD activity than that of CuSV-Imi and CuSS-Imi. The improvements in SOD activity suggest that there are cooperative effects between Cu2+ complexes and lysozyme.

Microdroplets generated in microfluidic devices are attracting attention as a new chemical reaction field and are expected to improve reactivity. One of the effects of microscaling is that the ratio of the force that acts on the diffusion and movement of substances to gravity is different from that of ordinary solvents. Recently, we proposed a hypothesis for determining reaction acceleration through micro-miniaturization: If a reaction is inhibited by setting the volume and viscosity of the solution to conditions that are unfavorable to the reaction on a normal scale, that reaction can be promoted in microfluidics. Therefore, for the purpose of this verification, (1) we used an amino acid Schiff base copper(II) complex with an azobenzene group to demonstrate the polarization-induced orientation in a polymer film (the redirection that is mechanically maintained in a soft matter matrix). Numerical data on optical anisotropy parameters were reported. (2) When the reaction is confirmed to be promoted in laminar flow in a microfluidic device and its azo derivative, a copper(II) complex is used to increase the solvent viscosity or diffusion during synthesis on a normally large scale. We will obtain and discuss data on the investigation of changing the solvent volume as a region. The range of experimental conditions for volume and viscosity did not lead to an improvement in synthetic yield, nor did (3) the comparison of solvents and viscosity for single-crystal growth of amino acid Schiff base copper(II) complexes having azobenzene groups. A solvent whose viscosity was measured was used, but microcrystals were obtained using the diffusion method.

Microdroplet-based fluidic systems have the advantages of small size, short diffusion time, and no cross-contamination; consequently, droplets often provide a fast and precise reaction environment as well as an analytical environment for individual molecules. In order to handle diverse reactions, we developed a method to create organic single-micron droplets (S-MDs) smaller than 5 μm in diameter dispersed in silicone oil without surfactant. The S-MD generation microflow device consists of a mother droplet (MoD) generator and a tapered separation channel featuring multiple side channels. The tapered channel enhanced the shear forces to form tails from the MoDs, causing them to break up. Surface treatment with the fluoropolymer CYTOP protected PDMS fluid devices from organic fluids. The tailing separation of methanol droplets was accomplished without the use of surfactants. The generation of tiny organic droplets may offer new insights into chemical separation and help study the scaling effects of various chemical reactions.

Metal nanoframes have gained tremendous attention in the domain of modern research and development due to their distinctive 3D spatial structure, efficient physiochemical properties, and comparatively good activity. Different strategies have been implicated by the researchers to design nanoframes of varying chemical natures and shapes. Most of the synthetic protocols being adopted to design nanoframes consist of two main steps: nucleation and the growth of solid particles and, secondly, excavation of the interiors. In this context, many synthetic methods are overviewed. To show their unprecedented performance or activity, a few applications in catalysis, biomedicine, theranostics, SERS, the sensing of different materials, the reduction of CO2, etc., are also discussed.

As a recent cutting-edge research target, the prediction of crystal systems or space groups using machine learning based on databases has been actively reported [...]

Alzheimer’s disease causes the destruction of cranial nerve cells and is said to be caused by neuronal cell death due to the accumulation of amyloid-β protein. One method for the treatment of Alzheimer’s disease is to reduce the toxicity of the amyloid beta protein. Among the possibilities is to reduce toxicity by changing the secondary structure of the protein. In this study, the secondary structure of the protein was verified by binding a zinc complex to the protein and irradiating it with an infrared free-electron laser (IR-FEL). By binding Salen-Type zinc complexes to human serum albumin (HSA) and irradiating it with IR-FEL, structural changes were observed in the α-helix and β-sheet, the secondary structure of HSA. In addition to researching the possibility of binding zinc complexes to small proteins, docking simulations were examined. GOLD docking simulations showed that it is possible to bind zinc complexes to lysozyme (Lyz), a small protein. These results suggest that binding zinc complexes to amyloid-β and inducing a secondary conformational change through IR-FEL irradiation could be used for the treatment of Alzheimer’s disease by making the complexes lose their toxicity.

This review presents a comprehensive evaluation for the manufacture of organic molecules via efficient microfluidic synthesis. Microfluidic systems provide considerably higher control over the growth, nucleation, and reaction conditions compared with traditional large-scale synthetic methods. Microfluidic synthesis has become a crucial technique for the quick, affordable, and efficient manufacture of organic and organometallic compounds with complicated characteristics and functions. Therefore, a unique, straightforward flow synthetic methodology can be developed to conduct organic syntheses and improve their efficiency.

The title copper(II) complex, [Cu(C18H19N3O3)(C3H4N2)], consists of a tridentate ligand synthesized from l-leucine and azobenzene-salicylaldehyde. One imidazole molecule is additionally coordinated to the copper(II) ion in the equatorial plane. The crystal structure features N--H...O hydrogen bonds. A Hirshfeld surface analysis indicates that the most important contributions to the packing are from H...H (52.0%) and C...H/H...C (17.9%) contacts. [ABSTRACT FROM AUTHOR]