Efficient Separation of Methanol Single-Micron Droplets by Tailing Phenomenon Using a PDMS Microfluidic Device.

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.

Crystal structure and Hirshfeld surface analysis of (1-imidazole-κ)[4-methyl-2-({[2-oxido-5-(2-phenyl-diazen-1-yl)phen-yl]methyl-idene}amino)penta-noate-κ,,']copper(II).

The title copper(II) complex, [Cu(CHNO)(CHN)], consists of a tridentate ligand synthesized from l-leucine and azo-benzene-salicyl-aldehyde. One imidazole mol-ecule is additionally coordinated to the copper(II) ion in the equatorial plane. The crystal structure features N-H⋯O hydrogen bonds.

Improvement of the SOD activity of the Cu complexes by hybridization with lysozyme and its hydrogen bond effect on the activity enhancement.

We prepared -amino acids (-valine and -serine, respectively) based on the Schiff base Cu 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 Cu 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.

The prediction of single-molecule magnet properties via deep learning.

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.

Towards Industrially Important Applications of Enhanced Organic Reactions by Microfluidic Systems.

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.

Recent Advances in Chiral Schiff Base Compounds in 2023.

Schiff bases (imine or azomethine -N=CH-), which were first obtained by a German chemist, H [...

Crystal structure and Hirshfeld surface analysis of (1-imidazole-κ)[-(2-oxido-benzyl-idene)tyrosinato-κ,,']copper(II).

The title copper(II) complex, [Cu(CHNO)(CHN)], consists of a tridentate ligand synthesized from l-tyrosine and salicyl-aldehyde. One imidazole mol-ecule is additionally coordinating to the copper(II) ion. The crystal structure features N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds.

From Basics of Coordination Chemistry to Understanding Cisplatin-analogue Pt Drugs.

Background: Cisplatin, a platinum complex discovered by Rosenberg in 1969, has long been known as the first metal-based anticancer agent. Since then, various similar derivatives of cisplatin have been investigated for pharmacological activity, and the approved complexes have been applied as drugs.

Objectives: The aims of the current study are: 1) to summarize the advantages and dose-limiting effects of the approved and unapproved chemotherapy platinum cytostatics, 2) to develop new strategies for the development of platinum anticancer drugs, and 3) to clarify the important factors for the mechanism of action of platinum complexes.

Efficient Synthesis of a Schiff Base Copper(II) Complex Using a Microfluidic Device.

The efficient synthesis of amino acid Schiff base copper(II) complexes using a microfluidic device was successfully achieved. Schiff bases and their complexes are remarkable compounds due to their high biological activity and catalytic function. Conventionally, products are synthesized under reaction conditions of 40 °C for 4 h using a beaker-based method.

Mathematical Geometry and Groups for Low-Symmetry Metal Complex Systems.

Since chemistry, materials science, and crystallography deal with three-dimensional structures, they use mathematics such as geometry and symmetry. In recent years, the application of topology and mathematics to material design has yielded remarkable results. It can also be seen that differential geometry has been applied to various fields of chemistry for a relatively long time.

A novel hybrid protein composed of superoxide-dismutase-active Cu(II) complex and lysozyme.

A novel hybrid protein composed of a superoxide dismutase-active Cu(II) complex (CuST) and lysozyme (CuST@lysozyme) was prepared. The results of the spectroscopic and electrochemical analyses confirmed that CuST binds to lysozyme. We determined the crystal structure of CuST@lysozyme at 0.

Crystal structure and Hirshfeld surface analysis of mono/bis-(aqua-κ)[-(2-oxido-benzyl-idene)valinato-κ ,,']copper(II): dimeric Schiff base copper(II) complexes having different numbers of coordinated water mol-ecules.

The mol-ecular structure of the title compound, [Cu(CHNO)(HO)]·[Cu(CHNO)(HO)], consists of two different mol-ecules in the asymmetric unit. Both of the structures consist of a tridentate ligand synthesized from l-valine and salicyl-aldehyde, and one water mol-ecule or two water mol-ecules coordinating to Cu. They have a square-planar (mol-ecule 1) or a square-pyramidal (mol-ecule 2) coordination geometry.

Lanthanide Complexes in Recent .

The MDPI journal publishes excellent papers on molecules in every issue, but I found that there are surprisingly only a few papers (3) and reviews (1) on rare-earth elements (lanthanide) in the category of inorganic chemistry these days [...

Photofunctions in Hybrid Systems of Schiff Base Metal Complexes and Metal or Semiconductor (Nano)Materials.

Composite materials very often provide new catalytic, optical or other physicochemical properties not observed for each component separately. Photofunctions in hybrid systems are an interesting topic of great importance for industry. This review presents the recent advances, trends and possible applications of photofunctions of hybrid systems composed of Schiff base metal complexes and metal or semiconductor (nano)materials.

The Effect of AlI Nanoadditive on the Thermal Behavior of PMMA Subjected to Thermoanalytical Py-GC-MS Technique.

Thermal degradation of polymethylmethacrylate (PMMA) was studied by using inorganic salt of aluminum triiodide (AlI). The composites of PMMA were prepared with AlI by changing the concentration of the AlI additive from 2% to 10% (/). The PMMA composites with AlI were characterized by TGA, DTG, SEM, FTIR, HBT, and Py-GC-MS techniques.

Crystal structure and Hirshfeld surface analysis of ((,)-2,2'-{[(1,2-di-phenyl-ethane-1,2-di-yl)bis-[(aza-n-ium-ylyl-idene)methanylyl-idene]}bis-(6-meth-oxy-phenolato))trinitratosamarium(III).

In the title complex, [Sm(NO)(CHNO)], the Sm atom is surrounded by ten O atoms. The (,)-2,2'-{[(1,2-di-phenyl-ethane-1,2-di-yl)bis-[(aza-niumylyl-idene)methanylyl-idene]}bis-(6-meth-oxy-phenolate) ligand, obtained from -vanillin and (1,2)-(-)-1,2-di-phenyl-ethyl-enedi-amine, exhibits a slightly distorted planar arrangement of the four coordinated O atoms. In the crystal, the complex shows intra-molecular N-H⋯O hydrogen bonds and weak inter-molecular C-H⋯O hydrogen bonds.

Chiral crystallization of a zinc(II) complex.

The compound, {6,6'-dimeth-oxy-2,2'-[(4-azaheptane-1,7-di-yl)bis-(nitrilo-meth-an-yl-idyne)]diphenolato}zinc(II) methanol monosolvate, [Zn(CHNO)]·CHOH, at 298 K crystallizes in the ortho-rhom-bic space group P2. The Zn atom is coordinated by a penta-dentate Schiff base ligand in a distorted trigonal-bipyramidal NO geometry. The equatorial plane is formed by the two phenolic O and one amine N atom.

Crystallographic and Computational Electron Density of d Orbitals of Azo-Schiff Base Metal Complexes Using Conventional Programs.

The crystal structures of two azobenzene derivative Schiff base metal complexes (new CHCuNO of -1 and known CHMnNO of 2/c abbreviated as Cu and Mn, respectively) were (re-)determined experimentally using conventional X-ray analysis to obtain electron density using a PLATON program. Cu affords a four-coordinated square planar geometry, while Mn affords a hexa-coordinated distorted octahedral geometry whose apical sites are occupied by an acetate ion and water ligands, which are associated with hydrogen bonds. The π-π or CH-π and hydrogen bonding intermolecular interactions were found in both crystals, which were also analyzed using a Hirshfeld surface analysis program.

Success or Failure of Chiral Crystallization of Similar Heterocyclic Compounds.

Single crystals of two achiral and planar heterocyclic compounds, CHHO() and CHNO (), recrystallized from ethanol, were characterized by single crystal X-ray analysis, respectively, and chiral crystallization was observed only for as 222 (# 19), whereas it was not observed for 2/c (# 14). In , as a monohydrate, the hydrogen bonds were pronounced around the water of crystallization (O4), and the planar cyclic sites were arranged in parallel to slightly tilted positions. On the other hand, an anhydride formed a dimer by hydrogen bonds between adjacent molecules in the crystal, which were aggregated by van der Waals forces and placed in parallel planar cyclic sites.

Development of Microdroplet Generation Method for Organic Solvents Used in Chemical Synthesis.

Recently, chemical operations with microfluidic devices, especially droplet-based operations, have attracted considerable attention because they can provide an isolated small-volume reaction field. However, analysis of these operations has been limited mostly to aqueous-phase reactions in water droplets due to device material restrictions. In this study, we have successfully demonstrated droplet formation of five common organic solvents frequently used in chemical synthesis by using a simple silicon/glass-based microfluidic device.

Microdroplet synthesis of azo compounds with simple microfluidics-based pH control.

Conventional solution-phase synthesis of azo compounds is complicated by the need for precise pH and temperature control, high concentrations of pH control reagents, and by-product removal. In this work, we exploited the advantages of microdroplet chemistry to realize the simple and highly efficient synthesis of an azo compound using microfluidics-based pH control. Owing to the small size of microdroplets, heat exchange between a microdroplet and its environment is extremely fast.

Crystal structure and Hirshfeld surface analysis of (aqua-κ)(methanol-κ)[-(2-oxido-benzyl-idene)threoninato-κ ,,']copper(II).

In the title complex mol-ecule, [Cu(CHNO)(CHO)(HO)], the Cu atom is coordinated in a distorted square-pyramidal geometry by a tridentate ligand synthesized from l-threonine and salicyl-aldehyde, one methanol mol-ecule and one water mol-ecule. In the crystal, the mol-ecules show intra- and inter-molecular O-H⋯O hydrogen bonds. The Hirshfeld surface analysis indicates that the most important contributions to the packing are H⋯H (49.

Degradation of Human Serum Albumin by Infrared Free Electron Laser Enhanced by Inclusion of a Salen-Type Schiff Base Zn (II) Complex.

A salen-type Schiff base Zn(II) complex included in human serum albumin (HSA) protein was examined by UV-Vis, circular dichroism (CD), and fluorescence (PL) spectra. The formation of the composite material was also estimated by a GOLD program of ligand-protein docking simulation. A composite cast film of HSA and Zn(II) complex was prepared, and the effects of the docking of the metal complex on the degradation of protein molecules by mid-infrared free electron laser (IR-FEL) were investigated.

Investigation by DFT Methods of the Damage of Human Serum Albumin Including Amino Acid Derivative Schiff Base Zn(II) Complexes by IR-FEL Irradiation.

An infrared free electron laser (IR-FEL) can decompose aggregated proteins by excitation of vibrational bands. In this study, we prepared hybrid materials of protein (human serum albumin; HSA) including several new Schiff base Zn(II) complexes incorporating amino acid (alanine and valine) or dipeptide (gly-gly) derivative moieties, which were synthesized and characterized with UV-vis, circular dichroism (CD), and IR spectra. Density functional theory (DFT) and time dependent DFT (TD-DFT) calculations were also performed to investigate vibrational modes of the Zn(II) complexes.

Synthesis and structural study of tris-(2,6-di-amino-pyridinium) bis-(oxalato)dioxidovanadate(V) 2.5-hydrate.

Crystals of the title compound, (CHN)[VO(CO)]·2.5HO, a mononuclear V complex, were obtained by slow evaporation at room temperature of an aqueous solution containing vanadium pentoxide, oxalic acid and 2,6-di-amino-pyridine. The asymmetric unit contains one bis-(oxalato)dioxovanadate(V) anionic complex, three 2,6-di-amino-pyridinium cations and two and a half uncoordinated water mol-ecules.