相关论文: Natural Deep Eutectic Solvents as Agents for Impro…

We have established the detailed phase diagram of the prototypical deep eutectic solvent ethaline (ethylene glycol / choline chloride 2:1) as a function of the hydration level, in the bulk state and confined in the nanochannels of…

Over the last couple of decades, deep eutectic solvents (DESs) have emerged as novel alternatives to ionic liquids that are extensively used in synthesis of innovative materials, metal processing, catalysis, etc. However, their usage is…

We explore some aspects of the microscopic structure of curcumin solutions with water-dimethylsulfoxide solvent of variable composition. Molecular dynamics computer simulations at isobaric-isothermal conditions are used for this purpose.…

The properties of model solutions consisting of a solute --- single curcumin molecule in water, methanol and dimethyl sulfoxide solvents have been studied using molecular dynamics (MD) computer simulations in the isobaric-isothermal…

We investigated the molecular dynamics of the prototypical deep eutectic solvent (DES) ethaline. We disentangled the different motions of its two constituents, namely choline chloride and ethylene glycol on a spatio-temporal range that…

Tungsten is a critical raw material for European and U.S. economies. Tungsten mine residues, usually considered an environmental burden due to e.g. arsenic content, are also secondary tungsten resources. The electrodialytic (ED) process and…

As the beneficial effects of curcumin have often been reported to be limited to its small concentrations, we have undertaken a study to find the aggregation properties of curcumin in water by varying the number of monomers. Our molecular…

The molecular dynamics of deep eutectic solvents (DESs) are complex, characterized by nanoscale spatial and temporal heterogeneity. Understanding these dynamics is crucial for tailoring transport properties like diffusion, viscosity and…

In this study, we investigate the microscopic diffusion dynamics of choline chloride (ChCl) based deep eutectic solvents (DESs) to elucidate the influence of hydrogen bond donor (HBD) identity on the mobility of cholinium ions. The DES…

We explore clustering of curcumin molecules in water by using the OPLS-UA model for the enol conformer of curcumin (J. Mol. Liq., 223, 707, 2016) and the SPC-E water model. With this purpose, solutions of 2, 4, 8, 12, 16 and 20 curcumin…

The regulation of intestinal blood flow is critical to gastrointestinal function. Imaging the intestinal mucosal micro-circulation in vivo has the potential to provide new insight into the gut physiology and pathophysiology. We aimed to…

Understanding and ultimately controlling the transformations and properties of nanoscale systems, from proteins to synthetic nanomaterial assemblies, is limited by the inability to uncover their dynamics on their characteristic length and…

Solution-processed light-emitting diodes (LEDs) are appealing for their potential in the low-cost fabrication of large-area devices. However, the limited performance of solution-processed blue LEDs, particularly their short operation…

Colloidal nanocrystals are unique optical gain materials due to their high intrinsic absorption, excellent quantum yield, and tunable emission. However, integration of colloidal nanocrystal solutions into photonic systems for lasing…

Deep eutectic solvents (DESs) have gained attention in recent years as attractive alternatives to traditional solvents. There is a growing number of publications dealing with the thermodynamic modeling of DESs highlighting the importance of…

In this study, molecular dynamic simulations are employed to investigate the nucleation of NaCl crystal in solutions. According to the simulations, the dissolved behaviors of NaCl in water are dependent on ion concentrations. With…

Micro- and nanogels are widely used to stabilise emulsions and simultaneously implement their responsiveness to the external stimuli. One of the factors that improves the emulsion stability is the nanogel softness. Here, we study how the…

Nanoporous membranes have gained considerable interest in drug delivery1, ion transportation2, micro/nanofluidics3, molecular sensing4, and separation science5. Artificial kidneys, also known as dialyzers, reject pathogens and other…

Water is a fundamental component of life, playing a critical role in regulating metabolic processes and facilitating the dissolution and transport of essential molecules. However, the presence of emerging contaminants, such as…

Computer simulations using atomistic model are carried out to investigate the stability of ternary systems of pure or mixed fatty alcohols, cetrimide, and water. These semi$-$solid oil-in-water systems are used as the main component of…