The chemical equilibria concerning formic acid are computationally investigated in water over a wide range of thermodynamic conditions. The solvation free energies for relevant C1 compounds are evaluated in the method of energy representation, and are used to assess the solvent effect on the formic acid reactions. In the two competitive decomposition processes of formic acid, the solvent strong...

Treatment with solvent/detergent is a widely used method for ensuring the virus safety of plasma products. In the present study, virus inactivation by a novel solvent/detergent combination, i.e. TnBP (tri-n-butyl phosphate) and polysorbate 20 during the manufacture of the factor VIII/VWF concentrate Optivate has been investigated. The inactivation of most enveloped viruses was rapid, i.e. > 5 l...

The presented work addresses the integrated design of solvent molecules with separation and reactive-separation process systems. The proposed design philosophy relies on extensive structural optimization both at the solvent and process synthesis stage and allows the identification of solvent molecules based on process performance criteria. It employs multi-objective optimization technology in o...

A facile and efficient method for the preparation of 1,1-diacetates of aldehydes is improved. The acidified kaolin with sulfuric acid (2 % w/w) catalyzed 1,1-diacetates formation from aldehydes in solvent-free conditions. Both aromatic and aliphatic aldehydes gave high yields (85-95 %) of the corresponding 1, 1-diacetates. Advantages of this method are the use of inexpensive and selective catal...

A greener method based on cloud point extraction was developed for removing phenol species including 2,4-dichlorophenol (2,4-DCP), 2,4,6-trichlorophenol (2,4,6-TCP) and 4-nitrophenol (4-NP) in water samples by using the UV-Vis spectrophotometric method. The non-ionic surfactant DC193C was chosen as an extraction solvent due to its low water content in a surfactant rich phase and it is well-know...

One-pot four-component synthesis of polyfunctionalized 1,4-dihydropyridine derivatives was developed by a condensation of aldehydes, malononitrile, diethylacetylenedicarboxylate and aniline in the presence of choline chloride/urea as a deep eutectic solvent (DES)at room temperature.Moreover, an efficient method was reported for the synthesis of highly substituted 4H-chromenes through one-...

CdO nanoparticles efficiently catalyzes the condensation of aromatic aldehydes with 2-aminophenol at room temperature to afford 2-aryl benzoxazole derivatives by grinding method. The reactions proceed under heterogeneous and mild conditions to provide 2-aryl benzoxazoles in excellent yields (87-97 %) with high purity under solvent free condition. The reaction requires short time (5-23 minutes) ...

CdO nanoparticles efficiently catalyzes the condensation of aromatic aldehydes with 2-aminophenol at room temperature to afford 2-aryl benzoxazole derivatives by grinding method. The reactions proceed under heterogeneous and mild conditions to provide 2-aryl benzoxazoles in excellent yields (87-97 %) with high purity under solvent free condition. The reaction requires short time (5-23 minutes) ...

using the density functional theory (dft) level by means of 3-21g, 6-31g and 6-31+g (d) basissets, the structural optimization of isolated pyrazole and pyrazoline was done in the gas phase. then,the calculation about the solvent effect on the stability energies of pyrazole and pyrazoline wasperformed for the ten solvents using pcm model method at b3lyp/6-31+g(d) and then the dielectriceffects o...