• Bulletin of the Korean Chemical Society
• /
• v.25 no.9
• /
• pp.1361-1365
• /
• 2004

Solvatokinetic and solvatochromic behavior of bis(indolinobenzospiropyranyl) sulfide derivatives 1a-1c have been studied in various solvents. The marked negative solvatochromism is exhibited for 1a and 1b in the whole region of solvent polarity examined. Whereas, it is found only in the polar solvent region ($E_T$ > 37) for 1c. The sensitivity order to the solvent media (slope values) is 1a > 1b > 1c. The branched linear plot with a zero slope was shown for the most sterically-hindered compound 1c in the less polar-solvent region (($E_T$ < 37). The biphasic plot is indicative of dual mechanistic process, i.e., a transition state with increased zwitter-ionic character in more polar solvents and electrocyclic process with an isopolar transition state in less polar solvents.

• Korean Journal of Clinical Laboratory Science
• /
• v.42 no.1
• /
• pp.16-21
• /
• 2010

It has been well known that organic industrial solvents such as toluene, xylene and styrene are environmental health hazards causing occupational diseases to workers. The detection of biological metabolites of toluene, xylene and styrene in blood, urine, breast milk, saliva, and hair of workers exposed to these organic industrial solvents is a useful tool for assessing the amount of organic industrial solvents. Therefor, the external analytical quality assurance program is extremely important work for increasing reliability of the data analyzed in the special health examination laboratory. We evaluated the results of analysis by Korean analytical quality assurance program from the second half 2007 to the first half 2009. The number of participants for analytical quality assurance program for both mandatory item and one of optional items, hippuric acid and methylhippuric acid were 116-122, 116-122 and 105-115 laboratories, respectively. The proficient rate of the special health examination laboratories analyzed both mandatory item and optional item, hippuric acid and methylhippuric acid were 92-98%, 92-98% and 96-98%, respectively. We can conclude from our data that the analytical quality assurance program is a essential tool for improvement of reliability on the data analyzed in the special health examination laboratories.

• KSBB Journal
• /
• v.27 no.1
• /
• pp.61-66
• /
• 2012

In the screening process of organic solvent tolerant bacteria showing good growth in media containing several kinds of organic solvents, one strain was isolated and identified as Bacillus sp. BCNU 5006. The strain was able to tolerate many organic solvents including benzene, toluene, xylene, octane, dodecane, butanol and ethylbenzene. Likewise, it could also utilize these solvents as the sole source of carbon with significant enzyme production. The lipolytic enzyme stability of Bacillus sp. BCNU 5006 was studied in the presence of several kinds of solvents at a 25% (v/v) concentration. The highest enzyme stability was observed in the presence of octane (107%), followed by ethylbenzene (88%), decane (86%), and chloroform (85%). Especially, BCNU 5006 lipase was determined to be more stable than immobilized enzyme (Novozyme 435) in the presence of octane, chloroform and xylene. This organic solvent tolerant Bacillus sp. BCNU 5006 could be expected as a potential bioremediation agent and biocatalyst for biodegradation and provide on organic-solvent-based enzymatic synthetic method in industrial chemical processes.

• Journal of the Korea Institute of Military Science and Technology
• /
• v.15 no.4
• /
• pp.475-491
• /
• 2012

Green Chemistry emerged at the end of 20th century, which aims the development of the technologies for the sustainable society at the molecular level. Most products we consume in everyday life are produced through chemical processes, and we often oversee the fact that huge amount of solvents are used and disposed. At the present time most solvents used in laboratories as well as industries are volatile organic compounds(VOC), which gives health and environmental problems. Therefore scientists are seeking new materials which have equivalent properties of VOCs as solvent, and at the same time gives no health and environmental problems. In this brief review, the author describes the present status of research and development activities of green solvent materials throughout research societies worldwide. At present the most attractive green solvent candidates are water, glycerol, supercritical carbon dioxide and ionic liquids. In order to give the pictures of these materials, the author tried to introduce the overall aspects of green solvents in various chemical reaction as well as catalytic roles.

• Journal of the Korean Magnetic Resonance Society
• /
• v.19 no.1
• /
• pp.1-10
• /
• 2015

Refinements with atomistic molecular dynamics (MD) simulation have contributed to improving the qualities of NMR structures. In most cases, the calculations with atomistic MD simulation for NMR structures employ generalized-Born implicit solvent model (GBIS) to take into accounts solvation effects. Developments in algorithms and computational capacities have ameliorated GBIS to approximate solvation effects that explicit solvents bring about. However, the quantitative comparison of NMR structures in the latest GBIS and explicit solvents is lacking. In this study, we report the direct comparison of NMR structures that atomistic MD simulation coupled with GBIS and water molecules refined. Two model proteins, GB1 and ubiquitin, were recalculated with experimental distance and torsion angle restraints, under a series of simulated annealing time steps. Whereas the root mean square deviations of the resulting structures were apparently similar, AMBER energies, the most favored regions in Ramachandran plot, and MolProbity clash scores witnessed that GBIS-refined structures had the better geometries. The outperformance by GBIS was distinct in the structure calculations with sparse experimental restraints. We show that the superiority stemmed, at least in parts, from the inclusion of all the pairs of non-bonded interactions. The shorter computational times with GBIS than those for explicit solvents makes GBIS a powerful method for improving structural qualities particularly under the conditions that experimental restraints are insufficient. We also propose a method to separate the native-like folds from non-violating diverged structures.

• Journal of Preventive Medicine and Public Health
• /
• v.26 no.2 s.42
• /
• pp.210-221
• /
• 1993

In order to evaluate the confounding factors of neurobehavioral tests and the neurobehavioral effects in the workers exposed to organic solvents, NCTB was carried out on 100 workers. 46 workers had never been exposed to neurotoxic substances, and the others were being exposed to the solvents, mainly toluene. Simple reaction time, digit symbol, Santa Ana dexterity test and persuit aiming were different with age in non exposure group. Simple reaction time was carried out well in males, and digit symbol and persuit aiming were in females. There was no difference at educational level when the subject was educated over 12 years. Santa Ana dexterity and Benton visual test differed according to exposure level to toluene, however simple reaction time didn't. The acute neurotoxic effect was not excluded in this study. But, NCTB could be used to evaluate and prevent neurobehavioral changes in workers exposed to neurotoxic solvents in Korea.

• Bulletin of the Korean Chemical Society
• /
• v.21 no.5
• /
• pp.503-509
• /
• 2000

The solvent effects on the relative free energies of solvation and the difference in partition coefficients (log P) for $Rb^+$ to $K^+$ mutation in several solvents have been investigated using Monte Carlo simulation (MCS) of statistical perturbation theory(SPT). In comparing the relative free energies for interconversion of one ion pair, $Rb^+$ to $K^+$, in $H_2O$(TIP4P) in this study with the relative free energies of the computer simulations and the experimental, we found that the figure in this study with the relative free energies of the computert simulations and the experimental, we found that the figure in this study is $-5.00\pm0.11$ kcal/mol and those of the computer simulations are $-5.40\pm1.9$, -5.5, and -5.4 kcal/mol. The experimental is -5.1 kcal/mol. There is good agreement among various studies, taking into account both methods used to obtain the hydration free energies and standard deviations. There is also good agreement between the calculated structural properties of this study and the simulations, ab initio and the experimental results. We have explained the deviation of the relationship between the free energy difference and the Onsager dielectric function of solvents by the electron pair donor properties of the solvents. For the $Rb^+$ and $K^+$ ion pair, the Onsager dielectric function of solvents (or solvent permittivity), donor number of solvent and the differences in solvation dominate the differences in the relative free energies of solvation and partition coefficients.

• Membrane and Water Treatment
• /
• v.10 no.5
• /
• pp.361-372
• /
• 2019

Effect of different alkane based solvents on the stability of emulsion liquid membrane was investigated using normal alkanes (n-hexane, n-heptane, n-octane and n-decane) under various operating parameters of surfactant concentration, emulsification time, internal phase concentration, volume ratio of internal phase to organic phase, volume ratio of emulsion phase to external phase and stirring speed. Results of stability revealed that emulsion liquid membrane containing n-octane as solvent and span-80 (5 % (w/w)) as emulsifying agent presented the highest amount of emulsion stability (the lowest breakage) compared with other solvents; however, operating parameters (surfactant concentration (5% (w/w)), emulsification time (6 min), internal phase concentration (0.05 M), volume ratio of internal phase to organic phase (1/1), volume ratio of emulsion phase to external phase (1/5) and stirring speed (300 rpm)) were also influential on improving the stability (about 0.2% breakage) and on achieving the most stable emulsion. The membrane with the highest stability was employed to extract acridine orange with various concentrations (10, 20 and 40 ppm) from water. The emulsion liquid membrane prepared with n-octane as the best solvent almost removed 99.5% of acridine orange from water. Also, the prepared liquid membrane eliminated completely (100%) other cationic dyes (methylene blue, methyl violet and crystal violet) from water demonstrating the efficacy of prepared emulsion liquid membrane in treatment of dye polluted waters.

• Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
• /
• v.18 no.4
• /
• pp.549-562
• /
• 2020

Deionized water, methanol, and ethanol were investigated for their effectiveness at dissolving LiCl-KCl-UCl3 at 25, 35, and 50℃ using inductively coupled plasma mass spectrometry (ICP-MS) to study the concentration evolution of uranium and mass ratio evolutions of lithium and potassium in these solvents. A visualization experiment of the dissolution of the ternary salt in solvents was performed at 25℃ for 2 min to gain further understanding of the reactions. Aforementioned solvents were evaluated for their performance on removing the adhered ternary salt from uranium dendrites that were electrochemically separated in a molten LiCl-KCl-UCl3 electrolyte (500℃) using scanning electron microscopy with energy dispersive spectroscopy (SEM-EDS). Findings indicate that deionized water is best suited for dissolving the ternary salt and removing adhered salt from electrodeposits. The maximum uranium concentrations detected in deionized water, methanol, and ethanol for the different temperature conditions were 8.33, 5.67, 2.79 μg·L-1 for 25℃, 10.62, 5.73, 2.50 μg·L-1 for 35℃, and 11.55, 6.75, and 4.73 μg·L-1 for 50℃. ICP-MS analysis indicates that ethanol did not take up any KCl during dissolutions investigated. SEM-EDS analysis of ethanol washed uranium dendrites confirmed that KCl was still adhered to the surface. Saturation criteria is also proposed and utilized to approximate the state of saturation of the solvents used in the dissolution trials.

• Bulletin of the Korean Chemical Society
• /
• v.9 no.6
• /
• pp.355-359
• /
• 1988

The Pfeiffer effect was examined on the systems of racemic [$Co^{II}(acac)_2$(diamine)] with d-cinchonine and l-cinchonidine as chiral environment substances in methanol, ethanol, chloroform and methanol-chloroform mixture solvents. It was found that the ${\Delta}$-enantiomer is enriched for the [$Co^{II}(acac)_2$(diamine)]-d-cinchonine system, but the Λ -enantiomer is enriched for the [$Co^{II}(acac)_2$(diamine)]-l-cinchonidine system. The complexes having no N-H protons such as [$Co^{II}(acac)_2$(bpy)] and [$Co^{II}(acac)_2$(phen)] were Pfeiffer-inactive in alcoholic solvents, where bpy = 2,2'-bipyridine and phen = 1,10-phenanthroline. This was interpreted to mean that the hydrogen bonding between N-H proton of diamine ligand and C-9 hydroxyl group of alkalid plays an important role in the chiral discrimination. And the rate of antiracemization ($k_{anti}$) by the Pfeiffer effect was also measured for the [$Co^{II}(acac)_2$(diamine)]-d-cinchonine system in alcoholic solvents. It was found that the rate of appearance of the Pfeiffer effect was enhanced as the concentration of added chloroform is increased.