• Bulletin of the Korean Chemical Society
• /
• v.33 no.5
• /
• pp.1527-1535
• /
• 2012

Selection of the most informative molecular descriptors from the original data set is a key step for development of quantitative structure activity/property relationship models. Recently, mutual information (MI) has gained increasing attention in feature selection problems. This paper presents an effective mutual information-based feature selection approach, named mutual information maximization by replacing collinear variables (MIMRCV), for nonlinear quantitative structure-property relationship models. The proposed variable selection method was applied to three different QSPR datasets, soil degradation half-life of 47 organophosphorus pesticides, GC-MS retention times of 85 volatile organic compounds, and water-to-micellar cetyltrimethylammonium bromide partition coefficients of 62 organic compounds.The obtained results revealed that using MIMRCV as feature selection method improves the predictive quality of the developed models compared to conventional MI based variable selection algorithms.

• 한국생물공학회:학술대회논문집
• /
• 2000.04a
• /
• pp.157-160
• /
• 2000

Solubilization of bovine serum albumin(BSA) is performed using a reverse micellar system consisting of sodium bis(2-ethylhexyl) sulfosuccinate(AOT). Of particular, effects of pH, salt concentration and its type on the solubilization are investigated by means of the phase-transfer method. One of significant findings in our study is that the protein is to a large extent aggregated in the interface between organic and aqueous phases at lower pH and small salt concentration. In this presentation, the optimal extraction process conditions for BSA, which is bulky, are proposed.

• Macromolecular Research
• /
• v.15 no.1
• /
• pp.39-43
• /
• 2007

The amphiphilic block copolymer (PEtOz-PCL) of poly(2-ethyl-2-oxazoline) (PEtOz) and poly(${\varepsilon}$-caprolactone) (PCL) formed spherical micellar structures with an average diameter of 26 nm in aqueous phase. Au and Pd nanoparticles with an average diameter of $2{\sim}3nm$ were prepared by using the PEtOz-PCL micelle consisting of a PEtOz shell and PCL core. The Au nanoparticles of PEtOz-PCL micelles in aqueous phase could be transferred into organic phase by using n-dodecanethiol. The use of the Pd-NP/PEtOz-PCL micelle as a nanoreactor for Suzuki cross-coupling reaction was investigated.

• Proceedings of the Korean Society of Toxicology Conference
• /
• 2001.05a
• /
• pp.130-130
• /
• 2001

The commercially available paclitaxel product, Taxol$\circledR$ is currently formulated in a vehicle containing approximately a 1:1 v/v mixture of polyoxyethylated castor oil (Cremophor EL) and ethanol. Cremophor EL, a commonly used surfactant for lipophilic compounds, has been associated with many issues, such as adverse effects particularly following rapid administration, stability with the possibility for drug precipitation upon dilution, and filtering requirements.(omitted)

• Journal of the Korean Applied Science and Technology
• /
• v.21 no.3
• /
• pp.238-245
• /
• 2004

The interaction between anion and zwitterionic surfactants was investigated by means of surface tension, NMR spectroscopy, and fluorescence studies. These systems are N-tetradecyloxymethyl-N,N-dimethyl betaine ($C_{14}$, TDB), N-octadecyloxymethyl-N,Ndimethyl betaine ($C_{18}$, ODB), and sodium dodecylethoxy sulfate (SDE). These systems show a composition dependency in micellar properties. When the molar fraction of TDB and ODB was about 0.6, the cmc values of these systems showed minima, whereas the solubilized amount of a water insoluble dye, NMR line width showed maxima. These changes comes from the intramolecular complexes formed in the mixed micelles. The complexes are due to the electrostatic interaction of oppositely charged head groups of betaine and sodium dodecylethoxy sulfate. A comparison of betaine and SDE alkyl methylene group line widths to those of n-methyl group indicates that the interior of the micelle in the restricted region is more immobile than the head group.

• Journal of the Korean Applied Science and Technology
• /
• v.10 no.1
• /
• pp.83-91
• /
• 1993

The syntheses of urocanic acid esters was optimized, starting from p-toluenesulfonic acid salt of this acid and long chain fatty alcohols in the organic solvent and extracting water from it by means of azeotropic Compound. The salts of these urocanic acid esters showed amphoteric properties, but their micellization enhances their rate of hydrolysis leading to the free amine. Nevertheless the long chain gives to the esters themselves an amphoteric character allowing their solubilization in micellar media and in microemulsions the result, yield could enhanced.

• Proceedings of the Korean Society of Soil and Groundwater Environment Conference
• /
• 1998.11a
• /
• pp.64-68
• /
• 1998

본 연구는 오염토양/지하수의 정화를 위하여 사용되는 계면활성제 교정기술의 보다 현실적인 평가를 위하여 토양에 흡착된 계면활성제에 대한 소수성 유기오염물인 Naphthalene과 Phenanthrene의 흡수현상에 대한 연구결과를 나타내었다. 음이온 계면활성제인 Sodium Dodecyl Sulfate (SDS)와 중성 계면활성제인 Tween 80의 흡착곡선은 소수성 꼬리 (hydrophobic tails)간의 상호작용에 의하여 S-형 모양을 보이며 이들 흡착된 계면활성제는 Micelle로 존재하는 계면활성제에 비하여 유기오염물에 대한 보다 강한 흡수능력을 나타내었다. 결과에 나타난 흡수능력의 차이는 계면활성제가 흡착되어있거나 Micelle상태로 존재할 경우 다른 구조를 형성하기 때문이라 사료된다. 흡수된 계면활성제와 Micelle의 상호경쟁에 의하여 유기오염물의 부동성(immobility)을 나타내는 분배계수(distribution coefficient)는 계면활성제의 농도에 반비례하였다. 결론적으로 토양/지하수의 오염물 정화를 위하여 계면활성제 교정기술의 적용 시 고정상 (solid phase)에 있는 흡착 계면활성제에 의한 유기오염물의 지체현상 (retardation)을 고려하여야 한다.

• Proceedings of the Polymer Society of Korea Conference
• /
• 2006.10a
• /
• pp.287-287
• /
• 2006

Amphiphilic random copolymers can form various types of micelles in aqueous media depending on the balance between two opposite interactions- electrostatic repulsion and hydrophobic attraction. This balance can change by addition of some organic solvent to the aqueous solution, and as a result, we can control the micellar structure and micellization equilibrium by changing the solvent content. In the present study, we have investigated the micellization equilibrium of an amphiphilic statistical copolymer consisting of sodium 2-(acrylamido)-2- methylpropanesulfonate and hexyl methacrylate in mixtures of water and methanol by sedimentation equilibrium and fluorescence.

• Proceedings of the Polymer Society of Korea Conference
• /
• 2006.10a
• /
• pp.295-295
• /
• 2006

In present study, poly(acrylic acid) (PAA) and hydrophobically modified poly(ethylene oxide) (HM-PEO) multilayers based on the hydrogen bonding between the component polymer pair have been prepared by the LbL deposition method. Dip assembled HM-PEO/PAA multilayers yield unique film morphologies in comparison with PEO/PAA multilayers due to the micellar formation of HM-PEO owing to the hydrophobic attraction between alkyl chains end-capped with the PEO chains. Individual HM-PEO micelles were connected through the bridging PEO chains to form temporary networks on multilayer surface and induced peculiar surface morphology on HM-PEO/PAA multilayers above the critical number of bilayers.

• Proceedings of the Polymer Society of Korea Conference
• /
• 2006.10a
• /
• pp.85-85
• /
• 2006

The micellization behavior and the metal-nanoparticle formation in PDEAEMA-b-PHEGMA double hydrophilic block copolymers are investigated. The hydrophobic PDEAEMA block is pH-sensitive: at low pH it can be protonated and it becomes hydrophilic, leading to molecular solubility, whereas at higher pH micelles are formed; the behavior is studied by DLS, NMR and AFM. In these micellar nanoreactors, metal nanorystals nucleate and grow upon reduction with sizes in the range of a few nm's as observed by TEM and XRD. Similarly, metal nanocrystals can be formed within pH-sensitive microgels (${\sim}250nm$ in diameter), synthesized by emulsion copolymerization of DEAEMA, which also exhibit reversible swelling properties in water by adjusting the pH.