• Title, Summary, Keyword: solvent

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Solvent Effects on the Solvatochromism of 7-Aminocoumarin Derivatives in Neat and Binary Solvent Mixtures: Correlation of the Electronic Transition Energies with the Solvent Polarity Parameters

  • Choi, Jin-Yeong;Park, Eun-Ju;Chang, Seung-Hyun;Kang, Tai-Jong
    • Bulletin of the Korean Chemical Society
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    • v.30 no.7
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    • pp.1452-1458
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    • 2009
  • The change in the electronic absorption and emission energy of 7-aminocoumarin derivatives in binary solvent mixtures has been studied. The electronic transition energy along with the Stokes' shift is correlated with the orientation polarizability of the solvent as well as the empirical solvent polarity parameters $E_T$ (30). It is observed that the emission peak shift traces the change of $E_T$ (30) value very closely in binary solvent mixtures. The emission transition more strongly depends on the solvent polarity than the absorption, which indicates the dipole moment gets larger on excitation. From the dependence of the Stokes’ shift of 7-aminocoumarins with the solvent polarity parameters and the ground state dipole moment obtained by the semi-empirical calculations, the excited state dipole moment was estimated. The fluorescence lifetime change of 7-aminocoumarins in binary solvent mixtures was measured and the results are explained in terms of molecular conformation and solvent polarity. The study indicates the empirical solvent polarity $E_T$ (30) is a good measure of microscopic solvent polarity and it probes in general the non-specific solvent interactions.

Molecular Dynamics Simulations of Small n-Alkane Clusters in a Mesoscopic Solvent

  • Ko, Seo-Young;Lee, Song-Hi
    • Bulletin of the Korean Chemical Society
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    • v.24 no.6
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    • pp.771-776
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    • 2003
  • The structural and dynamic properties of small n-alkane clusters embedded in a mesoscopic solvent are investigated. The solvent interactions are taken into account through a multi-particle collision operator that conserves mass, momentum and energy and the solvent dynamics is updated at discrete time intervals. The cluster molecules interact among themselves and with the solvent molecules through intermolecular forces. The properties of n-heptane and n-decane clusters interacting with the mesoscopic solvent molecules through repulsive Lennard-Jones interactions are studied as a function of the number of the mesoscopic solvent molecules. Modifications of both the cluster and solvent structure as a result of cluster-solvent interactions are considered. The cluster-solvent interactions also affect the dynamics of the small n-alkane clusters.

Application of a New Method to Reproduce the Enthalpies of Transfer of NaI from Water to Aqueous Methanol, Ethanol and iPrOH Solvent Systems at 298 K

  • Rezaej Behbehani, G.
    • Bulletin of the Korean Chemical Society
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    • v.26 no.2
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    • pp.238-240
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    • 2005
  • The enthalpies of transfer, ${\Delta}H_t{\Theta}$, of NaI from water to aqueous methanol, ethanol and isopropanol, iPrOH, systems are reported. These data have been analysed in terms of the new solvation theory. These data are considered in terms of the new developed solvation theory including variable ($\alpha$n + $\beta$N), the net effect of the solute on the solvent-solvent bonding, is positive if there is a net breaking or weakening of solvent-solvent bonds. The solvation parameters recovered from the analyses indicate that the net affect of NaI on solvent structure is a breaking of solvent-solvent bonds and that NaI is preferentially solvated by water in all aqueous alcohol systems considered. ($\alpha$n + $\beta$N) values increase with increasing in the size of the alcohol alkyl residue from methanol to iPrOH.

Enhancement of Dissolution Rates of Indomethacin Solvent Deposited on Excipients by Solvent Deposition Method (Indomethacin제제(製劑)의 용출속도증가(溶出速度增加)를 위한 Solvent Deposition Method의 이용(利用))

  • Ku, Young-Soon;Huh, Jin-Wook
    • Journal of Pharmaceutical Investigation
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    • v.12 no.3
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    • pp.74-87
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    • 1982
  • To evaluate the pharmaceutical aspects of solvent deposition method where drug is solvent deposited on the surface of excipients, a study has been made on dissolution characteristics of indomethacin solvent deposited on lactose and potato starch. In a solvent deposition system, the drug-to-excipient ratio and kind of excipient effect much on dissolution rates of indomethacin. The experimental results are as follows: 1) Lactose was shown to be superior to potato starch as excipients in indomethacin solvent deposited. 2) Total amount of indomethacin dissolved from solvent deposition systems at 30 minutes were enhanced about 5 to 23 times compared with that of pure indomethacin. 3) Increased dissotion amount of indomethacin from the solvent deposition systems were observed to be alike in the systems where the drug-to-excipient weight ratios were 1 : 5, 1 : 7 and 1 : 10.

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Effects of Solvent Size on Microscopic Structures and Properties in Polymer Solutions

  • Li, Yunqi;Shi, Tongfei;An, Lijia
    • Proceedings of the Polymer Society of Korea Conference
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    • pp.116-117
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    • 2006
  • Increasing the solvent molecular size leads to shrinkage of the polymer chains and increase of the critical overlap concentrations. In addition, the dependency of $R_{g}$ on polymer concentration under normal solvent conditions and solvent molecular size is in good agreement with scaling laws. When the solvent molecular size approaches the ideal end-to-end distance of the polymer chain, an extra aggregation of polymer chains occurs, and the solvent becomes the so-called medium-sized solvent. When the size of solvent molecules is smaller than the medium size, the polymer chains are swollen or partially swollen. However, when the size of solvent molecules is larger than the medium size, the polymer coils shrink and segregate, enwrapped by the large solvent molecules.

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Further Kinetic Studies of Solvolytic Reactions of Isobutyl Chloroformate in Solvents of High Ionizing Power Under Conductometric Conditions

  • Lim, Gui Taek;Lee, Yeong Ho;Ryu, Zoon Ha
    • Bulletin of the Korean Chemical Society
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    • v.34 no.2
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    • pp.615-621
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    • 2013
  • Solvolyses of isobutyl chloroformate (4) in 43 binary solvent mixtures including highly aqueous media, water, $D_2O$, $CH_3OD$, 2,2,2-trifluoroethanol (TFE) as well as aqueous 1,1,1,3,3,3-hexafluoro-isopropanol (HFIP) solvents were performed at $45^{\circ}C$, in order to further investigate the recent results of D'Souza, M. $J^1$. et al.; solvolyses of 4 are found to be consistent with the proposed mechanism ($Ad_E$). The variety of solvent systems was extended to comprise highly ionizing power solvent media ($Y_{Cl}$ > 2.7 excepted for aqueous fluorinated solvents and pure TFE solvent) to investigate whether a mechanistic change occurs as solvent compositions are varied. However, in case of 18-solvent ranges having aqueous fluorinated solvent systems (TFE-$H_2O$ and HFIP-$H_2O$) and/or having $Y_{Cl}$ > 2.7 solvent systems, the solvent effect on reactivity for those of 4 are evaluated by the multiple regression analysis as competition with $S_N2$ - type mechanism. And in pure TFE and 97 w/w % HFIP solvents with high $Y_{Cl}$ and weak $N_T$, these solvolyses are understood as reactions which proceed through an ionization ($S_N1$) pathway.

The Gas Liquid Partition Coefficients of Eleven Normal, Branched and Cyclic Alkanes in Sixty Nine Common Organic Liquids II: The Effect of Solvent Structure

  • Cheong, Won-Jo
    • Bulletin of the Korean Chemical Society
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    • v.24 no.8
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    • pp.1207-1210
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    • 2003
  • The effect of solvent structure on the slope in the plot of ln K vs. solute carbon number was examined. It was found that the free energy of methylene group transfer from the gas phase into a solvent was always negative and that the absolute magnitude of interaction free energy between the methylene group and the solvent was always larger than the absolute magnitude of cavity formation free energy of the methylene group in the solvent. Thus, the slope in the plot of ln K vs. solute carbon number was always positive and its value decreases with increase of solvent polarity since the cavity formation energy of the CH₂ unit increases with increase of solvent polarity while the dispersive interaction energy of the CH₂ unit is virtually invariant. We also examined the effect of sequential addition of CH₂ unit to a solvent molecule upon ln K for three homologous series of solvents: n-alkanes, n-alcohols, and n-nitriles. Characteristic trends in the plots of ln K vs. solvent carbon number were observed for individual solvent groups. A decrease of ln K with solvent carbon number was observed for n-alkanes. An abrupt increase in ln K followed by levelling off was observed for n-alcohols while a final slight decrease in ln K after an abrupt increase followed by rapid levelling off was noted for n-nitriles. All of theses phenomena were found related to variation in cavity formation energy. It was clearly shown that a structural change of a polar solvent by sequential addition of CH₂ units causes an abrupt polarity decrease initially, then gradual levelling off, and finally, conversion to a virtually nonpolar solvent if enough CH₂ units are added.

The Effects of Polar Compounds on the Rate of Dye Exhaustion in Solvent Dyeing (용제염색에서 극상 화합물이 염착속도에 미치는 영향)

  • 이대수;안태환
    • Textile Coloration and Finishing
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    • v.2 no.1
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    • pp.21-30
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    • 1990
  • In order to obtain high dye uptake initially, polyethylene terephthalate (PET) filaments were dyed with C.I.Disperse Orange 3 and Red 1 in mixed solvents of tetrachloroethylene acidic solvent, ethyl alcohol and tetrachloroethylene basic solvent, DMF. The dyeing behavior in the mixed solvent of tetrachloroethylene and basic solvent, DMF, the initial uptake of disperse dyes increased rapidly. The shrinkage of PET increased when the solubility parameter values of PET fiber and mixed solvent approached graduately.

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Solvent Tolerant Bacteria and Their Potential Use (유기용매 내성 세균과 이용가능성)

  • Joo, Woo Hong
    • Journal of Life Science
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    • v.25 no.12
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    • pp.1458-1469
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    • 2015
  • Many organic solvent-tolerant bacteria have been isolated from all environments such as soil, waste-water, even deep sea after first isolation report of organic solvent-tolerant bacterium. Most organic solvent- tolerant isolates have been determined to be Gram-negative bacteria, because Gram-negative bacteria have inherent tolerance property toward hostile organic solvents more than Gram-positive bacteria. The mechanisms of organic solvent tolerance have been elucidated extensively using mainly organic solvent-tolerant Gram-negative bacteria. The solvent-tolerance mechanisms in Gram-positive bacteria can be found in comparatively recent research. Organic solvents exhibited different toxicity depending on the solvent, and the tolerance levels of organic solvent-tolerant bacteria toward organic solvents were also highly changeable among species and strains. Therefore, organic solvent-tolerant bacteria could coped with solvent toxicity and adapted to solvent stress through the multifactorial and multigenic adaptative strategies. They could be survived even in the hyper concentrations of organic solvents by mechanisms which include: changes in cell morphology and cell behaviour, cell surface modifications, cell membrane adaptations, solvent excretion pumps, chaperones and anti-oxidative response. The aim of this work is to review the representative solvent tolerant bacteria and the adaptative and tolerance strategies toward organic solvents in organic solvent-tolerant bacteria, and their potential industrial and environmental impact.