• Title/Summary/Keyword: Solvent effects

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Selectivity of between K+ and Na+ Ions to 12-Crown-4: QSPR Analysis by a Monte Carlo Simulation Study

  • Kim, Hag-Sung
    • Bulletin of the Korean Chemical Society
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    • v.29 no.2
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    • pp.431-437
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    • 2008
  • The solvent effects on the relative free energies of binding of K+ and Na+ ions to 12-crown-4 and Dlog Ks (the difference of stability constant of binding) have been investigated by a Monte Carlo simulation of statistical perturbation theory (SPT) in several solvents. Comparing the relative free energies of binding of K+ and Na+ ions to 12-crown-4, in CH3OH of this study with experimental works, there is a good agreement among the studies. We have reported here the quantitative solvent-polarity relationships (QSPR) studied on the solvent effects the relative free energies of binding of K+ and Na+ ions to 12-crown-4. We noted that DN(donor number) dominates the differences in relative solvation Gibbs free energies of K+ and Na+ ions and DN dominates the negative values in differences in the stability constant (Dlog Ks) as well as the relative free energies of binding of K+ and Na+ ions to 12-crown-4 and p* (Kamlet-Tafts solvatochromic parameters) dominates the positive values in differences in the stability constant (Dlog Ks) as well as the relative free energies of binding of K+ and Na+ ions to 12-crown-4.

Polymer Dielectrics and Orthogonal Solvent Effects for High-Performance Inkjet-Printed Top-Gated P-Channel Polymer Field-Effect Transistors

  • Baeg, Kang-Jun;Khim, Dong-Yoon;Jung, Soon-Won;Koo, Jae-Bon;You, In-Kyu;Nah, Yoon-Chae;Kim, Dong-Yu;Noh, Yong-Young
    • ETRI Journal
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    • v.33 no.6
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    • pp.887-896
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    • 2011
  • We investigated the effects of a gate dielectric and its solvent on the characteristics of top-gated organic field-effect transistors (OFETs). Despite the rough top surface of the inkjet-printed active features, the charge transport in an OFET is still favorable, with no significant degradation in performance. Moreover, the characteristics of the OFETs showed a strong dependency on the gate dielectrics used and its orthogonal solvents. Poly(3-hexylthiophene) OFETs with a poly(methyl methacrylate) dielectric showed typical p-type OFET characteristics. The selection of gate dielectric and solvent is very important to achieve high-performance organic electronic circuits.

Solvent-Induced Photoemissions of High-Energy Chromophores of Conjugated Polymer MEH-PPV: Role of Conformational Disorder

  • Traiphol, Rakchart;Charoenthai, Nipaphat
    • Macromolecular Research
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    • v.16 no.3
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    • pp.224-230
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    • 2008
  • This study examined the photoemission behaviors of isolated chains of poly[2-methoxy, 5-(2'-ethylhexyloxy)-1,4-phenylenevinylene](MEH-PPV) dispersed in various solvents including dichloromethane, chloroform and tetrahydrofuran(THF). A change in polymer-solvent interactions in these solutions caused the MEH-PPV chains to adopt different local conformations, which in turn affected their radiative de-excitation pathways. For the polymer in dichloromethane and chloroform, in which the conjugated chains are relatively extended, photoemission occurs mostly at the long chromophores with lowest HOMO-LUMO energy gap. Their emission spectra showed a main peak at ${\sim}560\;nm$. Dual photoemission of high- and low-energy chromophores was observed when the conjugated chains were forced to partially collapse in a poor solvent THF. Novel high-energy peaks and a typical low-energy peak were detected at ${\sim}414\;nm$ and ${\sim}554\;nm$, respectively. The observation of the high-energy peaks indicates significant suppression of the intrachain energy transfer process, which was attributed to the increase in conformational disorder in the partially collapsed coils. An analysis of the excitation spectra suggests that the high-energy peaks belong to short chromophores constituting of one or two repeat units. This study systematically investigated the effects of polymer concentration, temperature and single bond defects along the backbone on the photoemission of the high-energy chromophores.

Solvent Vapor Annealing Effects in Contact Resistances of Zone-cast Benzothienobenzothiophene (C8-BTBT) Transistors

  • Kim, Chaewon;Jo, Anjae;Kim, Heeju;Kim, Miso;Lee, Jaegab;Lee, Mi Jung
    • Journal of the Korean Ceramic Society
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    • v.53 no.4
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    • pp.411-416
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    • 2016
  • Benzothienobenzothiophene ($C_8-BTBT$) is a soluble organic small molecule material with high crystallinity resulting from its strong self-organizing properties. In addition, the high mobility and easy fabrication of $C_8-BTBT$ make it very attractive in terms of organic thin-film transistors. In this work, we made $C_8-BTBT$ thin films by using the zone-casting method; we also used an organic solvent to treat the devices with solvent vapor annealing to improve the electrical properties. As a result, we confirmed improved mobility, threshold voltage, and subthreshold swing after solvent vapor annealing. To prove the effect of solvent vapor annealing, we used the simultaneous extraction model to extract the contact resistance from the current-voltage curve. We confirmed that the electrical properties improved with decreasing contact resistance.

Rheology of Slurries and Effects of Polymer Volume Ratio in Aqueous PZT Tape Casting

  • Yoon, Seok-Jin;Shin, Hyo-Soon;Lee, Dong-Kyun;Kang, Chong-Yun;Park, Ji-Won;Kim, Hyun-Jai
    • The Korean Journal of Ceramics
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    • v.7 no.1
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    • pp.16-19
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    • 2001
  • For the fast dry of the aqueous tape, the process which water was reaplaced by organic solvent was proposed. Socalled, it was the solvent washing dry. Three organic solvents (methanol, ethanol and acetone) were selected for the washing solvent. The weight loss of the washed tapes was measured to evaluate the dry rate of the tapes and dried tapes were examined the generation of the cracks with the variations of the organic solvent and the washing time. Methanol, ethanol and acetone were available organic solvents for this method. The tapes washed in methanol, ethanol and acetone were dried rapidly for twenty minutes. After thirty minutes, the weight losses were not found any more, The solvent of the lower surface tension can decreases the crack of dried tape. If solvent substitutes water completely, though it was fast dried, crack can be eliminated.

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Effect of Solvent Mixture on the Properties of LTCC Slurry and Green Sheets (LTCC 슬러리 및 그린시트의 물성 변화에 미치는 혼합용매 조성의 영향)

  • Cho, Beom-Joon;Park, Eun-Tae
    • Korean Journal of Materials Research
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    • v.16 no.9
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    • pp.533-537
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    • 2006
  • The effects of binary solvent mixtures with various ratios of toluene and ethanol on the properties of slurries and green sheets were investigated. Viscosity of slurry was changed by varying the ratio of solvent mixture which affected the solubility of binder. The relative solvency behavior of a solvent mixture could be predicted with the Hildebrand solubility parameter(${\delta}$) and hydrogen bonding index( ${\gamma}$). The minimum viscosity, the best dispersion of binder, was reached at the composition of toluene:ethanol=4:6, which corresponded to our forecast. The mechanical properties of green sheets related to evaporation of solvents were influenced by the composition of the solvent mixture. At the azeotrope the skin was formed on a drying cast during the drying process because of fast evaporation. At a range of concentrations over 50wt% toluene, green sheets could not be fully dried at low temperature due to excessive toluene. The mechanical properties of green sheets were excellent at the azeotrope-like composition of toluene:ethanol=4:6 which has a little excess of toluene over the azeotrope.

Screening, Characterization, and Cloning of a Solvent-Tolerant Protease from Serratia marcescens MH6

  • Wan, Mao-Hua;Wu, Bin;Ren, Wei;He, Bing-Fang
    • Journal of Microbiology and Biotechnology
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    • v.20 no.5
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    • pp.881-888
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    • 2010
  • solvent-tolerant bacterium strain, MH6, was isolated by hydrophilic organic solvent DMSO enrichment in the medium and identified as Serratia marcescens. The extracellular protease with novel organic-solvent-stable properties from strain MH6 was purified and characterized. The molecular mass of the purified protease was estimated to be 52 kDa on SDS-PAGE. The open reading frame (ORF) of the MH6 protease encoded 504 amino acids with 471 amino acid residues in the mature protease. Based on the inhibitory effects of EDTA and 1,10-phenathroline, the MH6 protease was characterized as a metalloproteinase. The enzyme activity was increased in the presence of $Ni^{2+}$, $Mg^{2+}$, and $Ca^{2+}$. The protease could also be activated by the nonionic surfactants Tween 80 (1.0%) and Triton X-100 (1.0%). The protease showed remarkable solvent stability in the presence of 50% (v/v) solutions of long-chain alkanes and long-chain alcohols. It was also fairly stable in the presence of 25% solutions of hydrophilic organic solvents. Owing to its high stability in solvents and surfactants, the MH6 protease is an ideal candidate for applications in organic catalysis and other related fields.

Optimization of Oil from Moringa oleifera seed using Soxhlet Extraction method

  • Ojewumi, M.E.;Oyekunle, D.T.;Emetere, M.E.;Olanipekun, O.O.
    • The Korean Journal of Food & Health Convergence
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    • v.5 no.5
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    • pp.11-25
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    • 2019
  • Extraction of oil from Moringa oleifera seed using Response Surface Methodology (RSM) was investigated. Effects of three factors namely: sample mass, particle size and extraction time on the response, Moringa oleifera a volume extracted, were determined. The Box-Behnken design of RSM was employed which resulted in 15 experimental runs. Extraction was carried out in a 250 ml Soxhlet extractor with Hexane and Ethanol as solvent. The Moringa oleifera seed powder was packed inside a muslin cloth placed in a thimble of the Soxhlet extractor. The extraction was carried out at 60℃ using thermostatic heating mantle. The solvent in the extracted oil was evaporated and the resulting oil further dried to constant weight in the oven. This study demonstrates that Moringa oleifera oil can be extracted from its seed using ethanol and acetone as extraction solvent. The optimum process variables for both solvent (ethanol and acetone) was determined at sample weight of 40 g, particle size of 325 ㎛ and extraction time of 8 hours. It can be deduced that using acetone as solvent produces a higher yield of oil at the same optimum variable conditions compared to when ethanol was used.

Anti-aging Effects of Solvent Fraction from Agrimonia pilosa L. Extracts (선학초 용매 분획물의 항노화 효과)

  • Yoon, Ji-Young;Lee, Soo-Yeon;Jun, Hye-Ji;Lee, Jin-Young
    • Journal of Applied Biological Chemistry
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    • v.55 no.1
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    • pp.35-39
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    • 2012
  • The purpose of this study was to research about the ingredients for anti-oxidation and anti-wrinkle effects of the solvent fractions from Agrimonia pilosa L. hot water (AW) and 70% ethanol (AE) extracts. The electron donating ability of the solvent fractions from AW and AE extracts showed 84.9, 92.5% in ethyl acetate layer of AW and AE at 1,000 ppm. The superoxide dismutase like activity of solvent fractions from AW and AE extracts showed 61.8% in ethyl acetate layer of AW extracts and 58.0% in buthanol layer of AE extracts at 1,000 ppm. For anti-wrinkle effect, elastase inhibition effect of the solvent fractions from AW and AE extracts showed 55.2, 70.1% in ethyl acetate layer of AW and AE extracts at 1,000 ppm. And collagenase inhibition effect of the solvent fractions from AW and AE extracts showed highest inhibition effect as 90.6% in ethyl acetate layer of AW extract and 88.6% in $n$-butyl alcohol layer of AE extract at 1,000 ppm. All these findings suggested that solvent fractions from AW and AE extracts has an anti-oxidation and anti-wrinkle effects.

Effects of generalized-Born implicit solvent models in NMR structure refinement

  • Jee, Jun-Goo
    • Journal of the Korean Magnetic Resonance Society
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    • v.17 no.1
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    • pp.11-18
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    • 2013
  • Rapid advances of computational power and method have made it practical to apply the time-consuming calculations with all-atom force fields and sophisticated potential energies into refining NMR structure. Added to the all-atom force field, generalized-Born implicit solvent model (GBIS) contributes substantially to improving the qualities of the resulting NMR structures. GBIS approximates the effects that explicit solvents bring about even with fairly reduced computational times. Although GBIS is employed in the final stage of NMR structure calculation with experimental restraints, the effects by GBIS on structures have been reported notable. However, the detailed effect is little studied in a quantitative way. In this study, we report GBIS refinements of ubiquitin and GB1 structures by six GBIS models of AMBER package with experimental distance and backbone torsion angle restraints. Of GBIS models tested, the calculations with igb=7 option generated the closest structures to those determined by X-ray both in ubiquitin and GB1 from the viewpoints of root-mean-square deviations. Those with igb=5 yielded the second best results. Our data suggest that the degrees of improvements vary under different GBIS models and the proper selection of GBIS model can lead to better results.